EUbOPEN: Enabling and Unlocking biology in the OPEN

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

300 proteins purified in year 1

1,500 proteins purified at a rate of approximately 300 per year (reported at M12, M36, M60). Expression constructs and proteins will be produced by UOXF, GUF, KI, UNIVDUN, LUMC, with contributions from EFPIA and Associated Partners where applicable.

Applied to ≥2 new chemical series in year 3

First version of platform for automated compound synthesis applied to 2 new scaffoldsyear M36 M60

Additional ten PCAs established and/or optimised (20 in total)

Ten PCAs established and/or optimised (20 in total, 10 by month 24 and additional 10 by month 48).

Family wide screening platform for kinases using NanoBRET or ABPP technology

Family wide screening platform for kinases and one new family using NanoBRET or ABPP technology M24 M60

40 CRISPR knockout cell lines in year 1

40 CRISPR knockout cell lines per year (total 160) (M12, M36, M48).

First set of community engagement events or symposium held

Community engagement events and symposia held

Deposit intermediate set of data in sustainable resources
Evaluation of Raman assays and establishment of protocols in cell culture and patient-derived tissues

Evaluation of Raman assays and establishment of protocols in cell culture and patient-derived tissues.

Data for initial CG set released

Data for each Chemogenomic set release in EUbOPEN gateway Zenodo

50 targets enabled with in vitro assays and 30 targets with cellular assays

D5.1 250 targets enabled with assays for chemical probe discovery and optimisation at a rate of approximately 50 per year and 150 targets enabled with an in-cell target engagement assay at a rate of about 30 per year (M12, M36, M60).

EUbOPEN database gateway development

EUbOPEN database gateway specification and further development

Acquisition of > 500 compounds for CGL covering >250 targets

Acquisition of CG compounds (500 compounds/year) from commercial sources, academic partners and EFPIA.

EUbOPEN database gateway specification

EUbOPEN database gateway specification and further development.

Guiding principles for global network with similar organisations

Guiding principles for global network with similar organisations.

Five aggregated, anonymized and quality assured screening data sets released to the public

Five aggregated anonymized and quality assured screening data sets released to the public on annual basis through project website and other dissemination channels

20 recombinant antibodies or binders in year 2 and 3

50 recombinant antibodies or other binders at a rate of about 10 per year reported at M12 M36 M60 Binders will be generated by KI and ReSOLUTE with donations from Pharma partners

100 protein structures in year 1

100 protein structures in year 1.

Standardized chip design and processing established

Standardized chip design and processing established.

20 CP in year 1

20 EUbOPEN-generated CPs in year 1, including EFPIA contributions and jointly generated CPs as well as contributions from other scientists outside EUbOPEN.

First version of platform for automated compound synthesis

First version of platform for automated compound synthesis M24

Additional five aggregated, anonymized and quality assured screening data sets released to the public

Five aggregated anonymized and quality assured screening data sets released to the public on annual basis through project website and other dissemination channels

First EUbOPEN website review and development

EUbOPEN website development with regular reviews and updates

Update on web-based internal database system development

Webbased internal database system implementation and development

Intermediate release of curated CG compound profiling data

Release of curated CGL profiling data

First review of data ontology

Data ontology defined by working group and regularly reviewed

Acquisition of > 2,000 compounds for CGL covering >750 new targets

Acquisition of CG compounds (500 compounds/year) from commercial sources, academic partners and EFPIA.

Web-based internal database system initial implementation

Web-based internal database system implementation and development.

LiP-MS or BioID datasets of ≥10 probe-cell interactions

LiPMS datasets of 5 probecell interactionsyear M36 M60

Agreed quality control criteria approved by JMC

Agreed quality control criteria approved by JMC.

Ten PCAs established and/or optimised (20 in total)

Ten PCAs established andor optimised 20 in total 10 by month 24 and additional 10 by month 48

>1500 novel CG compounds sourced

At least 1500 CG compounds sourced or synthesised .

600 proteins purified in year 2 and 3

1500 proteins purified at a rate of approximately 300 per year reported at M12 M36 M60 Expression constructs and proteins will be produced by UOXF GUF KI UNIVDUN LUMC with contributions from EFPIA and Associated Partners where applicable

Data ontology defined by working group

Data ontology defined by working group.

A total of fifteen aggregated, anonymized and quality assured screening data sets released to the public

Five aggregated, anonymized and quality assured screening data sets released to the public on annual basis through project website and other dissemination channels.

40 CP in year 2 and 3

40 EUbOPENgenerated CPs in year 2 and 3 to a total of 60 CPs The CPs will include EFPIA contributions and jointly generated CPs as well as contributions from other scientists outside EUbOPEN

10 recombinant antibodies or binders in year 1

50 recombinant antibodies or other binders at a rate of about 10 per year (reported at M12, M36, M60). Binders will be generated by KI and ReSOLUTE with donations from Pharma partners.

Data deposition of genome/proteome wide analysis for >60 CG compounds

Genomeproteome wide analysis of subset of CG compounds 150 in total and deposition of data in sustainable resources M24 M60

100 targets enabled with in vitro assays and 60 targets with cellular assays in year 2 and 3

D51 250 targets enabled with assays for chemical probe discovery and optimisation at a rate of approximately 50 per year and 150 targets enabled with an incell target engagement assay at a rate of about 30 per year M12 M36 M60

Steady state sample access (1-2 per week) from IBD and CRC

Steady state sample access (1-2 per week) from IBD and CRC.

Establish data publication standard and database
200 protein structures in years 2 and 3

200 protein structures in year 2 and 3

Assembly of expanded reaction toolkit and fragment set for plate-based chemistry

Assembly of expanded reaction toolkit and fragment set for platebased chemistry

New protein family sentinel selectivity panel

New protein family sentinel selectivity panel for three families

Initial protocols made openly available through portal and public databases

Protocols made openly available through portal and public databases

Partnerships with >25 international partners

Partnerships with 25 international organisations with efforts in screening assay development patientderived cell assays chemical screening chemical probe generation and compound profiling established

80 CRISPR knockout cell lines in years 2 and 3

40 CRISPR knockout cell lines per year total 160 M12 M36 M48

Online compound ordering system for the public

Online compound ordering system for the public operational.

EUbOPEN website implementation

EUbOPEN website development with regular reviews and updates (M3, M36, M60).

Define criteria for compounds of CGL

The criteria underlying the list of targets to be covered by the CGL will be defined by the JMC and TPN (M3), and surveyed in regular meetings to govern the activities of Pillar 1.

Define target list of 1,000 targets

Defined target list of 1,000 proteins covered by the CGL.

Revised target list

The target list will be revised during the project.

Distribution of additionally approved CG sets and CP

Additionally approved CGs and CPs will be assembled and released with appropriate instructions to the public.

Extended FRAGALYSIS cloud infrastructure for in silico compound design

Extended FRAGALYSIS cloud infrastructure for in silico compound design Comprehensive compound prioritisation based on commercially available compounds

Extended FRAGALYSIS cloud infrastructure for de novo compound design

FRAGALYSIS de novo compound design interface compatible with platforms for automated compound synthesis.

Distribution of approved CG sets and CP

Newly approved CGs and CPs will be assembled and released with appropriate instructions to the public.

Publications

Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family

Author(s): Chaikuad A, Zhubi R, Tredup C, Knapp S.
Published in: IUCr, 2022, ISSN 2052-2525
Publisher: IUCr Journals
DOI: 10.1107/s2052252522008582

A guide to selecting high-performing antibodies for STING1 (Uniprot ID: Q86WV6) for use in western blot, immunoprecipitation, and immunofluorescence

Author(s): Vera Ruíz Moleón, Charles Alende, Maryam Fotouhi, Riham Ayoubi, Kathleen Southern, Carl Laflamme, null null, null null
Published in: F1000Research, Issue 13, 2025, Page(s) 1049, ISSN 2046-1402
Publisher: F1000 Research Ltd.
DOI: 10.12688/f1000research.155929.2

Technologies for Direct Detection of Covalent Protein–Drug Adducts

Author(s): Elma Mons, Robbert Q. Kim, Monique P. C. Mulder
Published in: Pharmaceuticals, 2023, ISSN 1424-8247
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ph16040547

DIP-MS: ultra-deep interaction proteomics for the deconvolution of protein complexes

Author(s): Frommelt F, Fossati A, Uliana F, Wendt F, Xue P, Heusel M, Wollscheid B, Aebersold R, Ciuffa R, Gstaiger M.
Published in: Nat Methods, 2024, ISSN 1548-7091
Publisher: Nature Publishing Group
DOI: 10.1038/s41592-024-02211-y

The Pan-Canadian Chemical Library: A Mechanism to Open Academic Chemistry to High-Throughput Virtual Screening

Author(s): Corentin Bedart, Grace Shimokura, Frederick G. West, Tabitha E. Wood, Robert A. Batey, John J. Irwin, Matthieu Schapira
Published in: Scientific Data, Issue 11, 2024, ISSN 2052-4463
Publisher: Springer Science and Business Media LLC
DOI: 10.1038/s41597-024-03443-5

Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile-Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.

Author(s): Zhou J, Horton JR, Menna M, Fiorentino F, Ren R, Yu D, Hajian T, Vedadi M, Mazzoccanti G, Ciogli A, Weinhold E, HÃ¼ben M, Blumenthal RM, Zhang X, Mai A, Rotili D, Cheng X
Published in: J Med Chem, 2022, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01789

Synthesis and functional screening of novel inhibitors targeting the HDAC6 zinc finger ubiquitin-binding domain

Author(s): Silke Geurs, Eleni Staessens, Kato Bredael, Stefaan Borghgraef, Jordy De Ridder, Leentje Persoons, Steven De Jonghe, Dominique Schols, Mandeep K. Mann, Rachel J. Harding, Jorick Franceus, Tom Desmet, Kristof Van Hecke, Dorien Clarisse, Karolien De Bosscher, Matthias D'hooghe
Published in: European Journal of Medicinal Chemistry, Issue 285, 2025, Page(s) 117208, ISSN 0223-5234
Publisher: Elsevier BV
DOI: 10.1016/j.ejmech.2024.117208

Building ubiquitination machineries: E3 ligase multi-subunit assembly and substrate targeting by PROTACs and molecular glues

Author(s): Sarath Ramachandran, Alessio Ciulli
Published in: Current Opinion in Structural Biology, Issue 67, 2021, Page(s) 110-119, ISSN 0959-440X
Publisher: Elsevier BV
DOI: 10.1016/j.sbi.2020.10.009

Quantitative Hydrogen–Deuterium Exchange Mass Spectrometry for Simultaneous Structural Characterization and Affinity Indexing of Single Target Drug Candidate Libraries

Author(s): Esther Wolf, Oleksandra Herasymenko, Maria Kutera, Cristina Lento, Cheryl Arrowsmith, Suzanne Ackloo, Derek Wilson
Published in: Analytical Chemistry, Issue 96, 2024, Page(s) 13015-13024, ISSN 0003-2700
Publisher: American Chemical Society
DOI: 10.1021/acs.analchem.4c01001

Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.

Author(s): Rohm, S., Berger, B. T., Schroder, M., Chatterjee, D., Mathea, S., Joerger, A. C., Pinkas, D. M., Bufton, J. C., Tjaden, A., Kovooru, L., Kudolo, M., Pohl, C., Bullock, A. N., Muller, S., Laufer, S. and Knapp, S
Published in: J Med Chem., 2021, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.1c00868

Serine phosphorylation facilitates protein degradation by the human mitochondrial ClpXP protease

Author(s): Yue Feng, Monica M. Goncalves, Yulia Jitkova, Alexander F. A. Keszei, Yongran Yan, Chaitra Sarathy, Jonathan St-Germain, Tristan M. G. Kenney, Matthew Tcheng, Vincent Trudel, Ross S. Mancini, Rahul Upadhyay, Rose Hurren, Marcela Gronda, Matthew Schultz, Kaylen Soriano, Kaitlin Lees, Neil C. Pomroy, S. Quinn W. Currie, Gilbert G. Privé, Mark A. Reed, Andrei K. Yudin, Linda Z. Penn, Cheryl H. Arrow
Published in: Proceedings of the National Academy of Sciences, Issue 122, 2025, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2422447122

Development and Characterization of Type I, Type II, and Type III LIM-Kinase Chemical Probes

Author(s): Hanke T, Mathea S, Woortman J, Salah E, Berger BT, Tumber A, Kashima R, Hata A, Kuster B, Müller S, Knapp S. J Med Chem 2022.
Published in: Journal of Medicinal Chemistry, 2022, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01106

Macrocycle-based PROTACs selectively degrade cyclophilin A and inhibit HIV-1 and HCV

Author(s): Lydia S. Newton, Clara Gathmann, Sophie Ridewood, Robert J. Smith, Andre J. Wijaya, Thomas W. Hornsby, Kate L. Morling, Dara Annett, Riccardo Zenezini Chiozzi, Ann-Kathrin Reuschl, Morten L. Govasli, Ying Ying Tan, Lucy G. Thorne, Clare Jolly, Konstantinos Thalassinos, Alessio Ciulli, Greg J. Towers, David L. Selwood
Published in: Nature Communications, Issue 16, 2025, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-025-56317-8

Mechanism and evolutionary origins of alanine-tail C-degron recognition by E3 ligases Pirh2 and CRL2-KLHDC10.

Author(s): Patil PR, Burroughs AM, Misra M, Cerullo F, Costas-Insua C, Hung HC, Dikic I, Aravind L, Joazeiro CAP
Published in: Cell Rep, 2023, ISSN 2211-1247
Publisher: Cell Press
DOI: 10.1016/j.celrep.2023.113100

Big data and benchmarking initiatives to bridge the gap from AlphaFold to drug design

Author(s): Matthieu Schapira, Levon Halabelian, Cheryl H. Arrowsmith, Rachel J. Harding
Published in: Nature Chemical Biology, Issue 20, 2024, Page(s) 937-940, ISSN 1552-4450
Publisher: Nature Publishing Group
DOI: 10.1038/s41589-024-01570-z

Breaking free from the crystal lattice: Structural biology in solution to study protein degraders

Author(s): Kevin Haubrich; Valentina A. Spiteri; William Farnaby; Frank Sobott; Alessio Ciulli
Published in: Crossref, Issue 2, 2023, ISSN 0346-251X
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.sbi.2023.102534

Ubiquitin ligases: guardians of mammalian development

Author(s): Cruz Walma, D. A., Chen, Z., Bullock, A. N. and Yamada, K. M
Published in: Nat Rev Mol Cell Biol, 2022, ISSN 1471-0072
Publisher: Nature Publishing Group
DOI: 10.1038/s41580-021-00448-5

Hepatic miR-144 Drives Fumarase Activity Preventing NRF2 Activation During Obesity

Author(s): Azzimato, V., Chen, P., Barreby, E., Morgantini, C., Levi, L., Vankova, A., ... & Aouadi, M.
Published in: Gastroenterology, 2021, ISSN 0016-5085
Publisher: W. B. Saunders Co., Ltd.
DOI: 10.1053/j.gastro.2021.08.030

Revisiting huntingtin activity and localization signals in the context of protein structure

Author(s): Ray Truant, Rachel J Harding, Kaitlyn Neuman, Tamara Maiuri
Published in: Journal of Huntington's Disease, Issue 13, 2025, Page(s) 419-430, ISSN 1879-6397
Publisher: IOS Press
DOI: 10.1177/18796397241295303

Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.

Author(s): Fraser BJ, Beldar S, Seitova A, Hutchinson A, Mannar D, Li Y, Kwon D, Tan R, Wilson RP, Leopold K, Subramaniam S, Halabelian L, Arrowsmith CH, BÃ©nard F
Published in: Nat Chem Biol, 2022, ISSN 1552-4450
Publisher: Nature Publishing Group
DOI: 10.1038/s41589-022-01059-7

A data science roadmap for open science organizations engaged in early-stage drug discovery

Author(s): Kristina Edfeldt, Aled M. Edwards, Ola Engkvist, Judith Günther, Matthew Hartley, David G. Hulcoop, Andrew R. Leach, Brian D. Marsden, Amelie Menge, Leonie Misquitta, Susanne Müller, Dafydd R. Owen, Kristof T. Schütt, Nicholas Skelton, Andreas Steffen, Alexander Tropsha, Erik Vernet, Yanli Wang, James Wellnitz, Timothy M. Willson, Djork-Arné Clevert, Benjamin Haibe-Kains, Lovisa Holmberg Schia
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-49777-x

Benchmarking Methods for PROTAC Ternary Complex Structure Prediction

Author(s): Evianne Rovers, Matthieu Schapira
Published in: Journal of Chemical Information and Modeling, Issue 64, 2024, Page(s) 6162-6173, ISSN 1549-9596
Publisher: American Chemical Society
DOI: 10.1021/acs.jcim.4c00426

The ethnogeographic variability of genetic factors underlying G6PD deficiency

Author(s): Koromina, M., Pandi, M. T., van der Spek, P. J., Patrinos, G. P., & Lauschke, V. M.
Published in: Pharmacological Research, 2021, ISSN 1043-6618
Publisher: Academic Press
DOI: 10.1016/j.phrs.2021.105904

Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.

Author(s): Michel M, Benítez-Buelga C, Calvo PA, Hanna BMF, Mortusewicz O, Masuyer G, Davies J, Wallner O, Sanjiv K, Albers JJ, Castañeda-Zegarra S, Jemth AS, Visnes T, Sastre-Perona A, Danda AN, Homan EJ, Marimuthu K, Zhenjun Z, Chi CN, Sarno A, Wiita E, von Nicolai C, Komor AJ, Rajagopal V, Müller S, Hank EC, Varga M, Scaletti ER, Pandey M, Karsten S, Haslene-Hox H, Loevenich S, Marttila P, Rasti A, Mam
Published in: Science, 2023, ISSN 0036-8075
Publisher: American Association for the Advancement of Science
DOI: 10.1126/science.abf8980

Population-scale predictions of DPD and TPMT phenotypes using a quantitative pharmacogene-specific ensemble classifier

Author(s): Yitian Zhou, Carolina Dagli Hernandez, Volker M. Lauschke
Published in: British Journal of Cancer, Issue 123/12, 2020, Page(s) 1782-1789, ISSN 0007-0920
Publisher: Nature Publishing Group
DOI: 10.1038/s41416-020-01084-0

ATPase activity profiling of three human DExD/H-box RNA helicases

Author(s): Fengling Li, U Hang Chan, Julia Garcia Perez, Hong Zeng, Irene Chau, Yanjun Li, Almagul Seitova, Levon Halabelian
Published in: SLAS Discovery, Issue 32, 2025, Page(s) 100229, ISSN 2472-5552
Publisher: Elsevier BV
DOI: 10.1016/j.slasd.2025.100229

A guide to selecting high-performing antibodies for Huntingtin (UniProt ID: P42858) for use in western blot, immunoprecipitation, and immunofluorescence

Author(s): Rebeka Fanti, Riham Ayoubi, Charles Alende, Maryam Fotouhi, Sara González Bolívar, Renu Chandrasekaran, Kathleen Southern, Aled M. Edwards, Rachel J. Harding, Carl Laflamme, null null, null null
Published in: F1000Research, Issue 13, 2025, Page(s) 922, ISSN 2046-1402
Publisher: F1000 Research Ltd.
DOI: 10.12688/f1000research.153670.2

Harnessing CD3 diversity to optimize CAR T cells.

