Infrastructure for transnational access and discovery in structural biology

CORDIS fornisce collegamenti ai risultati finali pubblici e alle pubblicazioni dei progetti ORIZZONTE.

I link ai risultati e alle pubblicazioni dei progetti del 7° PQ, così come i link ad alcuni tipi di risultati specifici come dataset e software, sono recuperati dinamicamente da .OpenAIRE .

Risultati finali

Initial Data Management plan
Second update of the iNEXT-Discovery Data Management plan

Second update of the iNEXTDiscovery Data Management plan

API for structure refinement and model building pipeline for fragment screening
Report on structural biology data management practices

Report on structural biology data management practices (EMBL-EBI)

Next generation of myISPyB available to all facilities
Generation of PDB-Dev-compatible mmCIF files from models / restraints

Generation of PDBDevcompatible mmCIF files from models restraints

Report on standardized data model for fragment screening data

Report on standardized data model for fragment screening data EMBLEBI

Protocol and standards for NMR fragment screening experiments
API enabling communication between crystallization facilities and synchrotrons

API enabling communication between crystallization facilities and synchrotrons (EMBL-GR)

First update of the iNEXT-Discovery Data Management plan
Tools and protocols for BMRB deposition of protein interaction data
Database blueprint for NMR (meta)data for fragment screening

Database blueprint for NMR metadata for fragment screening

33 specialized access days to cryo-EM at CEITEC
Protocols for joint NMR/cryo-EM structural refinement of membrane proteins and viral capsids

Protocols for joint NMRcryoEM structural refinement of membrane proteins and viral capsids

910 hours to MX, BioSAXS, plate screens and in vivo crystallisation at SOLEIL
9 fragment campaigns at HZB-MX
130 days to solid-state NMR at BMRZ

30 days to solid-state NMR at BMRZ

Instrument for automated measurement of ice thickness in cryo-EM

Instrument for automated measurement of ice thickness in cryoEM EMBLHD

Characterization of RNA refolding by in-cell NMR

Characterization of RNA refolding by incell NMR

Protocol isotope labelled photochemically locked RNAs in prokaryotes
New statistical model implemented in PanDDA software
856 hours to ALBA-CELLS
130 days to solid-state NMR at CERM/CIRMMP
203 days to solution NMR at UU
40 days of high-resolution cryo-EM at CBI
192 hours of SSX to the BioMAX at MAX IV
86 days of cryo-EM at AU
NMR for kinetics and thermodynamics of protein-ligand interaction

NMR for kinetics and thermodynamics of proteinligand interaction

250 days to solution NMR at BMRZ

350 days to solution NMR at BMRZ

Second report on training activities
140 days for macromolecular interactions at NKI
Approved schematic plan for iNEXT-Discovery ARIA
Scripts for automatization of 3D fiducialisation in SRCLXM
106 days of cryo-EM access at NeCEN
Robust, automated sample evaluation workflow for X-ray crystallography

Robust, automated sample evaluation workflow for X-ray crystallography (EMBL-HH)

Report on Thematic Calls
12 cryo soft X-ray tomography experiments at DIAMOND
Protocols for lamella production with cryo-FIB

Protocols for lamella production with cryoFIB

Provide grid maps scored based on ice thickness to microscope

Provide grid maps scored based on ice thickness to microscope EMBLHD

Workflow for real-time in-cell NMR measurements in the bioreactor

Workflow for realtime incell NMR measurements in the bioreactor

Data exchange standards for dataset exchange and analysis
First report on training activities
Data collection protocols optimized for ligand detection

Data collection protocols optimized for ligand detection (EMBL-GR)

152 days of access to the CryoCNB facility
Dissemination plan
208 days of supervised standard cryo-EM at EMBL-HD
First report on outreach and dissemination
Review of implementation quality and improved usage
116 days of solution NMR at RALF-NMR, Grenoble
Report on networking within the consortium and with (potential) users
71 days of access to electron microscopy platform at ABSL
Robust, automated sample evaluation workflow for single-particle cryo-EM

Robust automated sample evaluation workflow for singleparticle cryoEM

Optimised NMR experiments for light-induced kinetics and transitions

Optimised NMR experiments for lightinduced kinetics and transitions

Diffraction-based score as a function of each crystallization condition

Diffraction-based score as a function of each crystallization condition (EMBL-HH)

In situ NMR laser illumination device combing at least 3 wavelengths
NMR methods for site-specific measurement of dynamical parameters

NMR methods for sitespecific measurement of dynamical parameters

Protocols for 3D fiducialisation for SRCLXM and SRCLEM
Scripts for cryo-FIB automatization