Author(s): Velasco Cárdenas RM, Brandl SM, Meléndez AV, Schlaak AE, Buschky A, Peters T, Beier F, Serrels B, Taromi S, Raute K, Hauri S, Gstaiger M, Lassmann S, Huppa JB, Boerries M, Andrieux G, Bengsch B, Schamel WW, Minguet S.
Published in: Nat Immunol., 2024, ISSN 1529-2908
Publisher: Nature Publishing Group
DOI: 10.1038/s41590-023-01658-z

Histone lysine methacrylation is a dynamic post-translational modification regulated by HAT1 and SIRT2

Author(s): Delaney K, Tan M, Zhu Z, Gao J, Dai L, Kim S, Ding J, He M, Halabelian L, Yang L, Nagarajan P, Parthun MR, Lee S, Khochbin S, Zheng YG, Zhao Y
Published in: Cell Discov, 2022, ISSN 2056-5968
Publisher: Nature Publishing Group
DOI: 10.1038/s41421-021-00344-4

PRMT inhibition induces a viral mimicry response in triple-negative breast cancer.

Author(s): Wu Q, Nie DY, Ba-Alawi W, Ji Y, Zhang Z, Cruickshank J, Haight J, Ciamponi FE, Chen J, Duan S, Shen Y, Liu J, Marhon SA, Mehdipour P, Szewczyk MM, Dogan-Artun N, Chen W, Zhang LX, Deblois G, Prinos P, Massirer KB, Barsyte-Lovejoy D, Jin J, De Carvalho DD, Haibe-Kains B, Wang X, Cescon DW, Lupien M, Arrowsmith CH
Published in: Nature Chemical Biology, 2022, ISSN 1552-4450
Publisher: Nature Publishing Group
DOI: 10.1038/s41589-022-01024-4

Crystal structures of DCAF1-PROTAC-WDR5 ternary complexes provide insight into DCAF1 substrate specificity

Author(s): Mark F. Mabanglo, Brian Wilson, Mahmoud Noureldin, Serah W. Kimani, Ahmed Mamai, Chiara Krausser, Héctor González-Álvarez, Smriti Srivastava, Mohammed Mohammed, Laurent Hoffer, Manuel Chan, Jamie Avrumutsoae, Alice Shi Ming Li, Taraneh Hajian, Sarah Tucker, Stuart Green, Magdalena Szewczyk, Dalia Barsyte-Lovejoy, Vijayaratnam Santhakumar, Suzanne Ackloo, Peter Loppnau, Yanjun Li, Almagul Seito
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-54500-x

Proteomic workflows for deep phenotypic profiling of 3D organotypic liver models

Author(s): Stefania Koutsilieri, Evgeniya Mickols, Ákos Végvári, Volker M Lauschke
Published in: Biotechnol J, 2023, ISSN 1860-6768
Publisher: Wiley - VCH Verlag GmbH & CO. KGaA
DOI: 10.1002/biot.202300684

High-content live-cell multiplex screen for chemogenomic compound annotation based on nuclear morphology

Author(s): Tjaden A, Giessmann RT, Knapp S, Schröder M, Müller S.
Published in: STAR Protoc., 2022, ISSN 2666-1667
Publisher: Cell Press
DOI: 10.1016/j.xpro.2022.101791

The novel adrenergic agonist ATR-127 targets skeletal muscle and brown adipose tissue to tackle diabesity and steatohepatitis

Author(s): Emanuela Talamonti, Jelena Davegardh, Anastasia Kalinovich, Sten M.M. van Beek, Nodi Dehvari, Carina Halleskog, Hamza M. Bokhari, Dana S. Hutchinson, Seungmin Ham, Laura J. Humphrys, Nicola C. Dijon, Aikaterini Motso, Anna Sandstrom, Evelyn Zacharewicz, Ilga Mutule, Edgars Suna, Jana Spura, Karolina Ditrychova, Leigh A. Stoddart, Nicholas D. Holliday, Shane C. Wright, Volker M. Lauschke, Soren Nie
Published in: Molecular Metabolism, Issue 85, 2024, Page(s) 101931, ISSN 2212-8778
Publisher: Elsevier GmbH
DOI: 10.1016/j.molmet.2024.101931

"CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13"

Author(s): Oleksandra Herasymenko, Madhushika Silva, Abd Al-Aziz A. Abu-Saleh, Ayaz Ahmad, Jesus Alvarado-Huayhuaz, Oscar E. A. Arce, Roly J. Armstrong, Cheryl Arrowsmith, Kelly E. Bachta, Hartmut Beck, Denes Berta, Mateusz K. Bieniek, Vincent Blay, Albina Bolotokova, Philip E. Bourne, Marko Breznik, Peter J. Brown, Aaron D. G. Campbell, Emanuele Carosati, Irene Chau, Daniel J. Cole, Ben Cree, Wim Dehaen, Ka
Published in: Journal of Chemical Information and Modeling, Issue 65, 2025, Page(s) 6884-6898, ISSN 1549-9596
Publisher: American Chemical Society
DOI: 10.1021/acs.jcim.5c00535

No shortcuts to SARS-CoV-2 antivirals.

Author(s): Edwards A, Hartung IV
Published in: Science, 2021, ISSN 0036-8075
Publisher: American Association for the Advancement of Science
DOI: 10.1126/science.abj9488

Targeting MYC effector functions in pancreatic cancer by inhibiting the ATPase RUVBL1/2

Author(s): Markus Vogt, Nevenka Dudvarski Stankovic, Yiliam Cruz Garcia, Julia Hofstetter, Katharina Schneider, Filiz Kuybu, Theresa Hauck, Bikash Adhikari, Anton Hamann, Yamila Rocca, Lara Grysczyk, Benedikt Martin, Anneli Gebhardt-Wolf, Armin Wiegering, Markus Diefenbacher, Georg Gasteiger, Stefan Knapp, Dieter Saur, Martin Eilers, Mathias Rosenfeldt, Florian Erhard, Seychelle M Vos, Elmar Wolf
Published in: Gut, Issue 73, 2024, Page(s) 1509-1528, ISSN 0017-5749
Publisher: BMJ Publishing Group
DOI: 10.1136/gutjnl-2023-331519

Chemogenomics for steroid hormone receptors (NR3)

Author(s): Espen Schallmayer, Laura Isigkeit, Lewis Elson, Susanne Müller, Stefan Knapp, Julian A. Marschner, Daniel Merk
Published in: Communications Chemistry, Issue 8, 2025, ISSN 2399-3669
Publisher: Springer Science and Business Media LLC
DOI: 10.1038/s42004-025-01427-z

Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes for Protein Kinases of the PIM Family

Author(s): Olivier E. Nonga, Darja Lavogina, Erki Enkvist, Katrin Kestav, Apirat Chaikuad, Sarah E. Dixon-Clarke, Alex N. Bullock, Sergei Kopanchuk, Taavi Ivan, Ramesh Ekambaram, Kaido Viht, Stefan Knapp, Asko Uri
Published in: Molecules, Issue 26/14, 2021, Page(s) 4353, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26144353

Mutation in Abl kinase with altered drug-binding kinetics indicates a novel mechanism of imatinib resistance

Author(s): Lyczek A, Berger BT, Rangwala AM, Paung Y, Tom J, Philipose H, Guo J, Albanese SK, Robers MB, Knapp S, Chodera JD, Seeliger MA.
Published in: Proc Natl Acad Sci U S A, 2021, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2111451118

RNF8 ubiquitylation of XRN2 facilitates R-loop resolution and restrains genomic instability in BRCA1 mutant cells

Author(s): Rehna Krishnan, Mariah Lapierre, Brandon Gautreau, Kevin C J Nixon, Samah El Ghamrasni, Parasvi S Patel, Jun Hao, V Talya Yerlici, Kiran Kumar Naidu Guturi, Jonathan St-Germain, Francesca Mateo, Amine Saad, Arash Algouneh, Rebecca Earnshaw, Duan Shili, Alma Seitova, Joshua Miller, Negin Khosraviani, Adam Penn, Brandon Ho, Otto Sanchez, M Prakash Hande, Jean-Yves Masson, Grant W Brown, Moulay Alaou
Published in: Nucleic Acids Res, 2023, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkad733

The Kinase Chemogenomic Set (KCGS): An Open Science Resource for Kinase Vulnerability Identification

Author(s): Carrow I. Wells, Hassan Al-Ali, David M. Andrews, Christopher R. M. Asquith, Alison D. Axtman, Ivan Dikic, Daniel Ebner, Peter Ettmayer, Christian Fischer, Mathias Frederiksen, Robert E. Futrell, Nathanael S. Gray, Stephanie B. Hatch, Stefan Knapp, Ulrich Lücking, Michael Michaelides, Caitlin E. Mills, Susanne Müller, Dafydd Owen, Alfredo Picado, Kumar S. Saikatendu, Martin Schröder, Alexandra
Published in: International Journal of Molecular Sciences, Issue 22/2, 2021, Page(s) 566, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22020566

Post-transcriptional and Post-translational Modifications of Primary Cilia: How to Fine Tune Your Neuronal Antenna.

Author(s): Rocha C, Prinos P
Published in: Front Cell Neurosci, 2022, ISSN 1662-5102
Publisher: Frontiers Research Foundation
DOI: 10.3389/fncel.2022.809917

Conformation- and activation-based BRET sensors differentially report on GPCR–G protein coupling

Author(s): Shane C. Wright, Charlotte Avet, Supriya A. Gaitonde, Itziar Muneta-Arrate, Christian Le Gouill, Mireille Hogue, Billy Breton, Stefania Koutsilieri, Rebeca Diez Alarcia, Madeleine Héroux, Volker M. Lauschke, Michel Bouvier
Published in: Science Signaling, Issue 17, 2024, ISSN 1937-9145
Publisher: American Association for the Advancement of Science
DOI: 10.1126/scisignal.adi4747

Challenges and advances for huntingtin detection in cerebrospinal fluid: in support of relative quantification

Author(s): Rachel J. Harding, Yuanyun Xie, Nicholas S. Caron, Hailey Findlay-Black, Caroline Lyu, Nalini Potluri, Renu Chandrasekaran, Michael R. Hayden, Blair R. Leavitt, Douglas R. Langbehn, Amber L. Southwell
Published in: Biomarker Research, Issue 13, 2025, ISSN 2050-7771
Publisher: Springer Science and Business Media LLC
DOI: 10.1186/s40364-025-00772-4

DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity

Author(s): Martin Schröder, Alex N. Bullock, Oleg Fedorov, Franz Bracher, Apirat Chaikuad, Stefan Knapp
Published in: Journal of Medicinal Chemistry, Issue 63/18, 2020, Page(s) 10224-10234, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.0c00898

A ligand discovery toolbox for the WWE domain family of human E3 ligases

Author(s): Lena Münzker, Serah W. Kimani, Milan M. Fowkes, Aiping Dong, Hong Zheng, Yanjun Li, Morgan Dasovich, Krzysztof M. Zak, Anthony K. L. Leung, Jonathan M. Elkins, Dirk Kessler, Cheryl H. Arrowsmith, Levon Halabelian, Jark Böttcher
Published in: Communications Biology, Issue 7, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s42003-024-06584-w

Chemical arsenal for helicase Hunters: Striking the toughest targets in antiviral research

Author(s): Holli-Joi Martin, Mohammad Anwar Hossain, James Wellnitz, Enes Kelestemur, Joshua E. Hochuli, Sumera Perveen, Cheryl Arrowsmith, Timothy M. Willson, Eugene N. Muratov, Alexander Tropsha
Published in: Antiviral Research, Issue 239, 2025, Page(s) 106184, ISSN 0166-3542
Publisher: Elsevier BV
DOI: 10.1016/j.antiviral.2025.106184

Genotoxicity and Epigenotoxicity of Carbazole-Derived Molecules on MCF-7 Breast Cancer Cells

Author(s): Claudio Luparello, Ilenia Cruciata, Andreas C. Joerger, Cory A. Ocasio, Rhiannon Jones, Raysa Khan Tareque, Mark C. Bagley, John Spencer, Martin Walker, Carol Austin, Tiziana Ferrara, Pietro D′Oca, Rossella Bellina, Rossella Branni, Fabio Caradonna
Published in: International Journal of Molecular Sciences, Issue 22/7, 2021, Page(s) 3410, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22073410

Virtual fragment screening for DNA repair inhibitors in vast chemical space

Author(s): Andreas Luttens, Duc Duy Vo, Emma R. Scaletti, Elisée Wiita, Ingrid Almlöf, Olov Wallner, Jonathan Davies, Sara Košenina, Liuzhen Meng, Maeve Long, Oliver Mortusewicz, Geoffrey Masuyer, Flavio Ballante, Maurice Michel, Evert Homan, Martin Scobie, Christina Kalderén, Ulrika Warpman Berglund, Andrii V. Tarnovskiy, Dmytro S. Radchenko, Yurii S. Moroz, Jan Kihlberg, Pål Stenmark, Thomas Helleday,
Published in: Nature Communications, Issue 16, 2025, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-025-56893-9

Autoantibodies against Four-and-a-Half-LIM Domain 1 (FHL1) in Inflammatory Myopathies: Results from an Australian Single-Center Cohort.

Author(s): Galindo-Feria AS, Horuluoglu B, Day J, Fernandes-Cerqueira C, Wigren E, Gräslund S, Proudman S, Lundberg IE, Limaye V
Published in: Rheumatology, 2022, ISSN 1462-0324
Publisher: Oxford University Press
DOI: 10.1093/rheumatology/keac003

Structural insights into a regulatory mechanism of FIR RRM1-FUSE interaction

Author(s): Ni X, Joerger AC, Chaikuad A, Knapp S.
Published in: Open Biol., 2023, ISSN 2046-2441
Publisher: Royal Society Publishing
DOI: 10.1098/rsob.230031

Association of IL2RA and multiple sclerosis risk: A case control, systematic review, and meta-analysis study

Author(s): Fatemeh Rangani, Nahid Rakhshi, Zahra Kadkhoda Mezerji, Asieh Alikhah, Reyhaneh Dehghanzad, Babak Abbasi, Amirhossein Ahmadi, Abbas Nikravesh, Majid Pahlevan Kakhki
Published in: Journal of the Neurological Sciences, Issue 472, 2025, Page(s) 123461, ISSN 0022-510X
Publisher: Elsevier BV
DOI: 10.1016/j.jns.2025.123461

SS148 and WZ16 inhibit the activities of nsp10-nsp16 complexes from all seven human pathogenic coronaviruses.

Author(s): Li F, Ghiabi P, Hajian T, Klima M, Li ASM, Yazdi AK, Chau I, Loppnau P, Kutera M, Seitova A, Bolotokova A, Hutchinson A, Perveen S, Boura E, Vedadi M
Published in: Biochim Biophys Acta, 2023, ISSN 0304-4165
Publisher: Elsevier BV
DOI: 10.1016/j.bbagen.2023.130319

Adjudin improves beta cell maturation, hepatic glucose uptake and glucose homeostasis

Author(s): Lipeng Ren, Jérémie Charbord, Lianhe Chu, Aurino M Kemas, Maria Bertuzzi, Jiarui Mi, Chen Xing, Volker M Lauschke, Olov Andersson
Published in: Diabetologia, 2023, ISSN 0012-186X
Publisher: Springer Verlag
DOI: 10.1007/s00125-023-06020-4

Prediction and Validation of a Protein's Free Energy Surface Using Hydrogen Exchange and (Importantly) Its Denaturant Dependence.

Author(s): Peng X, Baxa M, Faruk N, Sachleben JR, Pintscher S, Gagnon IA, Houliston S, Arrowsmith CH, Freed KF, Rocklin GJ, Sosnick TR
Published in: J Chem Theory Comput, 2021, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.1c00960

Discovery and Characterization of BAY-805, a Potent and Selective Inhibitor of Ubiquitin-Specific Protease USP21

Author(s): Fabian Göricke; Victoria Vu; Leanna Smith; Ulrike Scheib; Raphael Böhm; Namik Akkilic; Gerd Wohlfahrt; Jörg Weiske; Ulf Bömer; Krzysztof Brzezinka; Niels Lindner; Philip Lienau; Stefan Gradl; Hartmut Beck; Peter J. Brown; Vijayaratnam Santhakumar; Masoud Vedadi; Dalia Barsyte-Lovejoy; Cheryl H. Arrowsmith; Norbert Schmees; Kirstin Petersen
Published in: Crossref, Issue 3, 2023, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01933

Editorial: The next generation of tools and technologies for studying human neurons in a dish

Author(s): Thomas M. Durcan and Alison D. Axtman
Published in: Front Cell Neurosci, 2023, ISSN 1662-5102
Publisher: Frontiers Research Foundation
DOI: 10.3389/fncel.2023.1196543

The efflux pump ABCC1/MRP1 constitutively restricts PROTAC sensitivity in cancer cells

Author(s): Gernot Wolf, Conner Craigon, Shao Thing Teoh, Patrick Essletzbichler, Svenja Onstein, Diane Cassidy, Esther C.H. Uijttewaal, Vojtech Dvorak, Yuting Cao, Ariel Bensimon, Ulrich Elling, Alessio Ciulli, Giulio Superti-Furga
Published in: Cell Chemical Biology, Issue 32, 2025, Page(s) 291-306.e6, ISSN 2451-9456
Publisher: Elsevier BV
DOI: 10.1016/j.chembiol.2024.11.009

7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a “Cut and Glue” Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors

Author(s): Mehmet Karatas, Apirat Chaikuad, Bianca Berger, Michael H. G. Kubbutat, Frank Totzke, Stefan Knapp, Conrad Kunick
Published in: Molecules, Issue 26/6, 2021, Page(s) 1611, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26061611

Pharmacogenomics in the era of next generation sequencing – from byte to bedside

Author(s): Laura E. Russell, Yitian Zhou, Ahmed A. Almousa, Jasleen K. Sodhi, Chukwunonso K. Nwabufo, Volker M. Lauschke
Published in: Drug Metabolism Reviews, 2021, Page(s) 1-26, ISSN 0360-2532
Publisher: Marcel Dekker Inc.
DOI: 10.1080/03602532.2021.1909613

Structure and Function of Protein Arginine Methyltransferase PRMT7.

Author(s): Halabelian L, Barsyte-Lovejoy D
Published in: Life (Basel), 2021, ISSN 2075-1729
Publisher: MDPI
DOI: 10.3390/life11080768

Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors of Chikungunya nsP2 Cysteine Protease with Antialphavirus Activity

Author(s): Anirban Ghoshal, Kesatebrhan Haile Asressu, Mohammad Anwar Hossain, Peter J. Brown, Meganathan Nandakumar, Anand Vala, Eric M. Merten, John D. Sears, Isabella Law, Jane E. Burdick, Noah L. Morales, Sumera Perveen, Kenneth H. Pearce, Konstantin I. Popov, Nathaniel J. Moorman, Mark T. Heise, Timothy M. Willson
Published in: Journal of Medicinal Chemistry, Issue 67, 2024, Page(s) 16505-16532, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.4c01346

Scaffold hopping from amodiaquine to novel Nurr1 agonist chemotypes via microscale analogue libraries.

Author(s): Willems, S.; Müller, M.; Ohrndorf, J.; Heering, J.; Proschak, E.; Merk, D.
Published in: ChemMedChem, 2022, ISSN 1860-7179
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/cmdc.202200026

Conformation and dynamics of the kinase domain drive subcellular location and activation of LRRK2

Author(s): Sven H. Schmidt, Jui-Hung Weng, Phillip C. Aoto, Daniela Boassa, Sebastian Mathea, Steve Silletti, Junru Hu, Maximilian Wallbott, Elizabeth A. Komives, Stefan Knapp, Friedrich W. Herberg, Susan S. Taylor
Published in: Proceedings of the National Academy of Sciences, Issue 118/23, 2021, Page(s) e2100844118, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2100844118

Integrated analysis of Shank1 PDZ interactions with C-terminal and internal binding motifs

Author(s): Muhammad Ali, Mishal Mariam McAuley, Susanne Lüchow, Stefan Knapp, Andreas C. Joerger, Ylva Ivarsson
Published in: Current Research in Structural Biology, Issue 3, 2021, Page(s) 41-50, ISSN 2665-928X
Publisher: Elsevier
DOI: 10.1016/j.crstbi.2021.01.001

Disease-associated KBTBD4 mutations in medulloblastoma elicit neomorphic ubiquitylation activity to promote CoREST degradation

Author(s): Chen, Z., Ioris, R. M., Richardson, S., Van Ess, A. N., Vendrell, I., Kessler, B.M., Buffa, F.M., Busino, L., Clifford, S. C., Bullock, A. N. D'Angiolella, V.
Published in: Cell Death Differ., 2022, ISSN 1350-9047
Publisher: Nature Publishing Group
DOI: 10.1038/s41418-022-00983-4

Huntingtin structure is orchestrated by HAP40 and shows a polyglutamine expansion-specific interaction with exon 1.

Author(s): Harding RJ, Deme JC, Hevler JF, Tamara S, Lemak A, Cantle JP, Szewczyk MM, Begeja N, Goss S, Zuo X, Loppnau P, Seitova A, Hutchinson A, Fan L, Truant R, Schapira M, Carroll JB, Heck AJR, Lea SM, Arrowsmith CH
Published in: Commun Biol, 2021, ISSN 2399-3642
Publisher: Springer Nature
DOI: 10.1038/s42003-021-02895-4

Discovery of Nanomolar DCAF1 Small Molecule Ligands.

Author(s): Li ASM, Kimani S, Wilson B, Noureldin M, GonzÃ¡lez-Ãlvarez H, Mamai A, Hoffer L, Guilinger JP, Zhang Y, von Rechenberg M, Disch JS, Mulhern CJ, Slakman BL, Cuozzo JW, Dong A, Poda G, Mohammed M, Saraon P, Mittal M, Modh P, Rathod V, Patel B, Ackloo S, Santhakumar V, Szewczyk MM, Barsyte-Lovejoy D, Arrowsmith CH, Marcellus R, GuiÃ© MA, Keefe AD, Brown PJ, Halabelian L, Al-Awar R, Vedadi M
Published in: Journal of Medicinal Chemistry, 2023, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c02132

Mutation in the Common Docking Domain Affects MAP Kinase ERK2 Catalysis and Stability

Author(s): Novak L, Petrosino M, Pasquo A, Chaikuad A, Chiaraluce R, Knapp S, Consalvi V
Published in: Cancers (Basel), 2023, ISSN 2072-6694
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/cancers15112938

Toxicogenomics of drug induced liver injury – from mechanistic understanding to early prediction.

Author(s): Volker M. Lauschke
Published in: Drug Metabolism Reviews, 2021, Page(s) 1-8, ISSN 0360-2532
Publisher: Marcel Dekker Inc.
DOI: 10.1080/03602532.2021.1894571

De novo design of immunoglobulin-like domains.

Author(s): Chidyausiku TM, Mendes SR, Klima JC, Nadal M, Eckhard U, Roel-Touris J, Houliston S, Guevara T, Haddox HK, Moyer A, Arrowsmith CH, Gomis-RÃ¼th FX, Baker D, Marcos E
Published in: Nat Commun, 2022, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-022-33004-6

Covalent Proximity Scanning of a Distal Cysteine to Target PI3Kα

Author(s): Chiara Borsari, Erhan Keles, Jacob A. McPhail, Alexander Schaefer, Rohitha Sriramaratnam, Wojciech Goch, Thorsten Schaefer, Martina De Pascale, Wojciech Bal, Matthias Gstaiger, John E. Burke, and Matthias P. Wymann
Published in: Journal of the American Chemical Society, 2022, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.1c13568

ProxyBind: A compendium of binding sites for proximity-induced pharmacology.

Author(s): Rovers E, Liu L, Schapira M
Published in: Computational and Structural Biotechnology Journal, 2022, ISSN 2001-0370
Publisher: Elsevier
DOI: 10.1016/j.csbj.2022.11.010

Nurr1 Modulation Mediates Neuroprotective Effects of Statins

Author(s): Sabine Willems, Julian A. Marschner, Whitney Kilu, Giuseppe Faudone, Romy Busch, Silke Duensing-Kropp, Jan Heering, Daniel Merk
Published in: Adv. Sci, 2022, ISSN 2198-3844
Publisher: Willey-VCH
DOI: 10.1002/advs.202104640

A chemical screen identifies PRMT5 as a therapeutic vulnerability for paclitaxel-resistant triple-negative breast cancer

Author(s): KeJing Zhang, Juan Wei, SheYu Zhang, Liyan Fei, Lu Guo, Xueying Liu, YiShuai Ji, WenJun Chen, Felipe E. Ciamponi, WeiChang Chen, MengXi Li, Jie Zhai, Ting Fu, Katlin B. Massirer, Yang Yu, Mathieu Lupien, Yong Wei, Cheryl. H. Arrowsmith, Qin Wu, WeiHong Tan
Published in: Cell Chemical Biology, Issue 31, 2024, Page(s) 1942-1957.e6, ISSN 2451-9456
Publisher: Elsevier BV
DOI: 10.1016/j.chembiol.2024.08.003

"CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein"

Author(s): Fengling Li, Suzanne Ackloo, Cheryl H. Arrowsmith, Fuqiang Ban, Christopher J. Barden, Hartmut Beck, Jan Beránek, Francois Berenger, Albina Bolotokova, Guillaume Bret, Marko Breznik, Emanuele Carosati, Irene Chau, Yu Chen, Artem Cherkasov, Dennis Della Corte, Katrin Denzinger, Aiping Dong, Sorin Draga, Ian Dunn, Kristina Edfeldt, Aled Edwards, Merveille Eguida, Paul Eisenhuth, Lukas Friedrich, Al
Published in: Journal of Chemical Information and Modeling, Issue 64, 2024, Page(s) 8521-8536, ISSN 1549-9596
Publisher: American Chemical Society
DOI: 10.1021/acs.jcim.4c01267

E3 Ligase Ligands for PROTACs: How They Were Found and How to Discover New Ones

Author(s): Tasuku Ishida, Alessio Ciulli
Published in: SLAS DISCOVERY: Advancing the Science of Drug Discovery, Issue 26/4, 2021, Page(s) 484-502, ISSN 2472-5552
Publisher: SAGE Journals
DOI: 10.1177/2472555220965528

Octyl itaconate enhances VSVΔ51 oncolytic virotherapy by multitarget inhibition of antiviral and inflammatory pathways

Author(s): Naziia Kurmasheva, Aida Said, Boaz Wong, Priscilla Kinderman, Xiaoying Han, Anna H. F. Rahimic, Alena Kress, Madalina E. Carter-Timofte, Emilia Holm, Demi van der Horst, Christoph F. Kollmann, Zhenlong Liu, Chen Wang, Huy-Dung Hoang, Elina Kovalenko, Maria Chrysopoulou, Krishna Sundar Twayana, Rasmus N. Ottosen, Esben B. Svenningsen, Fabio Begnini, Anders E. Kiib, Florian E. H. Kromm, Hauke J. Wei
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-48422-x

Discovery of 3-Amino-1-pyrazole-Based Kinase Inhibitors to Illuminate the Understudied PCTAIRE Family.

Author(s): Amrhein JA, Berger LM, Tjaden A, Krämer A, Elson L, Tolvanen T, Martinez-Molina D, Kaiser A, Schubert-Zsilavecz M, Müller S, Knapp S, Hanke T
Published in: Int J Mol Sci, 2022, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms232314834

Role of FAM134 paralogues in endoplasmic reticulum remodeling, ER‐phagy, and Collagen quality control

Author(s): Alessio Reggio, Viviana Buonomo, Rayene Berkane, Ramachandra M Bhaskara, Mariana Tellechea, Ivana Peluso, Elena Polishchuk, Giorgia Di Lorenzo, Carmine Cirillo, Marianna Esposito, Adeela Hussain, Antje K Huebner, Christian A Hübner, Carmine Settembre, Gerhard Hummer, Paolo Grumati, Alexandra Stolz
Published in: EMBO reports, 2021, ISSN 1469-221X
Publisher: Nature Publishing Group
DOI: 10.15252/embr.202052289

Structural variation of the coding and non-coding human pharmacogenome

Author(s): Roman Tremmel, Yitian Zhou, Matthias Schwab & Volker M. Lauschke
Published in: npj Genomic Medicine, 2023, ISSN 2056-7944
Publisher: Springer Nature
DOI: 10.1038/s41525-023-00371-y

Target 2035 - update on the quest for a probe for every protein.

Author(s): Muller, S., Ackloo, S., Al Chawaf, A., Al-Lazikani, B., Antolin, A., Baell, J. B., Beck, H., Beedie, S., Betz, U. A. K., Bezerra, G. A., Brennan, P. E., Brown, D., Brown, P. J., Bullock, A. N., Carter, A. J., Chaikuad, A., Chaineau, M., Ciulli, A., Collins, I., Dreher, J., Drewry, D., Edfeldt, K., Edwards, A. M., Egner, U., Frye, S. V., Fuchs, S. M., Hall, M. D., Hartung, I. V., Hillisch, A., Hitc
Published in: RSC Medicinal Chemistry, 2022, ISSN 2046-2069
Publisher: Royal Society of Chemistry
DOI: 10.1039/d1md00228g

Pathway selectivity in Frizzleds is achieved by conserved micro-switches defining pathway-determining, active conformations

Author(s): Lukas Grätz, Maria Kowalski-Jahn, Magdalena M. Scharf, Pawel Kozielewicz, Michael Jahn, Julien Bous, Nevin A. Lambert, David E. Gloriam & Gunnar Schulte
Published in: Nature Communications, 2023, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-023-40213-0

A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.

Author(s): Liu Y, Iqbal A, Li W, Ni Z, Wang Y, Ramprasad J, Abraham KJ, Zhang M, Zhao DY, Qin S, Loppnau P, Jiang H, Guo X, Brown PJ, Zhen X, Xu G, Mekhail K, Ji X, Bedford MT, Greenblatt JF, Min J
Published in: Nat Commun, 2022, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-022-33229-5

Synthesis of 5-Benzylamino and 5-Alkylamino-Substituted Pyrimido[4,5-c]quinoline Derivatives as CSNK2A Inhibitors with Antiviral Activity

Author(s): Kesatebrhan Haile Asressu,Jeffery L. Smith, Rebekah J. Dickmander, Nathaniel J. Moorman, James Wellnitz, Konstantin I. Popov, Alison D. Axtman,nand Timothy M. Willson
Published in: Pharmaceuticals (Basel), 2024, ISSN 1424-8247
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ph17030306

ChemRAP uncovers specific mRNA translation regulation via RNA 5' phospho-methylation

Author(s): Ipas H, Gouws EB, Abell NS, Chiou PC, Devanathan SK, Hervé S, Lee S, Mercado M, Reinsborough C, Halabelian L, Arrowsmith CH, Xhemalçe B
Published in: EMBO Rep., 2024, ISSN 1469-221X
Publisher: Nature Publishing Group
DOI: 10.1038/s44319-024-00059-z

A Target Class Ligandability Evaluation of WD40 Repeat-Containing Proteins

Author(s): Suzanne Ackloo, Fengling Li, Magda Szewczyk, Almagul Seitova, Peter Loppnau, Hong Zeng, Jin Xu, Shabbir Ahmad, Yelena A Arnautova, A. J. Baghaie, Serap Beldar, Albina Bolotokova, Paolo A. Centrella, Irene Chau, Matthew A. Clark, John W. Cuozzo, Saba Dehghani-Tafti, Jeremy S. Disch, Aiping Dong, Antoine Dumas, Jianwen A. Feng, Pegah Ghiabi, Elisa Gibson, Justin Gilmer, Brian Goldman, Stuart R Green
Published in: Journal of Medicinal Chemistry, Issue 68, 2025, Page(s) 1092-1112, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.4c02010

Enzymatic nucleosome acetylation selectively affects activity of histone methyltransferases in vitro

Author(s): Trush, Viacheslav V.; Feller, Christian; Li, Alice Shi Ming; Allali-Hassani, Abdellah; Szewczyk, Magdalena M.; Chau, Irene; Eram, Mohammad S.; Jiang, Boya; Luu, Raymond; Zhang, Fangfei; Barsyte-Lovejoy, Dalia; Aebersold, Ruedi; Arrowsmith, Cheryl H.; Vedadi, Masoud
Published in: Biochimica et Biophysica Acta - Gene Regulatory Mechanisms, 1865 (5), Issue 1, 2022, ISSN 1874-9399
Publisher: Elsevier BV
DOI: 10.1016/j.bbagrm.2022.194845

Rational Design of PROTAC Linkers Featuring Ferrocene as a Molecular Hinge to Enable Dynamic Conformational Changes

Author(s): Alessandra Salerno, Lianne H. E. Wieske, Claudia J. Diehl, Alessio Ciulli
Published in: Journal of the American Chemical Society, Issue 147, 2025, Page(s) 13328-13344, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.4c18354

DiscoveryofPotentandExquisitelySelectiveInhibitorsofKinaseCK1withTunableIsoformSelectivity

Author(s): Němec V, Khirsariya P, Janovská P, Moyano PM, Maier L, Procházková P, Kebková P, Gybel' T, Berger BT, Chaikuad A, Reinecke M, Kuster B, Knapp S, Bryja V, Paruch K.
Published in: Angew Chem Int Ed Engl 2023, 2023, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1016/j.ijbiomac.2023.123428

ChemBioPort: an online portal to navigate the structure, function and chemical inhibition of the human proteome

Author(s): Lihua Liu, Evianne Rovers, Matthieu Schapira
Published in: Database, 2022, ISSN 1758-0463
Publisher: Oxford University Press
DOI: 10.1093/database/baac088

A Consensus Compound/Bioactivity Dataset for Data-Driven Drug Design and Chemogenomics

Author(s): Isigkeit, L.; Chaikuad, A.; Merk, D
Published in: Molecules, 2022, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27082513

The Past, Present and Future of Intestinal In Vitro Cell Systems for Drug Absorption Studies

Author(s): Sonia Youhanna, Volker M. Lauschke
Published in: Journal of Pharmaceutical Sciences, Issue 110/1, 2021, Page(s) 50-65, ISSN 0022-3549
Publisher: John Wiley & Sons Inc.
DOI: 10.1016/j.xphs.2020.07.001

Stereochemical inversion at a 1,4-cyclohexyl PROTAC linker fine-tunes conformation and binding affinity

Author(s): Martina Pierri, Xingui Liu, Alena Kroupova, Zoe Rutter, Alex J. Hallatt, Alessio Ciulli
Published in: Bioorganic & Medicinal Chemistry Letters, Issue 110, 2024, Page(s) 129861, ISSN 0960-894X
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.bmcl.2024.129861

Identification of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach

Author(s): Eric M. Merten, John D. Sears, Tina M. Leisner, P. Brian Hardy, Anirban Ghoshal, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Peter J. Brown, Edwin G. Tse, Michael A. Stashko, Kelin Li, Jacqueline L. Norris-Drouin, Laura E. Herring, Angie L. Mordant, Thomas S. Webb, Christine A. Mills, Natalie K. Barker, Zachary J. Streblow, Sumera Perveen, Cheryl H. Arrowsmith, Rafael Miguez Couñago, Jamie
Published in: Proceedings of the National Academy of Sciences, Issue 121, 2024, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2409166121

Longitudinal assessment of reactivity and affinity profile of anti-Jo1 autoantibodies to distinct HisRS domains and a splice variant in a cohort of patients with myositis and anti-synthetase syndrome

Author(s): Notarnicola A, Preger C, Lundström SL, Renard N, Wigren E, Van Gompel E, Galindo-Feria AS, Persson H, Fathi M, Grunewald J, Jakobsson PJ, Gräslund S, Lundberg IE, Fernandes-Cerqueira C
Published in: Arthritis research and therapy, 2022, ISSN 1478-6362
Publisher: Springer Nature
DOI: 10.1186/s13075-022-02745-6

Target 2035 – an update on private sector contributions

Author(s): Suzanne Ackloo, * a Albert A. Antolin, b Jose Manuel Bartolome, c Hartmut Beck, d Alex Bullock, e Ulrich A. K. Betz, f Jark Böttcher, g Peter J. Brown, h Menorca Chaturvedi, i Alisa Crisp,j Danette Daniels, k Jan Dreher, d Kristina Edfeldt, l Aled M. Edwards, a Ursula Egner, m Jon Elkins, e Christian Fischer, n Tine Glendorf, o Steven Goldberg, p Ingo V. Hartung, q Alexander Hillisch, d Evert Hom
Published in: RSC Medicinal Chemistry, 2022, ISSN 2040-2503
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2md00441k

Recent developments in in vitro and in vivo models for improved translation of preclinical pharmacokinetics and pharmacodynamics data

Author(s): Jaydeep Yadav, Mehdi El Hassani, Jasleen Sodhi, Volker M. Lauschke, Jessica H. Hartman & Laura E. Russell
Published in: Drug Metabolism Reviews, 2021, ISSN 0360-2532
Publisher: Marcel Dekker Inc.
DOI: 10.1080/03602532.2021.1922435

Atg8 family proteins, LIR/AIM motifs and other interaction modes

Author(s): Rogov VV, Nezis IP, Tsapras P, Zhang H, Dagdas Y, Noda NN, Nakatogawa H, Wirth M, Mouilleron S, McEwan DG, Behrends C, Deretic V, Elazar Z, Tooze SA, Dikic I, Lamark T, Johansen T.
Published in: Autophagy Rep, 2023, ISSN 1554-8627
Publisher: Landes Bioscience
DOI: 10.1080/27694127.2023.2188523

Altered desensitization and internalization patterns of rodent versus human glucose‐dependent insulinotropic polypeptide (GIP) receptors. An important drug discovery challenge

Author(s): Lærke Smidt Gasbjerg, Rasmus Syberg Rasmussen, Adrian Dragan, Peter Lindquist, Josefine Ulrikke Melchiorsen, Tomasz Maciej Stepniewski, Sine Schiellerup, Esther Karen Tordrup, Sarina Gadgaard, Hüsün Sheyma Kizilkaya, Sabine Willems, Yi Zhong, Yi Wang, Shane C. Wright, Volker M. Lauschke, Bolette Hartmann, Jens Juul Holst, Jana Selent, Mette Marie Rosenkilde
Published in: British Journal of Pharmacology, Issue 182, 2025, Page(s) 3353-3370, ISSN 0007-1188
Publisher: Wiley-Blackwell
DOI: 10.1111/bph.16478

Assessing reversible and irreversible binding effects of kinase covalent inhibitors through ADP-Glo assays.

Author(s): 37. Schröder M, Chaikuad A.
Published in: Star Protocols, 2021, ISSN 2666-1667
Publisher: Elsevier
DOI: 10.1016/j.xpro.2021.100717

Covalent Targeting Leads to the Development of a LIMK1 Isoform-Selective Inhibitor

Author(s): Sebastian Mandel, Thomas Hanke, Niall Prendiville, María Baena-Nuevo, Lena Marie Berger, Frederic Farges, Martin Peter Schwalm, Benedict-Tilman Berger, Andreas Kraemer, Lewis Elson, Hayuningbudi Saraswati, Kamal R. Abdul Azeez, Verena Dederer, Sebastian Mathea, Ana Corrionero, Patricia Alfonso, Sabrina Keller, Matthias Gstaiger, Daniela S. Krause, Susanne Müller, Sandra Röhm, Stefan Knapp
Published in: Journal of Medicinal Chemistry, Issue 68, 2025, Page(s) 15026-15049, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.5c01204

Chemogenomics for NR1 nuclear hormone receptors

Author(s): Laura Isigkeit, Espen Schallmayer, Romy Busch, Lorene Brunello, Amelie Menge, Lewis Elson, Susanne Müller, Stefan Knapp, Alexandra Stolz, Julian A. Marschner, Daniel Merk
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-49493-6

The human pseudouridine synthase PUS7 recognizes RNA with an extended multi-domain binding surface.

Author(s): Guegueniat J, Halabelian L, Zeng H, Dong A, Li Y, Wu H, Arrowsmith CH, Kothe U
Published in: Nucleic Acids Res, 2021, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkab934

The pro-drug C13 activates AMPK by two distinct mechanisms

Author(s): Jordana B. Freemantle, Dinesh Shah, Dylan M. Lynch, Alessio Ciulli, Harinder S. Hundal, D. Grahame Hardie
Published in: Biochemical Journal, Issue 481, 2024, Page(s) 1203-1219, ISSN 0264-6021
Publisher: Portland Press, Ltd.
DOI: 10.1042/bcj20240425

Modulation of tau tubulin kinases (TTBK1 and TTBK2) impacts ciliogenesis.

Author(s): Bashore FM, Marquez AB, Chaikuad A, Howell S, Dunn AS, Beltran AA, Smith JL, Drewry DH, Beltran AS, Axtman AD.
Published in: Sci Rep, 2023, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-023-32854-4

Human resident liver myeloid cells protect against metabolic stress in obesity

Author(s): Emelie Barreby, Benedikt Strunz, Sebastian Nock, Léa Naudet, Joanne X. Shen, Helene Johansson, Isabella Sönnerborg, Junjie Ma, Egon Urgard, Laura J. Pallett, Yizhou Hu, Achilleas Fardellas, Valerio Azzimato, Ana Vankova, Laura Levi, Cecilia Morgantini, Mala K. Maini, Per Stål, Stephan P. Rosshart, Jonathan M. Coquet, Greg Nowak, Erik Näslund, Volker M. Lauschke, Ewa Ellis, Niklas K. Björkstr
Published in: Nature Metabolism, 2023, ISSN 2522-5812
Publisher: Nature
DOI: 10.1038/s42255-023-00834-7

Compound Absorption in Polymer Devices Impairs the Translatability of Preclinical Safety Assessments

Author(s): Aurino M. Kemas, Reza Zandi Shafagh, Nayere Taebnia, Maurice Michel, Lena Preiss, Ute Hofmann, Volker M. Lauschke
Published in: Advanced Healthcare Materials, Issue 13, 2024, ISSN 2192-2640
Publisher: John Wiley and Sons Ltd
DOI: 10.1002/adhm.202303561

Optimization of 3-Cyano-7-cyclopropylamino-pyrazolo[1,5- a]pyrimidines toward the Development of an In Vivo Chemical Probe for CSNK2A

Author(s): Xuan Yang , Han Wee Ong , Rebekah J Dickmander, Jeffery L Smith, Jason W Brown, William Tao, Edcon Chang, Nathaniel J Moorman , Alison D Axtman, Timothy M Willson
Published in: ACS Omega, 2023, ISSN 2470-1343
Publisher: American Chemical Society
DOI: 10.1021/acsomega.3c05377

Assembly and Application of a Low Budget Photoreactor**

Author(s): Olov Wallner, Kirill Mamonov, Florian Ortis, Dana Michel, Maurice Michel
Published in: Chemistry–Methods, Issue 1/5, 2021, Page(s) 240-244, ISSN 2628-9725
Publisher: Wiley-VCH GmbH
DOI: 10.1002/cmtd.202100022

Characterization of genetic variants of GIPR reveals a contribution of β-arrestin to metabolic phenotypes

Author(s): Hüsün S. Kizilkaya, Kimmie V. Sørensen, Jakob S. Madsen, Peter Lindquist, Jonathan D. Douros, Jette Bork-Jensen, Alessandro Berghella, Peter A. Gerlach, Lærke S. Gasbjerg, Jacek Mokrosiński, Stephanie A. Mowery, Patrick J. Knerr, Brian Finan, Jonathan E. Campbell, David A. D’Alessio, Diego Perez-Tilve, Felix Faas, Signe Mathiasen, Jørgen Rungby, Henrik T. Sørensen, Allan Vaag, Jens S. Nie
Published in: Nature Metabolism, Issue 6, 2024, Page(s) 1268-1281, ISSN 2522-5812
Publisher: Springer Science and Business Media LLC
DOI: 10.1038/s42255-024-01061-4

A Screening of Epigenetic Therapeutic Targets for Non-Small Cell Lung Cancer Reveals PADI4 and KDM6B as Promising Candidates

Author(s): Lesbon JCC, Garnica TK, Xavier PLP, Rochetti AL, Reis RM, Müller S, Fukumasu H.
Published in: International Journal of Molecular Sciences, 2022, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms231911911

The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks

Author(s): Christian Kramer, John Chodera, Kelly L. Damm-Ganamet, Michael K. Gilson, Judith Günther, Uta Lessel, Richard A. Lewis, David Mobley, Eva Nittinger, Adam Pecina, Matthieu Schapira, W. Patrick Walters
Published in: Journal of Chemical Information and Modeling, Issue 65, 2025, Page(s) 2180-2190, ISSN 1549-9596
Publisher: American Chemical Society
DOI: 10.1021/acs.jcim.4c02296

Calcium/calmodulin-dependent protein kinase kinase 2 regulates hepatic fuel metabolism

Author(s): Stork BA, Dean A, Ortiz AR, Saha P, Putluri N, Planas-Silva MD, Mahmud I, Rajapakshe K, Coarfa C, Knapp S, Lorenzi PL, Kemp BE, Turk BE, Scott JW, Means AR, York B.
Published in: Mol Metab, 2022, ISSN 2212-8778
Publisher: Elsevier GmbH
DOI: 10.1016/j.molmet.2022.101513

Use of Aldehyde–Alkyne–Amine Couplings to Generate Medicinal Chemistry-Relevant Linkers

Author(s): Andrew McGown, Vesna Vetma, Damien Crepin, Yan Lin, Claire Adcock, Conner Craigon, Jordan Nafie, Daniel von Emloh, Léa Sutton, Kiera Bailey, Lewis Edmunds, Manvendra Sharma, Jonathan D. Wilden, Simon J. Coles, Graham J. Tizzard, William Farnaby, Alessio Ciulli, George E. Kostakis, John Spencer
Published in: ACS Medicinal Chemistry Letters, Issue 16, 2025, Page(s) 278-284, ISSN 1948-5875
Publisher: American Chemical Society
DOI: 10.1021/acsmedchemlett.4c00531

Chemical Toolkit for PARK7: Potent, Selective, and High-Throughput

Author(s): Yuqing Jia, Robbert Q. Kim, Raymond Kooij, Huib Ovaa, Aysegul Sapmaz*, and Paul P. Geurink*
Published in: J Med Chem, 2022, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01113

Insulin‐dependent glucose consumption dynamics in 3D primary human liver cultures measured by a sensitive and specific glucose sensor with nanoliter input volume

Author(s): Aurino M. Kemas, Sonia Youhanna, Reza Zandi Shafagh, Volker M. Lauschke
Published in: The FASEB Journal, Issue 35/3, 2021, ISSN 0892-6638
Publisher: Federation of American Societies for Experimental Biology
DOI: 10.1096/fj.202001989rr

Selective BH3 mimetics synergize with BET inhibition to induce mitochondrial apoptosis in rhabdomyosarcoma cells

Author(s): Erdogdu U, Dolgikh N, Laszig S, Särchen V, Meister MT, Wanior M, Knapp S, Boedicker C
Published in: Neoplasia, 2022, ISSN 1522-8002
Publisher: Elsevier BV
DOI: 10.1016/j.neo.2021.11.012

Discovery of a novel inhibitor of macropinocytosis with antiviral activity

Author(s): Bartlomiej Porebski, Wanda Christ, Alba Corman, Martin Haraldsson, Myriam Barz, Louise Lidemalm, Maria Häggblad, Juliana Ilmain, Shane C. Wright, Matilde Murga, Jan Schlegel, Malin Jarvius, Maris Lapins, Erdinc Sezgin, Gira Bhabha, Volker M. Lauschke, Jordi Carreras-Puigvert, Miguel Lafarga, Jonas Klingström, Daniela Hühn, Oscar Fernandez-Capetillo
Published in: Molecular Therapy, Issue 32, 2024, Page(s) 3012-3024, ISSN 1525-0016
Publisher: Nature Publishing Group
DOI: 10.1016/j.ymthe.2024.06.038

Opportunities and Challenges of Population Pharmacogenomics

Author(s): Yitian Zhou, Yoomi Park, Mahamadou D. Camara, Volker M. Lauschke
Published in: Annals of Human Genetics, 2025, ISSN 0003-4800
Publisher: Blackwell Publishing Inc.
DOI: 10.1111/ahg.12596

Detection of antibodies against the huntingtin protein in human plasma.

Author(s): Denis HL, Alpaugh M, Alvarez CP, Fenyi A, Barker RA, Chouinard S, Arrowsmith CH, Melki R, Labib R, Harding RJ, Cicchetti F
Published in: Cell Mol Life Sci, 2023, ISSN 1420-682X
Publisher: Birkhauser Verlag
DOI: 10.1007/s00018-023-04687-x

Scaling of an antibody validation procedure enables quantification of antibody performance in major research applications

Author(s): Ayoubi R, Ryan J, Biddle MS, Alshafie W, Fotouhi M, Bolivar SG, Ruiz Moleon V, Eckmann P, Worrall D, McDowell I, Southern K, Reintsch W, Durcan TM, Brown C, Bandrowski A, Virk H, Edwards AM, McPherson P, Laflamme C.
Published in: Elife, 2023, ISSN 2050-084X
Publisher: eLife Sciences Publications
DOI: 10.7554/elife.91645

Development of PROTAC Degrader Drugs for Cancer

Author(s): Vesna Vetma, Suzanne O'Connor, Alessio Ciulli
Published in: Annual Review of Cancer Biology, Issue 9, 2025, Page(s) 119-140, ISSN 2472-3428
Publisher: Annual Reviews
DOI: 10.1146/annurev-cancerbio-061824-105806

Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6

Author(s): Harding RJ, Franzoni I, Mann MK, Szewczyk MM, Mirabi B, Ferreira de Freitas R, Owens DDG, Ackloo S, Scheremetjew A, Juarez-Ornelas KA, Sanichar R, Baker RJ, Dank C, Brown PJ, Barsyte-Lovejoy D, Santhakumar V, Schapira M, Lautens M, Arrowsmith CH
Published in: J Med Chem, 2023, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.3c00314

A high-throughput approach to identify BRCA1-downregulating compounds to enhance PARP inhibitor sensitivity

Author(s): Erin Sellars, Margarita Savguira, Jie Wu, Sabrina Cancelliere, Mark Jen, Rehna Krishnan, Anne Hakem, Dalia Barsyte-Lovejoy, Razqallah Hakem, Steven A. Narod, Joanne Kotsopoulos, Leonardo Salmena
Published in: iScience, Issue 27, 2025, Page(s) 110180, ISSN 2589-0042
Publisher: Elsevier BV
DOI: 10.1016/j.isci.2024.110180

Structure-Reactivity Studies of 2-Sulfonylpyrimidines Allow Selective Protein Arylation.

Author(s): Pichon MM, Drelinkiewicz D, Lozano D, Moraru R, Hayward LJ, Jones M, McCoy MA, Allstrum-Graves S, Balourdas DI, Joerger AC, Whitby RJ, Goldup SM, Wells N, Langley GJ, Herniman JM, Baud MGJ.
Published in: Bioconjug Chem, 2023, ISSN 1043-1802
Publisher: American Chemical Society
DOI: 10.1021/acs.bioconjchem.3c00322

Structure-Based Development of Isoform Selective Inhibitors ofCasein Kinase 1ε vs. Casein Kinase 1δ

Author(s): Choi JY, Noguchi Y, Alburger JM, Bayle S, Chung E, Grant W, Chaikuad A, Knapp S, Duckett DR, Roush WR.
Published in: J Med Chem, 2023, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.2c01180

The identification of high-performing antibodies for transmembrane protein 106B (TMEM106B) for use in Western blot, immunoprecipitation, and immunofluorescence.

Author(s): 3. Riham Ayoubi, Maryam Fotouhi, Kathleen Southern, Ritika Bhajiawala, Rebeka Fanti, Panagiotis Prinos, Peter S. McPherson, Carl Laflamme, NeuroSGC/YCharOS/EDDU collaborative group, ABIF Consortium.
Published in: F1000 Research, 2023, ISSN 2046-1402
Publisher: F1000 Research Ltd.
DOI: 10.12688/f1000research.131333.1

Discovery and characterization of a specific inhibitor of serine-threonine kinase cyclin-dependent kinase-like 5 (CDKL5) demonstrates role in hippocampal CA1 physiology

Author(s): Anna Castano, Margaux Silvestre, Carrow I Wells, Jennifer L Sanderson, Carla A Ferrer, Han Wee Ong, Yi Lang, William Richardson, Josie A Silvaroli, Frances M Bashore, Jeffery L Smith, Isabelle M Genereux, Kelvin Dempster, David H Drewry, Navlot S Pabla, Alex N Bullock, Tim A Benke, Sila K Ultanir, and Alison D Axtman
Published in: Elife, 2023, ISSN 2050-084X
Publisher: eLife Sciences Publications
DOI: 10.7554/elife.88206

Rare genetic variability in human drug target genes modulates drug response and can guide precision medicine

Author(s): Zhou, Y., Arribas, G. H., Turku, A., Jürgenson, T., Mkrtchian, S., Krebs, K., ... & Lauschke, V. M.
Published in: Science Advances, 2021, ISSN 2375-2548
Publisher: American Association for the Advancement of Science
DOI: 10.1126/sciadv.abi6856

Discovery of CHD1 Antagonists for PTEN-Deficient Prostate Cancer

Author(s): Rebecca L. Johnson, Amanda L. Graboski, Fengling Li, Jacqueline L. Norris-Drouin, William G. Walton, Cheryl H. Arrowsmith, Matthew R. Redinbo, Stephen V. Frye, Lindsey I. James
Published in: Journal of Medicinal Chemistry, Issue 67, 2024, Page(s) 20056-20075, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.4c01172

A Chemical Toolbox for Labeling and Degrading Engineered Cas Proteins

Author(s): Gama-Brambila RA, Chen J, Dabiri Y, Tascher G, Němec V, Münch C, Song G, Knapp S, Cheng X.
Published in: JACS Au, 2021, ISSN 2691-3704
Publisher: American Chemical Society
DOI: 10.1021/jacsau.1c00007

The co-crystal structure of Cbl-b and a small-molecule inhibitor reveals the mechanism of Cbl-b inhibition.

Author(s): Kimani SW, Perveen S, Szewezyk M, Zeng H, Dong A, Li F, Ghiabi P, Li Y, Chau I, Arrowsmith CH, Barsyte-Lovejoy D, Santhakumar V, Vedadi M, Halabelian L.
Published in: Commun Biol, 2023, ISSN 2399-3642
Publisher: Springer Nature
DOI: 10.1038/s42003-023-05655-8

Cdyl Deficiency Brakes Neuronal Excitability and Nociception through Promoting Kcnb1 Transcription in Peripheral Sensory Neurons.

Author(s): Sun ZW, Waybright JM, Beldar S, Chen L, Foley CA, Norris-Drouin JL, Lyu TJ, Dong A, Min J, Wang YP, James LI, Wang Y
Published in: Adv Sci (Weinh), 2022, ISSN 2198-3844
Publisher: John Wiley and Sons
DOI: 10.1002/advs.202104317

GPCR Function in Autophagy Control: A Systematic Approach of Chemical Intervention

Author(s): Pablo Sanz-Martinez, Georg Tascher, Sara Cano-Franco, Paloma Cabrerizo-Poveda, Christian Münch, Evert J. Homan, Alexandra Stolz
Published in: Journal of Molecular Biology, Issue 436, 2024, Page(s) 168643, ISSN 0022-2836
Publisher: Academic Press
DOI: 10.1016/j.jmb.2024.168643

Wnt/β-catenin and NFκB signaling synergize to trigger growth factor-free regeneration of adult primary human hepatocytes

Author(s): Nuria Oliva-Vilarnau, Christian M Beusch , Pierre Sabatier, Eirini Sakaraki, Amelie Tjaden, Lukas Graetz, Florian A Büttner, Debra Dorotea , My Nguyen , Filip Bergqvist, Yvonne Sundström, Susanne Müller, Roman A Zubarev, Gunnar Schulte, Claudia Tredu, Roberto Gramignoli , Uwe J F Tietge , Volker M Lauschke
Published in: Hepatology, 2023, ISSN 0270-9139
Publisher: John Wiley & Sons Inc.
DOI: 10.1097/hep.0000000000000648

Amide-to-ester substitution as a strategy for optimizing PROTAC permeability and cellular activity

Author(s): Victoria G. Klein; Adam G. Bond; Conner Craigon; R. Scott Lokey; Alessio Ciulli
Published in: Journal of Medicinal Chemistry, Issue 2, 2021, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.1c01496

DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.

Author(s): Strubel A, Münick P, Hartmann O, Chaikuad A, Dreier B, Schaefer JV, Gebel J, Osterburg C, Tuppi M, Schäfer B, Buck V, Rosenfeldt M, Knapp S, Plückthun A, Diefenbacher ME, Dötsch V.
Published in: Cell Death Dis, 2023, ISSN 2041-4889
Publisher: Nature Publishing Group
DOI: 10.1038/s41419-023-06213-0

Identification and evaluation of small-molecule inhibitors against the dNTPase SAMHD1 via a comprehensive screening funnel

Author(s): Si Min Zhang, Cynthia BJ Paulin, Huazhang Shu, Miriam Yagüe-Capilla, Maurice Michel, Petra Marttila, Florian Ortis, Henri Colyn Bwanika, Christopher Dirks, Rajagopal Papagudi Venkatram, Elisée Wiita, Ann-Sofie Jemth, Ingrid Almlöf, Olga Loseva, Femke M Hormann, Tobias Koolmeister, Erika Linde, Sun Lee, Sabin Llona-Minguez, Martin Haraldsson, Hanna Axelsson, Kia Strömberg, Evert J Homan, Martin
Published in: iScience, 2024, ISSN 2589-0042
Publisher: Elsevier
DOI: 10.1016/j.isci.2024.108907

A Concerted Action of UBA5 C-Terminal Unstructured Regions Is Important for Transfer of Activated UFM1 to UFC1

Author(s): Nicole Wesch, Frank Löhr, Natalia Rogova, Volker Dötsch, Vladimir V. Rogov
Published in: International Journal of Molecular Sciences, Issue 22/14, 2021, Page(s) 7390, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22147390

Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.

Author(s): Martin P. Schwalm , Andreas Krämer, Anja Dölle , Janik Weckesser, Xufen Yu , Jian Jin , Krishna Saxena, Stefan Knapp
Published in: Cell Chemical Biology, 2023, ISSN 2451-9456
Publisher: Elsevier Inc.
DOI: 10.1016/j.chembiol.2023.06.002

The MYC oncoprotein directly interacts with its chromatin cofactor PNUTS to recruit PP1 phosphatase.

Author(s): Wei Y, Redel C, Ahlner A, Lemak A, Johansson-Ã…khe I, Houliston S, Kenney TMG, Tamachi A, Morad V, Duan S, Andrews DW, Wallner B, Sunnerhagen M, Arrowsmith CH, Penn LZ
Published in: Nucleic Acids Res, 2022, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkac138

Small Molecule Screen Identifies Non-catalytic USP3 Chemical Handle.

Author(s): Mann MK, Wolf E, Silva M, Kwak HA, Wilson B, Bolotokova A, Wilson DJ, Harding RJ, Schapira M.
Published in: ACS Omega., 2024, ISSN 2470-1343
Publisher: American. Chemical Society
DOI: 10.1021/acsomega.3c07070

The Structure-Based Design of SARS-CoV-2 nsp14 Methyltransferase Ligands Yields Nanomolar Inhibitors.

Author(s): Otava T, Å Ã¡la M, Li F, FanfrlÃ-k J, Devkota K, Perveen S, Chau I, Pakarian P, Hobza P, Vedadi M, Boura E, Nencka R
Published in: ACS Infect Dis, 2021, ISSN 2373-8227
Publisher: American Chemical Society
DOI: 10.1021/acsinfecdis.1c00131

Probe my Pathway (PmP): a portal to explore the chemical coverage of the human Reactome

Author(s): Haejin Angela Kwak, Lihua Liu, Matthieu Schapira
Published in: Database, Issue 2024, 2025, ISSN 1758-0463
Publisher: Oxford University Press
DOI: 10.1093/database/baae116

Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments

Author(s): Martinelli P., Schaaf O., Mantoulidis A., Martin L., Fuchs JE., Bader G., Gollner A., Wolkerstorfer B., Rogers C., Balıkçı E., Lipp J., Mischerikow N., Doebel S., Gerstberger T., Sommergruber W., Huber KVM., Böttcher J.
Published in: ChemMedChem, 2023, ISSN 1860-7179
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/cmdc.202200686

Mechanism of degrader-targeted protein ubiquitinability

Author(s): Charlotte Crowe, Mark A. Nakasone, Sarah Chandler, Conner Craigon, Gajanan Sathe, Michael H. Tatham, Nikolai Makukhin, Ronald T. Hay, Alessio Ciulli
Published in: Science Advances, Issue 10, 2024, ISSN 2375-2548
Publisher: American Association for the Advancement of Science (AAAS)
DOI: 10.1126/sciadv.ado6492

Luciferase- and HaloTag-based reporter assays to measure small-molecule-induced degradation pathway in living cells

Author(s): Martin P. Schwalm, Krishna Saxena, Susanne Müller, Stefan Knapp
Published in: Nature Protocols, Issue 19, 2024, Page(s) 2317-2357, ISSN 1754-2189
Publisher: Nature Publishing Group
DOI: 10.1038/s41596-024-00979-z

In vitro and ex vivo modeling of enteric bacterial infections

Author(s): Taebnia, N., Römling, U., Lauschke, V.M
Published in: Gut Microbes, 2022, ISSN 1949-0976
Publisher: Landes Bioscience
DOI: 10.1080/19490976.2022.2158034

Single tracer-based protocol for broad-spectrum kinase profiling in live cells with NanoBRET

Author(s): Robers MB, Wilkinson JM, Vasta JD, Berger LM, Berger BT, Knapp S.
Published in: Star Protoc, 2021, ISSN 2666-1667
Publisher: Cell Press Elsevier Inc.
DOI: 10.1016/j.xpro.2021.100822

Probing the CRL4DCAF12 interactions with MAGEA3 and CCT5 di-Glu C-terminal degrons

Author(s): Germanna Righetto, Yanting Yin, David Duda, Victoria Vu, Magdalena Szewczyk, Hong Zeng, Yanjun Li, Peter Loppnau, Tony Mei, Yen-yen Li, Alma Seitova, Aaron Patrick, Jean-Francois Brazeau, Charu Chaudhry, Dalia Barsyte-Lovejoy, Vijayaratnam Santhakumar, Levon Halabelian.
Published in: PNAS Nexus, 2024, ISSN 2752-6542
Publisher: 2752-6542
DOI: 10.1093/pnasnexus/pgae153

Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants

Author(s): Xiaomin Ni, Allyn T. Londregan, Dafydd R. Owen, Stefan Knapp, Apirat Chaikuad
Published in: ACS Chemical Biology, Issue 16/4, 2021, Page(s) 571-578, ISSN 1554-8929
Publisher: American Chemical Society
DOI: 10.1021/acschembio.0c00960

Exploiting vulnerabilities of SWI/SNF chromatin remodelling complexes for cancer therapy

Author(s): Marek Wanior, Andreas Krämer, Stefan Knapp, Andreas C. Joerger
Published in: Oncogene, 2021, ISSN 0950-9232
Publisher: Nature Publishing Group
DOI: 10.1038/s41388-021-01781-x

Ternary Complex‐Templated Dynamic Combinatorial Chemistry for the Selection and Identification of Homo‐PROTACs

Author(s): Claudia J. Diehl, Alessandra Salerno, Alessio Ciulli
Published in: Angewandte Chemie International Edition, Issue 63, 2025, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202319456

From cultivation to cancer: formation of -nitrosamines and other carcinogens in smokeless tobacco and their mutagenic implications.

Author(s): Stanfill SB, Hecht SS, Joerger AC, González PJ, Maia LB, Rivas MG, Moura JJG, Gupta AK, Le Brun NE, Crack JC, Hainaut P, Sparacino-Watkins C, Tyx RE, Pillai SD, Zaatari GS, Henley SJ, Blount BC, Watson CH, Kaina B, Mehrotra R.
Published in: Crit Rev Toxicol, 2023, ISSN 1040-8444
Publisher: Taylor & Francis
DOI: 10.1080/10408444.2023.2264327

Arginine ADP-Ribosylation: Chemical Synthesis of Post-Translationally Modified Ubiquitin Proteins

Author(s): Voorneveld J, Kloet MS, Wijngaarden S, Kim RQ, Moutsiopoulou A, Verdegaal M, Misra M, Đikić I, van der Marel GA, Overkleeft HS, Filippov DV, van der Heden van Noort GJ
Published in: Journal of the AMerican Chemical Societyf, 2022, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.2c06249

Sequence and structural variations determining the recruitment of WNK kinases to the KLHL3 E3 ligase.

Author(s): Chen, Z., Zhang, J., Murillo-de-Ozores, A. R., Castaneda-Bueno, M., D'Amico, F., Heilig, R., Manning, C. E., Sorrell, F. J., D'Angiolella, V., Fischer, R., Mulder, M. P. C., Gamba, G., Alessi, D. R. and Bullock, A. N.
Published in: Biochem J., 2022, ISSN 0264-6021
Publisher: Portland Press, Ltd.
DOI: 10.1042/bcj20220019

Loss-of-function mutation in PRMT9 causes abnormal synapse development by dysregulation of RNA alternative splicing

Author(s): Lei Shen, Xiaokuang Ma, Yuanyuan Wang, Zhihao Wang, Yi Zhang, Hoang Quoc Hai Pham, Xiaoqun Tao, Yuehua Cui, Jing Wei, Dimitri Lin, Tharindumala Abeywanada, Swanand Hardikar, Levon Halabelian, Noah Smith, Taiping Chen, Dalia Barsyte-Lovejoy, Shenfeng Qiu, Yi Xing, Yanzhong Yang
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-47107-9

A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.

Author(s): Dilworth D, Hanley RP, Ferreira de Freitas R, Allali-Hassani A, Zhou M, Mehta N, Marunde MR, Ackloo S, Carvalho Machado RA, Khalili Yazdi A, Owens DDG, Vu V, Nie DY, Alqazzaz M, Marcon E, Li F, Chau I, Bolotokova A, Qin S, Lei M, Liu Y, Szewczyk MM, Dong A, Kazemzadeh S, Abramyan T, Popova IK, Hall NW, Meiners MJ, Cheek MA, Gibson E, Kireev D, Greenblatt JF, Keogh MC, Min J, Brown PJ, Vedadi M, Ar
Published in: Nat Chem Biol, 2021, ISSN 1552-4450
Publisher: Nature Publishing Group
DOI: 10.1038/s41589-021-00898-0

Inhibiting EZH2 targets atypical teratoid rhabdoid tumor by triggering viral mimicry via both RNA and DNA sensing pathways

Author(s): Shengrui Feng, Sajid A. Marhon, Dustin J. Sokolowski, Alister D’Costa, Fraser Soares, Parinaz Mehdipour, Charles Ishak, Helen Loo Yau, Ilias Ettayebi, Parasvi S. Patel, Raymond Chen, Jiming Liu, Philip C. Zuzarte, King Ching Ho, Ben Ho, Shiyao Ning, Annie Huang, Cheryl H. Arrowsmith, Michael D. Wilson, Jared T. Simpson, Daniel D. De Carvalho
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-53515-8

Synthesis and Biological Evaluation of 2-Substituted Quinazolin-4(3)-Ones with Antiproliferative Activities

Author(s): Karelou M, Kampasis D, Kalampaliki AD, Persoons L, Krämer A, Schols D, Knapp S, De Jonghe S, Kostakis IK.
Published in: Molecules, 2023, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules28237912

"Functionally active modulators targeting the LRRK2 WD40 repeat domain identified by FRASE-bot in CACHE Challenge #1"

Author(s): Akhila Mettu, Marta Glavatskikh, Xiaowen Wang, Antonio Jesús Lara Ordóñez, Fengling Li, Irene Chau, Suzanne Ackloo, Cheryl Arrowsmith, Albina Bolotokova, Pegah Ghiabi, Elisa Gibson, Levon Halabelian, Scott Houliston, Rachel J. Harding, Ashley Hutchinson, Peter Loppnau, Sumera Perveen, Almagul Seitova, Hong Zeng, Matthieu Schapira, Jean-Marc Taymans, Dmitri Kireev
Published in: Chemical Science, Issue 16, 2025, Page(s) 3430-3439, ISSN 2041-6520
Publisher: Royal Society of Chemistry
DOI: 10.1039/d4sc07532c

5-Iodotubercidin sensitizes cells to RIPK1-dependent necroptosis by interfering with NFκB signaling

Author(s): Chauhan C, Kraemer A, Knapp S, Windheim M, Kotlyarov A, Menon MB, Gaestel M.
Published in: Cell Death Discov, 2023, ISSN 2058-7716
Publisher: Nature Publishing Group
DOI: 10.1038/s41420-023-01576-x

Unravelling the druggability and immunological roles of the SOCS-family proteins

Author(s): Dylan M. Lynch, Beth Forrester, Thomas Webb, Alessio Ciulli
Published in: Frontiers in Immunology, Issue 15, 2024, ISSN 1664-3224
Publisher: Frontiers Media SA
DOI: 10.3389/fimmu.2024.1449397

Cellular shape reinforces niche to stem cell signaling in the small intestine

Author(s): Pentinmikko N, Lozano R, Scharaw S, Andersson S, Englund JI, Castillo-Azofeifa D, Gallagher A, Broberg M, Song KY, Sola Carvajal A,Speidel AT, Sundstrom M, Allbritton N, Stevens MM ,Klein OD , Teixeira A ,Katajisto P
Published in: Science Advances, 2022, ISSN 2375-2548
Publisher: AAAS
DOI: 10.1126/sciadv.abm1847

Current Advances in CETSA

Author(s): Tolvanen, TA
Published in: Frontiers in Molecular Biosciences, 2022, ISSN 2296-889X
Publisher: Frontiers Media S.A
DOI: 10.3389/fmolb.2022.866764

LOPAC library screening identifies suramin as a TRIM21 binder with a unique binding mode revealed by crystal structure

Author(s): Yeojin Kim, Stefan Knapp, Andreas Krämer
Published in: Acta Crystallographica Section F Structural Biology Communications, Issue 81, 2025, Page(s) 101-107, ISSN 2053-230X
Publisher: John Wiley and Sons Ltd
DOI: 10.1107/s2053230x25000913

Structural Chemistry of Helicase Inhibition

Author(s): Lakshi Selvaratnam, Timothy M. Willson, Matthieu Schapira
Published in: Journal of Medicinal Chemistry, Issue 68, 2025, Page(s) 4022-4039, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.4c01909

PRMT5 regulates ATF4 transcript splicing and oxidative stress response.

Author(s): Szewczyk MM, Luciani GM, Vu V, Murison A, Dilworth D, Barghout SH, Lupien M, Arrowsmith CH, Minden MD, Barsyte-Lovejoy D
Published in: Redox Biol, 2022, ISSN 2213-2317
Publisher: Elsevier BV
DOI: 10.1016/j.redox.2022.102282

Pharmacogenomics Beyond Single Common Genetic Variants: The Way Forward

Author(s): Volker M. Lauschke, Yitian Zhou, and Magnus Ingelman-Sundberg
Published in: Annual Review of Pharmacology and Toxicology, 2023, ISSN 0362-1642
Publisher: Annual Reviews, Inc.
DOI: 10.1146/annurev-pharmtox-051921-091209

The PB1 and the ZZ domain of the autophagy receptor p62/SQSTM1 regulate the interaction of p62/SQSTM1 with the autophagosome protein LC3B

Author(s): Alcober-Boquet L, Zang T, Pietsch L, Suess E, Hartmann M, Proschak E, Gross LZF, Sacerdoti M, Zeuzem S, Rogov VV, Leroux AE, Piiper A, Biondi RM.
Published in: Protein Sci, 2024, ISSN 0961-8368
Publisher: Cold Spring Harbor Laboratory Press
DOI: 10.1002/pro.4840

Structural and functional characterization of ubiquitin variant inhibitors for the JAMM-family deubiquitinases STAMBP and STAMBPL1.

Author(s): Guo Y, Liu Q, Mallette E, Caba C, Hou F, Fux J, LaPlante G, Dong A, Zhang Q, Zheng H, Tong Y, Zhang W
Published in: J Biol Chem, 2021, ISSN 0021-9258
Publisher: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2021.101107

Discovery of potent Plasmodium falciparum protein kinase 6 (PfPK6) inhibitors with a type II inhibitor pharmacophore.

Author(s): Ong HW, Truong A, Kwarcinski F, de Silva C, Avalani K, Havener TM, Chirgwin M, Galal KA, Willis C, Krämer A, Liu S, Knapp S, Derbyshire ER, Zutshi R, Drewry DH.
Published in: Eur J Med Chem, 2022, ISSN 0223-5234
Publisher: Elsevier BV
DOI: 10.1016/j.ejmech.2022.115043

From N-0385 to N-0920: Unveiling a Host-Directed Protease Inhibitor with Picomolar Antiviral Efficacy against Prevalent SARS-CoV-2 Variants

Author(s): Gabriel Lemieux, Jimena Pérez-Vargas, Antoine Désilets, Malihe Hassanzadeh, Connor A. H. Thompson, Alice Gravel-Trudeau, Alexandre Joushomme, Siobhan Ennis, Ivan Villanueva, Étienne Marouseau, Bryan J. Fraser, William Champagne, Matthieu Lepage, Masahiro Niikura, Cheryl H. Arrowsmith, François Jean, Richard Leduc, Pierre-Luc Boudreault
Published in: Journal of Medicinal Chemistry, Issue 68, 2025, Page(s) 7119-7136, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.4c02468

Inhibition of bromodomain and extra-terminal proteins targets constitutively active NFκB and STAT signaling in lymphoma and influences the expression of the antiapoptotic proteins BCL2A1 and c-MYC

Author(s): Nadja M. Pieper, Julia Schnell, Daniela Bruecher, Stefan Knapp, Meike Vogler
Published in: Cell Communication and Signaling, Issue 22, 2024, ISSN 1478-811X
Publisher: BioMed Central
DOI: 10.1186/s12964-024-01782-9

Novel biochemical, structural, and systems insights into inflammatory signaling revealed by contextual interaction proteomics.

Author(s): Rodolfo Ciuffa, Federico Uliana , Jonathan Mannion , Martin Mehnert, Tencho Tenev, Cathy Marulli, Ari Satanowski, Lena Maria Leone Keller, Pilar Natalia Rodilla Ramírez, Alessandro Ori, Matthias Gstaiger , Pascal Meier , Ruedi Aebersold
Published in: PNAS, 2022, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2117175119

Chemical Starting Matter for HNF4α Ligand Discovery and Chemogenomics

Author(s): Isabelle Meijer, Sabine Willems, Xiaomin Ni, Jan Heering, Apirat Chaikuad, Daniel Merk
Published in: International Journal of Molecular Sciences, Issue 21/21, 2020, Page(s) 7895, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms21217895

Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions.

Author(s): Yu D, Horton JR, Yang J, Hajian T, Vedadi M, Sagum CA, Bedford MT, Blumenthal RM, Zhang X, Cheng X
Published in: Nucleic Acids Res, 2021, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkab460

Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective

Author(s): Han Wee Ong, Yi Liang,William Richardson, Emily R. Lowry, Carrow I. Wells, Xiangrong Chen, Margaux Silvestre, Kelvin Dempster, Josie A. Silvaroli, Jeffery L. Smith, Hynek Wichterle, Navjot S. Pabla, Sila K. Ultanir, Alex N. Bullock, David H. Drewry, and Alison D. Axtman
Published in: ACS Chem Neurosci, 2023, ISSN 1948-7193
Publisher: American Chemical Society
DOI: 10.1021/acschemneuro.3c00135

PRMT5 promotes full-length HTT expression by repressing multiple proximal intronic polyadenylation sites

Author(s): Manisha Yadav, Mona A AlQazzaz, Felipe E Ciamponi, Jolene C Ho, Maxim I Maron, Aiden M Sababi, Graham MacLeod, Moloud Ahmadi, Garrett Bullivant, Vincent Tano, Sarah R Langley, María Sánchez-Osuna, Patty Sachamitr, Michelle Kushida, Costanza Ferrari Bardile, Mahmoud A Pouladi, Rebecca Kurtz, Laura Richards, Trevor Pugh, Mike Tyers, Stephane Angers, Peter B Dirks, Gary D Bader, Ray Truant
Published in: Nucleic Acids Research, Issue 53, 2025, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkaf347

Stopping pandemics before they start: Lessons learned from SARS-CoV-2

Author(s): Edwards AM, Baric RS, Saphire EO, Ulmer JB
Published in: Science, 2022, ISSN 0036-8075
Publisher: American Association for the Advancement of Science
DOI: 10.1126/science.abn1900

Potent and selective SETDB1 covalent negative allosteric modulator reduces methyltransferase activity in cells

Author(s): Mélanie Uguen, Devan J. Shell, Madhushika Silva, Yu Deng, Fengling Li, Magdalena M. Szewczyk, Ka Yang, Yani Zhao, Michael A. Stashko, Jacqueline L. Norris-Drouin, Jarod M. Waybright, Serap Beldar, Justin M. Rectenwald, Angie L. Mordant, Thomas S. Webb, Laura E. Herring, Cheryl H. Arrowsmith, Suzanne Ackloo, Steven P. Gygi, Robert K. McGinty, Dalia Barsyte-Lovejoy, Pengda Liu, Levon Halabelian, Li
Published in: Nature Communications, Issue 16, 2025, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-025-57005-3

A guide to selecting high-performing antibodies for Huntingtin (UniProt ID: P42858) for use in western blot, immunoprecipitation, and immunofluorescence

Author(s): Rebeka Fanti, Riham Ayoubi, Charles Alende, Maryam Fotouhi, Sara González Bolívar, Renu Chandrasekaran, Kathleen Southern, Aled M. Edwards, Rachel J. Harding, Carl Laflamme, null null, null null
Published in: F1000Research, Issue 13, 2024, Page(s) 922, ISSN 2046-1402
Publisher: F1000 Research Ltd.
DOI: 10.12688/f1000research.153670.1

A pro-Fluorescent Ubiquitin-based Probe to Monitor Cysteine-based E3 Ligase Activity

Author(s): David Pérez Berrocal, Thimmalapura Vishwanatha, Daniel Horn Ghetko, Josephine Bosch, laura hehl, Sebastian Kostrhon, Mohit Misra, Ivan Dikic, Paul geurink, hans van dam, Brenda Schulman, Monique Priscilla Catharina Mulder
Published in: Angewandte, 2023, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202303319

Computational tools to assess the functional consequences of rare and noncoding pharmacogenetic variability

Author(s): Yitian Zhou, Volker M. Lauschke
Published in: Clinical Pharmacology & Therapeutics, 2021, ISSN 0009-9236
Publisher: Nature Publishing Group
DOI: 10.1002/cpt.2289

Hepatic Inhibition of ANGPTL3 Mimics the Molecular Hallmarks of Hypothyroidism

Author(s): Taebnia, N. & Lauschke, V. M.
Published in: Arter., Thromb., Vasc. Biol., 2024, ISSN 1079-5642
Publisher: Lippincott Williams & Wilkins Ltd.
DOI: 10.1161/atvbaha.124.320817

Phenomics‐Based Discovery of Novel Orthosteric Choline Kinase Inhibitors

Author(s): Ludwig G. Bauer, Jennifer A. Ward, Laura Díaz‐Sáez, Yvonne Sundström, Tuomas Tolvanen, Juan Carlos Alarcón Barrera, Sarantos Kostidis, Catherine M. Rogers, Ioanna Panagakou, Usha Singh, Elisabeth M. Rothweiler, Alejandro Gonzalez Orta, H. Ümit Kaniskan, Jianping Hu, Jian Jin, Sonja Sievers, Herbert Waldmann, Martin Giera, Michael Sundström, Louise Berg, Kilian V. M. Huber
Published in: Angewandte Chemie International Edition, Issue 64, 2025, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202420149

Binding Adaptation of GS-441524Diversifies Macro Domains and Down-regulates SARS-CoV-2 de-MARylationCapacity

Author(s): Tsika AC, Gallo A, Fourkiotis NK, Argyriou AI, Sreeramulu S, Löhr F, Rogov VV, Richter C, Linhard V, Gande SL, Altincekic N, Krishnathas R, Elamri I, Schwalbe H, Wollenhaupt J, Weiss MS, Spyroulias GA.
Published in: JMB, 2022, ISSN 0022-2836
Publisher: Academic Press
DOI: 10.1016/j.jmb.2022.167720

Chemogenomic Screening in a Patient‐Derived 3D Fatty Liver Disease Model Reveals the CHRM1‐TRPM8 Axis as a Novel Module for Targeted Intervention

Author(s): Sonia Youhanna, Aurino M. Kemas, Shane C. Wright, Yi Zhong, Britta Klumpp, Kathrin Klein, Aikaterini Motso, Maurice Michel, Nicole Ziegler, Mingmei Shang, Pierre Sabatier, Aimo Kannt, Hongda Sheng, Nuria Oliva‐Vilarnau, Florian A. Büttner, Brinton Seashore‐Ludlow, Jonas Schreiner, Maike Windbergs, Martin Cornillet, Niklas K. Björkström, Andreas J. Hülsmeier, Thorsten Hornemann, Jesper V. O
Published in: Advanced Science, Issue 12, 2025, ISSN 2198-3844
Publisher: Wiley
DOI: 10.1002/advs.202407572

Pharmacogene Sequencing of a Gabonese Population with Severe Plasmodium falciparum Malaria Reveals Multiple Novel Variants with Putative Relevance for Antimalarial Treatment

Author(s): Leyre Pernaute-Lau, Ayola Akim Adegnika, Yitian Zhou, Jeannot F. Zinsou, Jose Pedro Gil, Sanjeev Krishna, Peter G. Kremsner, Volker M. Lauschke, Thirumalaisamy P. Velavan
Published in: Antimicrobial Agents and Chemotherapy, Issue 65/7, 2021, ISSN 0066-4804
Publisher: American Society for Microbiology
DOI: 10.1128/aac.00275-21

Emerging structure-based computational methods to screen the exploding accessible chemical space

Author(s): Corentin Bedart, Conrad Veranso Simoben, Matthieu Schapira
Published in: Current Opinion in Structural Biology, Issue 86, 2024, Page(s) 102812, ISSN 0959-440X
Publisher: Elsevier BV
DOI: 10.1016/j.sbi.2024.102812

Discovery of Nedd4 auto-ubiquitination inhibitors

Author(s): 15. Yong D, Green SR, Ghiabi P, Santhakumar V, Vedadi M.
Published in: Sci Rep, 2023, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-023-42997-z

A guide to selecting high-performing antibodies for TAF15 (UniProt ID: Q92804) for use in western blot, immunoprecipitation, and immunofluorescence

Author(s): Vera Ruíz Moleón, Charles Alende, Maryam Fotouhi, Riham Ayoubi, Carl Laflamme, null null, null null
Published in: F1000Research, Issue 14, 2025, Page(s) 37, ISSN 2046-1402
Publisher: F1000 Research Ltd.
DOI: 10.12688/f1000research.160371.1

A chemical probe to modulate human GID4 Pro/N-degron interactions

Author(s): Dominic D. G. Owens, Matthew E. R. Maitland, Aliakbar Khalili Yazdi, Xiaosheng Song, Viviane Reber, Martin P. Schwalm, Raquel A. C. Machado, Nicolas Bauer, Xu Wang, Magdalena M. Szewczyk, Cheng Dong, Aiping Dong, Peter Loppnau, Matthew F. Calabrese, Matthew S. Dowling, Jisun Lee, Justin I. Montgomery, Thomas N. O’Connell, Chakrapani Subramanyam, Feng Wang, Ella C. Adamson, Matthieu Schapira, Mat
Published in: Nature Chemical Biology, Issue 20, 2024, Page(s) 1164-1175, ISSN 1552-4450
Publisher: Nature Publishing Group
DOI: 10.1038/s41589-024-01618-0

Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPARγ Modulation

Author(s): Arifi S, Marschner JA, Pollinger J, Isigkeit L, Heitel P, Kaiser A, Obeser L, Höfner G, Proschak E, Knapp S, Chaikuad A, Heering J, Merk D.
Published in: J Am Chem Soc, 2023, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.3c03417

Open resources for chemical probes and their implications for future drug discovery

Author(s): Balıkçı E., Marques A-SMC., Hansen JS., Huber KVM.
Published in: Expert Opinion on Drug Discovery, 2023, ISSN 1746-0441
Publisher: Informa Healthcare
DOI: 10.1080/17460441.2023.2199979

GLP-1R signaling neighborhoods associate with the susceptibility to adverse drug reactions of incretin mimetics.

Author(s): Shane C. Wright, Aikaterini Motso, Stefania Koutsilieri, Christian M. Beusch, Pierre Sabatier, Alessandro Berghella, Élodie Blondel-Tepaz, Kimberley Mangenot, Ioannis Pittarokoilis, Despoina-Christina Sismanoglou, Christian Le Gouill, Jesper V. Olsen, Roman A. Zubarev, Nevin A. Lambert, Alexander S. Hauser, Michel Bouvier & Volker M. Lauschke
Published in: Nat. Commun., 2023, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-023-41893-4

Toward effective Atg8-based ATTECs: Approaches and perspectives

Author(s): Schwalm MP, Knapp S, Rogov VV.
Published in: J Cell Biochem, 2023, ISSN 0730-2312
Publisher: John Wiley & Sons Inc.
DOI: 10.1002/jcb.30380

The Transcriptional Repressor Orphan Nuclear Receptor TLX Is Responsive to Caffeine and Istradefylline

Author(s): Giuseppe Faudone, Whitney Kilu, Xiaomin Ni, Apirat Chaikuad, Sridhar Sreeramulu, Pascal Heitel, Harald Schwalbe, Stefan Knapp, Manfred Schubert-Zsilavecz, Jan Heering, Daniel Merk
Published in: ACS Pharmacology & Translational Science, 2025, ISSN 2575-9108
Publisher: ACS
DOI: 10.26434/chemrxiv.14558121.v1

Colorectal cancer organoid-stroma biobank allows subtype-specific assessment of individualized therapy responses.

Author(s): Farin HF, Mosa MH, Ndreshkjana B, Grebbin BM, Ritter B, Menche C, Kennel KB, Ziegler PK, Szabo L, Bollrath J, Rieder D, Michels BE, Kress A, Bozlar M, Darvishi T, Stier S, Kur IM, Bankov K, Kesselring R, Fichtner-Feigl S, Brune B, Goetze TO, Al-Batran SE, Brandts CH, Bechstein WO, Wild PJ, Weigert A, Muller S, Knapp S, Trajanoski Z, Greten FR.
Published in: Cancer Discov, 2023, ISSN 2159-8274
Publisher: American Association for Cancer Research Inc.
DOI: 10.1158/2159-8290.cd-23-0050

Automated Determination of Nuclear Magnetic Resonance Chemical Shift Perturbations in Ligand Screening Experiments: The PICASSO Web Server

Author(s): Laveglia, V., Giachetti, A., Cerofolini, L., Haubrich, K., Fragai, M., Ciulli, A., Rosato, A.
Published in: Journal of Chemical Information and Modeling, 2021, ISSN 1549-9596
Publisher: American Chemical Society
DOI: 10.1021/acs.jcim.1c00871

Discovery of Conformationally Constrained ALK2 Inhibitors

Author(s): Héctor González-Álvarez; Deeba Ensan; Tao Xin; Jong Fu Wong; Carlos A. Zepeda-Velázquez; Julien Cros; Melissa N. Sweeney; Laurent Hoffer; Taira Kiyota; Brian J. Wilson; Ahmed Aman; Owen Roberts; Methvin B. Isaac; Alex N. Bullock; David Smil; Rima Al-awar
Published in: Crossref, Issue 45, 2024, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.3c02308

Image-Based Annotation of Chemogenomic Libraries for Phenotypic Screening

Author(s): Tjaden A, Chaikuad A, Kowarz E, Marschalek R, Knapp S, Schröder M, Müller S.
Published in: Molecules, 2022, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27041439

Organocatalytic Switches of DNA Glycosylase OGG1 Catalyze a Highly Efficient AP‐Lyase Function

Author(s): Mario Kehler, Kaixin Zhou, Aurino M. Kemas, Alicia del Prado, Emma Scaletti Hutchinson, Elinor Hesslefors Nairn, Marek Varga, Yvonne Plattner, Yi Zhong, Oryn Purewal‐Sidhu, James Haslam, Elisée Wiita, Heather Gildie, Karolina Singerova, Zuzanna Szaruga, Ingrid Almlöf, Femke M. Hormann, Kang‐Cheng Liu, Olov Wallner, Florian Ortis, Evert J. Homan, Opher Gileadi, Sean G. Rudd, Pål Stenmark, Mi
Published in: Chemistry – A European Journal, Issue 31, 2025, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.202500382

Author(s): Merveille Eguida, Guillaume Bret, François Sindt, Fengling Li, Irene Chau, Suzanne Ackloo, Cheryl Arrowsmith, Albina Bolotokova, Pegah Ghiabi, Elisa Gibson, Levon Halabelian, Scott Houliston, Rachel J. Harding, Ashley Hutchinson, Peter Loppnau, Sumera Perveen, Almagul Seitova, Hong Zeng, Matthieu Schapira, Didier Rognan
Published in: Journal of Chemical Information and Modeling, Issue 64, 2024, Page(s) 5344-5355, ISSN 1549-9596
Publisher: American Chemical Society
DOI: 10.1021/acs.jcim.4c00601

Advancing drug discovery through assay development: a survey of tool compounds within the human solute carrier superfamily

Author(s): Daniela Digles, Alvaro Ingles-Prieto, Vojtech Dvorak, Tamara A. M. Mocking, Ulrich Goldmann, Andrea Garofoli, Evert J. Homan, Alberto Di Silvio, Lucia Azzollini, Francesca Sassone, Mario Fogazza, Felix Bärenz, Antje Pommereau, Yasmin Zuschlag, Jasper F. Ooms, Jeppe Tranberg-Jensen, Jesper S. Hansen, Josefina Stanka, Hubert J. Sijben, Helena Batoulis, Eckhard Bender, Riccardo Martini, Adriaan P. I
Published in: Frontiers in Pharmacology, Issue 15, 2024, ISSN 1663-9812
Publisher: Frontiers Media S.A.
DOI: 10.3389/fphar.2024.1401599

The identification of high-performing antibodies for Vacuolar protein sorting-associated protein 35 (hVPS35) for use in Western Blot, immunoprecipitation and immunofluorescence

Author(s): Riham Ayoubi, Maryam Fotouhi, Kathleen Southern, Peter S. McPherson, Carl Laflamme, null null, null null
Published in: F1000Research, Issue 12, 2023, Page(s) 452, ISSN 2046-1402
Publisher: F1000 Research Ltd.
DOI: 10.12688/f1000research.133696.1

Recruitment of FBXO22 for targeted degradation of NSD2

Author(s): David Y. Nie, John R. Tabor, Jianping Li, Maria Kutera, Jonathan St-Germain, Ronan P. Hanley, Esther Wolf, Ethan Paulakonis, Tristan M. G. Kenney, Shili Duan, Suman Shrestha, Dominic D. G. Owens, Matthew E. R. Maitland, Ailing Pon, Magdalena Szewczyk, Anthony Joseph Lamberto, Michael Menes, Fengling Li, Linda Z. Penn, Dalia Barsyte-Lovejoy, Nicholas G. Brown, Anthony M. Barsotti, Andrew W. Stamfor
Published in: Nature Chemical Biology, Issue 20, 2024, Page(s) 1597-1607, ISSN 1552-4450
Publisher: Nature Publishing Group
DOI: 10.1038/s41589-024-01660-y

Deep Annotation of Donated Chemical Probes (DCP) in Organotypic Human Liver Cultures and Patient-Derived Organoids from Tumor and Normal Colorectum

Author(s): Claudia Tredup*, Benardina Ndreshkjana, Natalie S. Schneider, Amelie Tjaden, Aurino M. Kemas, Sonia Youhanna, Volker M. Lauschke, Benedict-Tilman Berger, Andreas Krämer, Lena M. Berger, Sandra Röhm, Stefan Knapp, Henner F. Farin, and Susanne Müller*
Published in: ACS Chem Biol, 2023, ISSN 1554-8929
Publisher: American Chemical Society
DOI: 10.1021/acschembio.2c00877

Poly ADP-ribose signaling is dysregulated in Huntington disease

Author(s): Tamara Maiuri, Carlos Barba Bazan, Rachel J. Harding, Nola Begeja, Tae-In Kam, Lauren M. Byrne, Filipe B. Rodrigues, Monica M. Warner, Kaitlyn Neuman, Muqtasid Mansoor, Mohsen Badiee, Morgan Dasovich, Keona Wang, Leslie M. Thompson, Anthony K. L. Leung, Sara N. Andres, Edward J. Wild, Ted M. Dawson, Valina L. Dawson, Cheryl H. Arrowsmith, Ray Truant
Published in: Proceedings of the National Academy of Sciences, Issue 121, 2024, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2318098121

Discovery of a 53BP1 Small Molecule Antagonist Using a Focused DNA-Encoded Library Screen

Author(s): Devan J. Shell, Caroline A. Foley, Qinhong Wang, Chelsea M. Smith, Shiva K. R. Guduru, Hong Zeng, Aiping Dong, Jacqueline L. Norris-Drouin, Matthew Axtman, P. Brian Hardy, Gaorav Gupta, Levon Halabelian, Stephen V. Frye, Lindsey I. James, Kenneth H. Pearce
Published in: Journal of Medicinal Chemistry, Issue 66, 2023, Page(s) 14133-14149, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.3c01192

LRRK2 dynamics analysis identifies allosteric control of the crosstalk between its catalytic domains

Author(s): 9. Weng JH, Aoto PC, Lorenz R, Wu J, Schmidt SH, Manschwetus JT, Kaila-Sharma P, Silletti S, Mathea S, Chatterjee D, Knapp S, Herberg FW, Taylor SS.
Published in: PLoS Biol, 2022, ISSN 1544-9173
Publisher: Public Library of Science
DOI: 10.1371/journal.pbio.3001427

Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders

Author(s): Alena Kroupova, Valentina A. Spiteri, Zoe J. Rutter, Hirotake Furihata, Darren Darren, Sarath Ramachandran, Sohini Chakraborti, Kevin Haubrich, Julie Pethe, Denzel Gonzales, Andre J. Wijaya, Maria Rodriguez-Rios, Manon Sturbaut, Dylan M. Lynch, William Farnaby, Mark A. Nakasone, David Zollman, Alessio Ciulli
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-52871-9

A covalent chemical probe for Chikungunya nsP2 cysteine protease with antialphaviral activity and proteome-wide selectivity

Author(s): Anirban Ghoshal, Edwin G. Tse, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Eric M. Merten, John D. Sears, Stefanie Howell, Sumera Perveen, Jane Burdick, Noah L. Morales, Sabian A. Martinez, Isabella Law, Bennett J. Davenport, Thomas E. Morrison, Zachary J. Streblow, Daniel N. Streblow, Angie L. Mordant, Thomas S. Webb, Aurora Cabrera, Laura E. Herring, Cheryl H. Arrowsmith, Kenneth H. Pearc
Published in: Scientific Reports, Issue 15, 2025, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-025-91673-x

Bioengineered Pancreas–Liver Crosstalk in a Microfluidic Coculture Chip Identifies Human Metabolic Response Signatures in Prediabetic Hyperglycemia

Author(s): Zandi Shafagh, R., Youhanna, S., Keulen, J., Shen, J.X., Taebnia, N., Preiss, L.C., Klein, K., Büttner, F., Bergqvist, M., van der Wijngaart, W., Lauschke, V.M
Published in: Advanced Science, 2022, ISSN 2198-3844
Publisher: Wiley-VCH
DOI: 10.1002/advs.202203368

The Small-Molecule Inhibitor MRIA9 Reveals Novel Insights into the Cell Cycle Roles of SIK2 in Ovarian Cancer Cells

Author(s): Monika Raab, Marcel Rak, Roberta Tesch, Khayal Gasimli, Sven Becker, Stefan Knapp, Klaus Strebhardt, Mourad Sanhaji
Published in: Cancers, Issue 13/15, 2021, Page(s) 3658, ISSN 2072-6694
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/cancers13153658

Discovery of a Potent, Selective, and Cell-Active SPIN1 Inhibitor

Author(s): Yan Xiong, Holger Greschik, Catrine Johansson, Ludwig Seifert, Vicki Gamble, Kwang-su Park, Vincent Fagan, Fengling Li, Irene Chau, Masoud Vedadi, Cheryl H. Arrowsmith, Paul Brennan, Oleg Fedorov, Manfred Jung, Gillian Farnie, Jing Liu, Udo Oppermann, Roland Schüle, Jian Jin
Published in: Journal of Medicinal Chemistry, Issue 67, 2024, Page(s) 5837-5853, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.4c00121

Chemical coverage of human biological pathways

Author(s): Haejin Angela Kwak, Lihua Liu, Claudia Tredup, Sandra Röhm, Panagiotis Prinos, Jark Böttcher, Matthieu Schapira
Published in: Drug Discovery Today, Issue 29, 2024, Page(s) 104144, ISSN 1359-6446
Publisher: Elsevier BV
DOI: 10.1016/j.drudis.2024.104144

Nudix hydrolase 18 catalyzes the hydrolysis of active triphosphate metabolites of the antivirals remdesivir, ribavirin, and molnupiravir

Author(s): Ann-Sofie Jemth1, Emma Rose Scaletti, Evert Homan, Pål Stenmark, Thomas Helleday, and Maurice Michel
Published in: JBC, 2022, ISSN 0021-9258
Publisher: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102169

PRMT7 ablation stimulates anti-tumor immunity and sensitizes melanoma to immune checkpoint blockade.

Author(s): Srour N, Villarreal OD, Hardikar S, Yu Z, Preston S, Miller WH, Szewczyk MM, Barsyte-Lovejoy D, Xu H, Chen T, Del RincÃ³n SV, Richard S
Published in: Cell Rep, 2022, ISSN 2211-1247
Publisher: Cell Press
DOI: 10.1016/j.celrep.2022.110582

The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods

Author(s): Barbara Zdrazil; Eloy Felix; Fiona Hunter; Emma J Manners; James Blackshaw; Sybilla Corbett; Marleen de Veij; Harris Ioannidis; David Mendez Lopez; Juan F Mosquera; Maria Paula Magarinos; Nicolas Bosc; Ricardo Arcila; Tevfik Kizilören; Anna Gaulton; A Patrícia Bento; Melissa F Adasme; Peter Monecke; Gregory A Landrum; Andrew R Leach
Published in: Nucleic Acids Research, 52 (D1), Issue 36, 2023, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkad1004

Phosphorylation-linked complex profiling identifies assemblies required for Hippo signal integration

Author(s): Federico Uliana, Rodolfo Ciuffa, Ranjan Mishra, Andrea Fossati, Fabian Frommelt, Sabrina Keller, Martin Mehnert, Eivind Salmorin Birkeland, Frank van Drogen, Nevena Srejic, Matthias Peter, Nicolas Tapon, Ruedi Aebersold, Matthias Gstaiger
Published in: Molecular Systems Biology, Issue EMBO press, 2023, ISSN 1744-4292
Publisher: Nature Publishing Group
DOI: 10.15252/msb.202211024

Discovery of a Novel Class of Covalent Dual Inhibitors Targeting the Protein Kinases BMX and BTK

Author(s): Michael Forster, Xiaojun Julia Liang, Martin Schröder, Stefan Gerstenecker, Apirat Chaikuad, Stefan Knapp, Stefan Laufer, Matthias Gehringer
Published in: International Journal of Molecular Sciences, Issue 21/23, 2020, Page(s) 9269, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms21239269

A patent review of von Hippel-Lindau (VHL)-recruiting chemical matter: E3 ligase ligands for PROTACs and targeted protein degradation (2019–present)

Author(s): Aina Urbina, Alex J. Hallatt, Jack Robertson, Alessio Ciulli
Published in: Expert Opinion on Therapeutic Patents, Issue 35, 2025, Page(s) 197-238, ISSN 1354-3776
Publisher: Ashley Publications Ltd.
DOI: 10.1080/13543776.2024.2446232

Two FAM134B isoforms differentially regulate ER dynamics during myogenesis

Author(s): Viviana Buonomo, Kateryna Lohachova, Alessio Reggio, Sara Cano-Franco, Michele Cillo, Lucia Santorelli, Rossella Venditti, Elena Polishchuk, Ivana Peluso, Lorene Brunello, Carmine Cirillo, Sara Petrosino, Malan Silva, Rossella De Cegli, Sabrina Di Bartolomeo, Cesare Gargioli, Paolo Swuec, Mirko Cortese, Alexandra Stolz, Ramachandra M Bhaskara, Paolo Grumati
Published in: The EMBO Journal, Issue 44, 2025, Page(s) 1039-1073, ISSN 1460-2075
Publisher: Springer Science and Business Media LLC
DOI: 10.1038/s44318-024-00356-2

Toward target 2035: EUbOPEN - a public–private partnership to enable & unlock biology in the open

Author(s): Claudia Tredup, Suzanne Ackloo, Hartmut Beck, Peter J. Brown, Alex N. Bullock, Alessio Ciulli, Ivan Dikic, Kristina Edfeldt, Aled M. Edwards, Jonathan M. Elkins, Henner F. Farin, Edward A. Fon, Matthias Gstaiger, Judith Günther, Anna-Lena Gustavsson, Sandra Häberle, Laura Isigkeit, Kilian V. M. Huber, Andras Kotschy, Oliver Krämer, Andrew R. Leach, Brian D. Marsden, Hisanori Matsui, Daniel Merk
Published in: RSC Medicinal Chemistry, Issue 16, 2025, Page(s) 457-464, ISSN 2632-8682
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/d4md00735b

Non-alcoholic fatty liver disease - opportunities for personalized treatment and drug development

Author(s): Kemas, A.M., Youhanna, S. Lauschke, V.M.
Published in: Expert Review of Precision Medicine and Drug Development, 2022, ISSN 2380-8993
Publisher: Taylor & Francis
DOI: 10.1080/23808993.2022.2053285

Kinetic characterization of human mRNA guanine-N7 methyltransferase

Author(s): Sumera Perveen, Aliakbar Khalili Yazdi, Taraneh Hajian, Fengling Li, and Masoud Vedadi
Published in: Sci Rep, 2024, ISSN 2045-2322
Publisher: Nature Publishing Group
DOI: 10.1038/s41598-024-55184-5

Reprogramming Transcription Factors Oct4 and Sox2 Induce a BRD-Dependent Immunosuppressive Transcriptome in GBM-Propagating Cells.

Author(s): Ma T, Hu C, Lal B, Zhou W, Ma Y, Ying M, Prinos P, QuiÃ±ones-Hinojosa A, Lim M, Laterra J, Li Y
Published in: Cancer Res, 2021, ISSN 0008-5472
Publisher: American Association for Cancer Research
DOI: 10.1158/0008-5472.can-20-2489

A Toolbox for the Generation of Chemical Probes for Baculovirus IAP Repeat Containing Proteins

Author(s): Schwalm MP, Berger LM, Meuter MN, Vasta JD, Corona CR, Röhm S, Berger BT, Farges F, Beinert SM, Preuss F, Morasch V, Rogov VV, Mathea S, Saxena K, Robers MB, Müller S, Knapp S.
Published in: Front Cell Dev Biol., 2022, ISSN 2296-634X
Publisher: Frontiers Media
DOI: 10.3389/fcell.2022.886537

PSW-Designer: An Open-Source Computational Platform for the Design and Virtual Screening of Photopharmacological Ligands

Author(s): Simon I.A., Homan E.J., Wijtmans M., Sundström M., Leurs R., De Esch I.J.P., Zarzycka B.A.
Published in: Journal of Chemical Information and Modeling, 2023, ISSN 1549-9596
Publisher: American Chemical Society
DOI: 10.1021/acs.jcim.3c01050

RAS and PP2A activities converge on epigenetic gene regulation.

Author(s): Aakula A, Sharma M, Tabaro F, NÃ¤tkin R, Kamila J, Honkanen H, Schapira M, Arrowsmith C, Nykter M, Westermarck J
Published in: Life Sci Alliance, 2023, ISSN 2575-1077
Publisher: Life Science Alliance LLC
DOI: 10.26508/lsa.202301928

Trends in kinase drug discovery: targets, indications and inhibitor design.

Author(s): 39. Attwood MM, Fabbro D, Sokolov AV, Knapp S, Schiöth HB
Published in: Nat Rev Drug Discov, 2021, ISSN 1474-1776
Publisher: Nature Publishing Group
DOI: 10.3390/ijms22147560

3D Adipose Tissue Culture Links the Organotypic Microenvironment to Improved Adipogenesis

Author(s): Joanne X. Shen, Morgane Couchet, Jérémy Dufau, Thais de Castro Barbosa, Maximilian H. Ulbrich, Martin Helmstädter, Aurino M. Kemas, Reza Zandi Shafagh, Marie‐Adeline Marques, Jacob B. Hansen, Niklas Mejhert, Dominique Langin, Mikael Rydén, Volker M. Lauschke
Published in: Advanced Science, 2021, Page(s) 2100106, ISSN 2198-3844
Publisher: Advanced Science
DOI: 10.1002/advs.202100106

The Chemical Probes Portal: an expert review-based public resource to empower chemical probe assessment, selection and use

Author(s): Antolin AA, Sanfelice D, Crisp A, Villasclaras Fernandez E, Mica IL, Chen Y, Collins I, Edwards A, Müller S, Al-Lazikani B, Workman P.
Published in: Nucleic Acids Research, 2022, ISSN 0305-1048
Publisher: Oxford University Press
DOI: 10.1093/nar/gkac909

PharmVar GeneFocus: CYP2B6

Author(s): Zeruesenay Desta, Ahmed El‐Boraie, Li Gong, Andrew A Somogyi, Volker M. Lauschke, Collet Dandara, Kathrin Klein, Neil A. Miller, Teri E. Klein, Rachel F. Tyndale, Michelle Whirl‐Carrillo, Andrea Gaedigk
Published in: Clinical Pharmacology & Therapeutics, 2021, ISSN 0009-9236
Publisher: Nature Publishing Group
DOI: 10.1002/cpt.2166

Discovery of XL01126: A Potent, Fast, Cooperative, Selective, Oral bioavailable and Blood Brain Barrier Penetrant PROTAC Degrader of Leucine Rich Repeat Kinase 2 (LRRK2)

Author(s): Xingui Liu; Alexia Kalogeropulou; Sofia Domingos; Nikolai Makukhin; Raja Nirujogi; Francois Singh; Natalia Shpiro; Anton Saalfrank; Esther Sammler; Ian Ganley; Rui Moreira; Dario Alessi; Alessio Ciulli
Published in: Crossref, Issue 4, 2022, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.26434/chemrxiv-2022-4gzm0

3D microperfusion of mesoscale human microphysiological liver models improves functionality and recapitulates hepatic zonation

Author(s): Milan Finn Wesseler, Nayere Taebnia, Sean Harrison, Sonia Youhanna, Lena C Preiss, Aurino M Kemas, Akos Vegvari, Jaroslav Mokry, Gareth J Sullivan, Volker M Lauschke, Niels B Larsen
Published in: Acta Biomaterialia, 2023, ISSN 1742-7061
Publisher: Elsevier BV
DOI: 10.1016/j.actbio.2023.09.022

Organotypic human ex vivo models for coronavirus disease 2019 research and drug development

Author(s): Sonia Youhanna, Shane C. Wright, Volker M. Lauschke
Published in: Current Opinion in Pharmacology, Issue 59, 2021, Page(s) 11-18, ISSN 1471-4892
Publisher: Elsevier BV
DOI: 10.1016/j.coph.2021.04.006

Development of Peptide Displacement Assays to Screen for Antagonists of DDB1 Interactions

Author(s): Darren Yong, Shabbir Ahmad, Mark F. Mabanglo, Levon Halabelian, Matthieu Schapira, Suzanne Ackloo, Sumera Perveen, Pegah Ghiabi, Masoud Vedadi
Published in: Biochemistry, Issue 63, 2024, Page(s) 1297-1306, ISSN 0006-2960
Publisher: American Chemical Society
DOI: 10.1021/acs.biochem.4c00044

Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.

Author(s): Kim TE, Tsuboyama K, Houliston S, Martell CM, Phoumyvong CM, Lemak A, Haddox HK, Arrowsmith CH, Rocklin GJ
Published in: Proc Natl Acad Sci U S A, 2022, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.1073/pnas.2122676119

Illumination of understudied ciliary kinases

Author(s): Raymond G Flax, Peter Rosston, Cecilia Rocha, Brian Anderson, Jacob L Capener, Thomas M Durcan, David H Drewry, Panagiotis Prinos and Alison D Axtman.
Published in: Frontiers in Molecular Biosciences, 2024, ISSN 2296-889X
Publisher: Frontiers Media
DOI: 10.3389/fmolb.2024.1352781

Huntingtin is an RNA binding protein and participates in NEAT1 -mediated paraspeckles

Author(s): Manisha Yadav, Rachel J. Harding, Tiantian Li, Xin Xu, Terence Gall-Duncan, Mahreen Khan, Costanza Ferrari Bardile, Glen L. Sequiera, Shili Duan, Renu Chandrasekaran, Anni Pan, Jiachuan Bu, Tomohiro Yamazaki, Tetsuro Hirose, Panagiotis Prinos, Lynette Tippett, Clinton Turner, Maurice A. Curtis, Richard L.M. Faull, Mahmoud A. Pouladi, Christopher E. Pearson, Housheng Hansen He, Cheryl H. Arrowsmith
Published in: Science Advances, Issue 10, 2024, ISSN 2375-2548
Publisher: American Association for the Advancement of Science (AAAS)
DOI: 10.1126/sciadv.ado5264

Structural basis of TMPRSS11D specificity and autocleavage activation

Author(s): Bryan J. Fraser, Ryan P. Wilson, Sára Ferková, Olzhas Ilyassov, Jackie Lac, Aiping Dong, Yen-Yen Li, Alma Seitova, Yanjun Li, Zahra Hejazi, Tristan M. G. Kenney, Linda Z. Penn, Aled Edwards, Richard Leduc, Pierre-Luc Boudreault, Gregg B. Morin, François Bénard, Cheryl H. Arrowsmith
Published in: Nature Communications, Issue 16, 2025, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-025-59677-3

Antecedent chromatin organization determines cGAS recruitment to ruptured micronuclei.

Author(s): MacDonald KM, Nicholson-Puthenveedu S, Tageldein MM, Khasnis S, Arrowsmith CH, Harding SM
Published in: Nat Commun, 2023, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-023-36195-8

Design, Synthesis, and Evaluation of WD-Repeat-Containing Protein 5 (WDR5) Degraders

Author(s): Anja Dölle, Bikash Adhikari, Andreas Krämer, Janik Weckesser, Nicola Berner, Lena-Marie Berger, Mathias Diebold, Magdalena M. Szewczyk, Dalia Barsyte-Lovejoy, Cheryl H. Arrowsmith, Jakob Gebel, Frank Löhr, Volker Dötsch, Martin Eilers, Stephanie Heinzlmeir, Bernhard Kuster, Christoph Sotriffer, Elmar Wolf, Stefan Knapp
Published in: Journal of Medicinal Chemistry, 2021, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.1c00146

The genetic landscape of major drug metabolizing cytochrome P450 genes—an updated analysis of population-scale sequencing data

Author(s): Zhou, Y., Lauschke, V.M.
Published in: The Pharmacogenomics Journal, 2022, ISSN 1470-269X
Publisher: Nature Publishing Group
DOI: 10.1038/s41397-022-00288-2

Practice guidance documents for the diagnosis and management of non-alcoholic fatty liver disease—recent updates and open questions

Author(s): Volker M. Lauschke
Published in: Hepatobiliary Surg Nutr, 2023, ISSN 2304-3881
Publisher: AME Publishing Company
DOI: 10.21037/hbsn-23-376

3D human liver spheroids for translational pharmacology and toxicology

Author(s): Magnus Ingelman‐Sundberg, Volker M. Lauschke
Published in: Basic & Clinical Pharmacology & Toxicology, 2021, ISSN 1742-7835
Publisher: Nordic Pharmacological Society
DOI: 10.1111/bcpt.13587

Trivalent PROTACs enhance protein degradation via combined avidity and cooperativity

Author(s): Imaide, S., Riching, K.M., Makukhin, N., Vetma, V., Whitworth, C., Hughes, S.J., Trainor, N., Mahan, S.D., Murphy, N., Cowan, A.D., Chan, K.-H., Craigon, C., Testa, A., Maniaci, C., Urh, M., Daniels, D.L.; Ciulli, A.
Published in: Nature Chemical Biology, 2021, ISSN 1552-4450
Publisher: Nature Publishing Group
DOI: 10.1038/s41589-021-00878-4

Population pharmacogenomics: an update on ethnogeographic differences and opportunities for precision public health

Author(s): Zhou, Y. & Lauschke, V. M.
Published in: Human Genetics, 2021, ISSN 0340-6717
Publisher: Springer Verlag
DOI: 10.1007/s00439-021-02385-x

Aurora Kinase A Is Involved in Controlling the Localization of Aquaporin-2 in Renal Principal Cells

Author(s): Baltzer S, Bulatov T, Schmied C, Krämer A, Berger BT, Oder A, Walker-Gray R, Kuschke C, Zühlke K, Eichhorst J, Lehmann M, Knapp S, Weston J, von Kries JP, Süssmuth RD, Klussmann E.
Published in: Int J Mol Sci, 2022, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms23020763

Critical assessment of LC3/GABARAP ligands used for degrader development and ligandability of LC3/GABARAP binding pockets

Author(s): Martin P. Schwalm, Johannes Dopfer, Adarsh Kumar, Francesco A. Greco, Nicolas Bauer, Frank Löhr, Jan Heering, Sara Cano-Franco, Severin Lechner, Thomas Hanke, Ivana Jaser, Viktoria Morasch, Christopher Lenz, Daren Fearon, Peter G. Marples, Charles W. E. Tomlinson, Lorene Brunello, Krishna Saxena, Nathan B. P. Adams, Frank von Delft, Susanne Müller, Alexandra Stolz, Ewgenij Proschak, Bernhard Kus
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-54409-5

A consensus platform for antibody characterization

Author(s): Riham Ayoubi, Joel Ryan, Sara Gonzalez Bolivar, Charles Alende, Vera Ruiz Moleon, Maryam Fotouhi, Mona Alqazzaz, Kathleen Southern, Walaa Alshafie, Matt R. Baker, Alexander R. Ball, Danielle Callahan, Jeffery A. Cooper, Katherine Crosby, Kevin J. Harvey, Douglas W. Houston, Ravindran Kumaran, Meghan Rego, Christine Schofield, Hai Wu, Michael S. Biddle, Claire M. Brown, Richard A. Kahn, Anita Bandr
Published in: Nature Protocols, Issue 20, 2025, Page(s) 1509-1545, ISSN 1754-2189
Publisher: Nature Publishing Group
DOI: 10.1038/s41596-024-01095-8

Development of Inhibitors, Probes, and PROTAC Provides a Complete Toolbox to Study PARK7 in the Living Cell

Author(s): Yuqing Jia, Merve Oyken, Robbert Q. Kim, Rayman T.N. Tjokrodirijo, Arnoud H. de Ru, Antonius P. A. Janssen, Stephan M. Hacker, Peter A. van Veelen, Paul P. Geurink, Aysegul Sapmaz
Published in: Journal of Medicinal Chemistry, Issue 67, 2024, Page(s) 7935-7953, ISSN 0022-2623
Publisher: American Chemical Society
DOI: 10.1021/acs.jmedchem.3c02410

Nucelotide Binding, Evolutionary Insights and Interaction Partners of the Pseudokinase Unc-51-like Kinase 4

Author(s): Preuss, F.; Knapp,S.; Chatterjee,D.; Mathea,S.; Shrestha,S.; St-Germain,J.; Saha, S.; Kannan, N.; Raught,B.; Rottapel, R.
Published in: Structure, 2020, ISSN 0969-2126
Publisher: Cell Press
DOI: 10.1016/j.str.2020.07.016

ALK2 Receptor Kinase Association with FKBP12.6 Is Structurally Conserved with the ALK2-FKBP12 Complex

Author(s): Eleanor Williams, Elise Riesebos, Georgina Kerr, Alex N. Bullock
Published in: Biomedicines, Issue 9/2, 2021, Page(s) 129, ISSN 2227-9059
Publisher: MDPI
DOI: 10.3390/biomedicines9020129

Calcium measurements in enzymatically dissociated or mechanically microdissected mouse primary skeletal muscle fibers

Author(s): Youhanna S, Bruton J, Jardemark K, Westerblad H, Lauschke VM
Published in: STAR protocols, 2023, ISSN 2666-1667
Publisher: Cell Press
DOI: 10.1016/j.xpro.2023.102260

Targeting TRIM Proteins: A Quest towards Drugging an Emerging Protein Class

Author(s): Francesca D'Amico, Rishov Mukhopadhyay, Huib Ovaa, Monique P. C. Mulder
Published in: ChemBioChem, 2021, ISSN 1439-4227
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/cbic.202000787

Phosphorylation of the DNA repair scaffold SLX4drives folding of the SAP domain and activation of theMUS81-EME1 endonucleas

Author(s): Payliss BJ, Tse YWE, Reichheld SE, Lemak A, Yun HY, Houliston S, Patel A, Arrowsmith CH, Sharpe S, Wyatt HDM
Published in: Cell Reports, 2022, ISSN 2211-1247
Publisher: Cell Press
DOI: 10.1016/j.celrep.2022.111537

Autoinhibition of ubiquitin-specific protease 8: Insights into domain interactions and mechanisms of regulation

Author(s): Cody Caba, Megan Black, Yujue Liu, Ashley A. DaDalt, Josh Mallare, Lixin Fan, Rachel J. Harding, Yun-Xing Wang, Panayiotis O. Vacratsis, Rui Huang, Zhihao Zhuang, Yufeng Tong
Published in: Journal of Biological Chemistry, Issue 300, 2025, Page(s) 107727, ISSN 0021-9258
Publisher: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2024.107727

The use of a multi-metric readout screen to identify EHMT2/G9a-inhibition as a modulator of cancer-associated fibroblast activation state

Author(s): Nila C. Wu, Rene Quevedo, Michelle Nurse, Kebria Hezaveh, Haijiao Liu, Fumao Sun, Julien Muffat, Yu Sun, Craig A. Simmons, Tracy L. McGaha, Panagiotis Prinos, Cheryl H. Arrowsmith, Laurie Ailles, Elisa D'Arcangelo, Alison P. McGuigan
Published in: Biomaterials, Issue 314, 2024, Page(s) 122879, ISSN 0142-9612
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.biomaterials.2024.122879

JAK inhibition reduces SARS-CoV-2 liver infectivity and modulates inflammatory responses to reduce morbidity and mortality

Author(s): Justin Stebbing, Ginés Sánchez Nievas, Marco Falcone, Sonia Youhanna, Peter Richardson, Silvia Ottaviani, Joanne X. Shen, Christian Sommerauer, Giusy Tiseo, Lorenzo Ghiadoni, Agostino Virdis, Fabio Monzani, Luis Romero Rizos, Francesco Forfori, Almudena Avendaño Céspedes, Salvatore De Marco, Laura Carrozzi, Fabio Lena, Pedro Manuel Sánchez-Jurado, Leonardo Gianluca Lacerenza, Nencioni Cesira,
Published in: Science Advances, Issue 7/1, 2021, Page(s) eabe4724, ISSN 2375-2548
Publisher: Science
DOI: 10.1126/sciadv.abe4724

CACHE (Critical Assessment of Computational Hit-finding Experiments): A public–private partnership benchmarking initiative to enable the development of computational methods for hit-finding

Author(s): Ackloo S, Al-awar R, Amaro RE, Arrowsmith CH, Azevedo H, Batey RA, et al.
Published in: Nat Rev Chem, 2022, ISSN 1755-4330
Publisher: Nature Publishing Group
DOI: 10.1038/s41570-022-00363-z

Interplay between β-propeller subunits WDR26 and muskelin regulates the CTLH E3 ligase supramolecular complex

Author(s): Matthew E. R. Maitland, Gabriel Onea, Dominic D. G. Owens, Brianna C. Gonga-Cavé, Xu Wang, Cheryl H. Arrowsmith, Dalia Barsyte-Lovejoy, Gilles A. Lajoie, Caroline Schild-Poulter
Published in: Communications Biology, Issue 7, 2024, Page(s) Communications Biology, ISSN 2399-3642
Publisher: Springer Science and Business Media LLC
DOI: 10.1038/s42003-024-07371-3

Leveraging Dual-Ligase Recruitment to Enhance Protein Degradation via a Heterotrivalent Proteolysis Targeting Chimera

Author(s): Adam G. Bond, Miquel Muñoz i Ordoño, Celia M. Bisbach, Conner Craigon, Nikolai Makukhin, Elizabeth A. Caine, Manjula Nagala, Marjeta Urh, Georg E. Winter, Kristin M. Riching, Alessio Ciulli
Published in: Journal of the American Chemical Society, Issue 146, 2024, Page(s) 33675-33711, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.4c11556

Crimean-Congo haemorrhagic fever virus uses LDLR to bind and enter host cells.

Author(s): Monteil VM, Wright SC, Dyczynski M, Kellner MJ, Appelberg S, Platzer SW, Ibrahim A, Kwon H, Pittarokoilis I, Mirandola M, Michlits G, Devignot S, Elder E, Abdurahman S, Bereczky S, Bagci B, Youhanna S, Aastrup T, Lauschke VM, Salata C, Elaldi N, Weber F, Monserrat N, Hawman DW, Feldmann H, Horn M, Penninger JM, Mirazimi A.
Published in: Nat Microbiol., 2024, ISSN 2058-5276
Publisher: Nature
DOI: 10.1038/s41564-024-01672-3

Structural basis of the TAM domain of BAZ2A in binding toDNA or RNA independent of methylation status

Author(s): Chen S, Zhou M, Dong A, Loppnau P, Wang M, Min J, Liu K
Published in: J Biol Chem, 2021, ISSN 0021-9258
Publisher: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2021.101351

PRMT1 inhibition perturbs RNA metabolism and induces DNA damage in clear cell renal cell carcinoma

Author(s): Joseph Walton, Angel S. N. Ng, Karen Arevalo, Anthony Apostoli, Jalna Meens, Christina Karamboulas, Jonathan St-Germain, Panagiotis Prinos, Julia Dmytryshyn, Eric Chen, Cheryl H. Arrowsmith, Brian Raught, Laurie Ailles
Published in: Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-52507-y

Cellular Validation of a Chemically Improved Inhibitor Identifies Monoubiquitination on OTUB2

Author(s): Jin Gan, Jelle de Vries, Jimmy J. L. L. Akkermans, Yassene Mohammed, Rayman T. N. Tjokrodirijo, Arnoud H. de Ru, Robbert Q. Kim, David A. Vargas, Vito Pol, Rudi Fasan, Peter A. van Veelen, Jacques Neefjes, Hans van Dam, Huib Ovaa, Aysegul Sapmaz,* and Paul P. Geurink*
Published in: ACS Chem. Biol., 2023, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/acschembio.3c00227

JAK Inhibitors — More Than Just Glucocorticoids

Author(s): Justin Stebbing, Volker M. Lauschke
Published in: New England Journal of Medicine, Issue 385/5, 2021, Page(s) 463-465, ISSN 0028-4793
Publisher: Massachusetts Medical Society
DOI: 10.1056/nejme2108667

DNA double-strand break-derived RNA drives TIRR/53BP1 complex dissociation

Author(s): Ketley RF., Battistini F., Alagia A., Mondielli C., Iehl F., Balikçi E., Huber KVM., Orozco M., Gullerova M.
Published in: Cell Reports, 2022, ISSN 2211-1247
Publisher: Cell Press
DOI: 10.1016/j.celrep.2022.111526

Development of potent dual BET/HDAC inhibitorsviapharmacophore merging and structure-guided optimization

Author(s): Nicolas Bauer; Dimitrios-Ilias Balourdas; Joel R. Schneider; Xin Zhang; Lena M. Berger; Benedict-Tilman Berger; Nick A. Klopp; Jens T. Siveke; Stefan Knapp; Andreas C. Joerger
Published in: Crossref, Issue 5, 2023, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.07.18.547334

Potent and Selective SETDB1 Covalent Negative Allosteric Modulator Reduces Methyltransferase Activity in Cells

Author(s): Mélanie Uguen, Devan J. Shell, Madhushika Silva, Yu Deng, Fengling Li, Magdalena M. Szewczyk, Ka Yang, Yani Zhao, Michael A. Stashko, Jacqueline L. Norris-Drouin, Jarod M. Waybright, Serap Beldar, Justin M. Rectenwald, Angie L. Mordant, Thomas S. Webb, Laura E. Herring, Cheryl H. Arrowsmith, Suzanne Ackloo, Steven P. Gygi, Robert K. McGinty, Dalia Barsyte-Lovejoy, Pengda Liu, Levon Halabelian, Li
Published in: Biorxiv, 2025, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.09.27.615363

Editorial: Beyond protein degradation and lysine modification: novel insights into non-canonical ubiquitination

Author(s): Aysegul Sapmaz, Jin Gan, Darragh P. O’Brien, Adán Pinto-Fernández
Published in: Frontiers in Molecular Biosciences, Issue 11, 2024, ISSN 2296-889X
Publisher: Frontiers Media SA
DOI: 10.3389/fmolb.2024.1461356

Enantioselective Protein Affinity Selection Mass Spectrometry (E-ASMS)

Author(s): Xiaoyun Wang, Jianxian Sun, Shabbir Ahmad, Diwen Yang, Fengling Li, U Hang Chan, Hong Zeng, Conrad V. Simoben, Stuart R. Green, Madhushika Silva, Scott Houliston, Aiping Dong, Albina Bolotokova, Elisa Gibson, Maria Kutera, Pegah Ghiabi, Ivan Kondratov, Tetiana Matviyuk, Alexander Chuprina, Danai Mavridi, Christopher Lenz, Andreas C. Joerger, Benjamin D. Brown, Richard B. Heath, Wyatt W. Yue, Lucy
Published in: BioRXiv, 2025, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.01.17.633682

Systematic comparison of dCas9-based DNA methylation epimodifiers over time indicates efficient on-target and widespread off-target effects

Author(s): Majid Pahlevan Kakhki, Fatemeh Rangani, Ewoud Ewing, Chiara Starvaggi Cucuzza, Galina Zheleznyakova, Maria Kalomoiri, Tejaswi Venkata S. Badam, Ruxandra Covacu, Ioanna Andreou, Maria Needhamsen, Lara Kular, Maja Jagodic
Published in: Biorxiv, 2025, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.03.15.641804

High-throughput protein target mapping enables accelerated bioactivity discovery for ToxCast and PFAS compounds

Author(s): Diwen Yang, Xiaoyun Wang, Jiabao Liu, Yufeng Gong, Pranav Nair, Jianxian Sun, Xing Qian, Claire Cui, Hong Zeng, Aiping Dong, Rachel J. Harding, Nicola Burgess-Brown, Tyler S. Beyett, Datong Song, Henry Krause, Miriam L. Diamond, Derek L. Bolhuis, Nicholas G. Brown, Cheryl H. Arrowsmith, Aled M. Edwards, Levon Halabelian, Hui Peng
Published in: bioRxiv, 2025, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.03.20.644436

Discovery of a cell-active chikungunya virus nsP2 protease inhibitor using a covalent fragment-based screening approach

Author(s): Eric M. Merten, John D. Sears, Tina M. Leisner, Paul B. Hardy, Anirban Ghoshal, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Peter J. Brown, Michael A. Stashko, Laura Herring, Angie L. Mordant, Thomas S. Webb, Christine A. Mills, Natalie K. Barker, Zachary J. Streblow, Sumera Perveen, Cheryl Arrowsmith, Jamie J. Arnold, Craig E Cameron, Daniel N. Streblow, Nathaniel J. Moorman, Mark Heise, T
Published in: Biorxiv, 2024, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.03.22.586341

Large-scale discovery, analysis, and design of protein energy landscapes

Author(s): Állan J. R. Ferrari, Sugyan M. Dixit, Jane Thibeault, Mario Garcia, Scott Houliston, Robert W. Ludwig, Pascal Notin, Claire M. Phoumyvong, Cydney M. Martell, Michelle D. Jung, Kotaro Tsuboyama, Lauren Carter, Cheryl H. Arrowsmith, Miklos Guttman, Gabriel J. Rocklin
Published in: bioRxiv, 2025, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.03.20.644235

k-Nearest Neighbour Adaptive Sampling (kNN-AS), a Simple Tool to Efficiently Explore Conformational Space

Author(s): Evianne Rovers, Anvith Thudi, Chris Maddison, Matthieu Schapira
Published in: bioRxiv, Issue bioRxiv, 2025, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.03.05.641673

Recruitment of FBXO22 for Targeted Degradation of NSD2

Author(s): avid Y. Nie, John R. Tabor, Jianping Li, Maria Kutera, Jonathan St-Germain, Ronan P. Hanley, Esther Wolf, Ethan Paulakonis, Tristan M.G. Kenney, Shili Duan, Suman Shrestha, Dominic D.G. Owens, Ailing Pon, Magdalena Szewczyk, Anthony Joseph Lamberto, Michael Menes, Fengling Li, Dalia Barsyte-Lovejoy, Nicholas G. Brown, Anthony M. Barsotti, Andrew W. Stamford, Jon L. Collins, Derek J. Wilson, Brian
Published in: Biorxiv, 2024, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.11.01.564830

A Covalent Chemical Probe for Chikungunya nsP2 Cysteine Protease with Antialphaviral Activity and Proteome-wide Selectivity

Author(s): Timothy Willson, Anirban Ghoshal, Edwin Tse, Mohammad Anwar Hossain, Kesatebrhan Haile Asressu, Eric Merten, John Sears, Stefanie Howell, Sumers Perveen, Jane Burdick, Noah Morales, Sabian Martinez, Isabella Law, Davenport Bennett, Thomas Morrison, Zachary Strebblow, Daniel Streblow, Angie Mordant, Thomas Webb, Aurora Cabrera, Laura Herring, Cheryl Arrowsmith, Kenneth Pearce, Nathaniel Moorman, Ma
Published in: Research Square, 2024, ISSN 2693-5015
Publisher: Research Sqare
DOI: 10.21203/rs.3.rs-5363451/v1

Probing the mechanism of Cbl-b inhibition by a small molecule inhibitor

Author(s): Serah Kimani, Sumera Perveen, Magdalena Szewezyk, Hong Zeng, Aiping Dong, Fengling Li, Pegah Ghiabi, Yanjun Li, Irene Chau, Cheryl Arrowsmith, Dalia Barsyte-Lovejoy, Vijayaratnam Santhakumar*, Masoud Vedadi, Levon Halabelian*
Published in: Biorxiv, 2023, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.05.05.539612

Structure Activity of β-Amidomethyl Vinyl Sulfones as Covalent Inhibitors ofChikungunyansP2 Cysteine Protease with Anti-alphavirus Activity

Author(s): Anirban Ghoshal, Kesatebrhan Haile Asressu, Mohammad Anwar Hossain, Peter J. Brown, Eric M. Merten, John D. Sears, Sumera Perveen, Kenneth H. Pearce, Konstantin I. Popov, Nathaniel J. Moorman, Mark T. Heise, Timothy M. Willson
Published in: Biorxiv, 2024, ISSN 2692-8205
Publisher: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.06.12.598722

Rewiring of catecholamine-induced calcium signalling is an early event in non-alcoholic fatty liver disease

Author(s): Shane C. Wright, Volker M. Lauschke
Published in: The Journal of Physiology, 2023
Publisher: Wiley-Blackwell
DOI: 10.1113/jp284526

Searching for OpenAIRE data...

Deliverables

Publications

Share this page Share this page on social networks

Download Download the content of the page