Scripts for cryoFIB automatization EMBLHD

Robust, automated implementation of sample evaluation workflow for cryo-ET

Robust automated implementation of sample evaluation workflow for cryoET

Report on user experience about iNEXT-Discovery access protocols
Report to Open Science journal on iNEXT-Discovery Covid-19 research projects
List of ARIA captured data for proposal and user experience evaluation approved
29 days of cryo-EM/tomography at CBI
Web report of capabilities to conduct time-resolved NMR experiments
113 days of sample preparation and characterization at EMBL-HH
Second report on outreach and dissemination
Report on outreach activities to attract industry users

Report on outreach activities to attract industry users EMBLGR

88 days of solid-state NMR at RALF-NMR, Lyon
Final report
220 days to NMR at CEITEC
Proof of concept for advance data analysis pipelines at EMBL-GR
Protocol isotope labelled photochemically locked RNAs in eukaryotes
Sustainability Working Group meeting report
202 days to solid-state NMR at UU (min. 50 days DNP)

202 days to solid-state NMR at UU (minimum of 50 days DNP)

Document on collaboration of iNEXT-Discovery and food community
10 days to Online Crystallography at EMBL-GR
1320 hours of MX/SAXS at EMBL-HH
Analysis of binding location and affinity increase of ligated fragments
126 days of access to cryo-EM at DIAMOND
320 hours to the HZB-MX beamlines
Second progress report
Software framework for custom-built data analysis pipelines

Software framework for custombuilt data analysis pipelines

Protocols to correlate cellular ssNMR with cryo-EM and microscopy readouts

Protocols to correlate cellular ssNMR with cryoEM and microscopy readouts

72 days to fragment screening by MX at EMBL-GR
12 fragment screening campaigns at DIAMOND
Report on expanding interaction possibilities with industry

Report on expanding interaction possibilities with industry (EMBL-GR)

262 days to solution NMR at CERM/CIRMMP
Position paper on developments in time-resolved structural biology approaches
60 days of correlative cryo-EM at EMBL-HD
115 standard access days to cryo-EM at CEITEC
Report on measures to compensate for the absence of hands-on on-site training

Report on measures to compensate for the absence of handson onsite training M24 NKI

10 serial, 8 nanocrystallography, 10 long wavelength experiments at DIAMOND
Processing of multiple facility data in common pipelines
Sustainability plan
ssNMR methods for kinetics of drug-receptor interaction in cell surfaces

ssNMR methods for kinetics of drugreceptor interaction in cell surfaces

First progress report
Investigation of RNA refolding from user application
Tool for identification of follow-up compounds from fragment hits

Tool for identification of followup compounds from fragment hits

77 days of optimization cryo-EM at CBI
70 Mail-in bioSAXS experiments at DIAMOND
6 days to ligand binding characterization at EMBL-GR
Combining solution NMR and SAXS/SANS data for IDPs

Combining solution NMR and SAXSSANS data for IDPs

Light-induced transition in a photo-switchable fluorescent protein

Lightinduced transition in a photoswitchable fluorescent protein

440 hours of FragMAX at MAX IV
Software tool for automated analysis of spectra
Management Guidelines in place
Pilot repository for fragment screening data

Pilot repository for fragment screening data (EMBL-EBI)

Cryo-EM image-based quality scores by on-the-fly image processing

CryoEM imagebased quality scores by onthefly image processing

Pubblicazioni

Ligand-Based Competition Binding by Real-Time 19F NMR in Human Cells

Autori: Luchinat E, Barbieri L, Davis B, Brough PA, Pennestri M, Banci L.
Pubblicato in: Journal of Medicinal Chemistry, 2024, ISSN 1520-4804
Editore: American Chemical Society
DOI: 10.1021/acs.jmedchem.3c01600

The CCP4 suite: integrative software for macromolecular crystallography

Autori: Agirre J, Atanasova M, Bagdonas H, Ballard CB, Baslé A, Beilsten-Edmands J, Borges RJ, Brown DG, Burgos-Mármol JJ, Berrisford JM, Bond PS, Caballero I, Catapano L, Chojnowski G, Cook AG, Cowtan KD, Croll TI, Debreczeni JÉ, Devenish NE, Dodson EJ, Drevon TR, Emsley P, Evans G, Evans PR, Fando M, Foadi J, Fuentes-Montero L, Garman EF, Gerstel M, Gildea RJ, Hatti K, Hekkelman ML, Heuser P, Hoh SW,
Pubblicato in: Acta Crystallogr D Struct Biol., 2023, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798323003595

Overarching control of autophagy and DNA damage response by CHD6 revealed by modeling a rare human pathology

Autori: Yulia Kargapolova, Rizwan Rehimi, Hülya Kayserili, Joanna Brühl, Konstantinos Sofiadis, Anne Zirkel, Spiros Palikyras, Athanasia Mizi, Yun Li, Gökhan Yigit, Alexander Hoischen, Stefan Frank, Nicole Russ, Jonathan Trautwein, Bregje van Bon, Christian Gilissen, Magdalena Laugsch, Eduardo Gade Gusmao, Natasa Josipovic, Janine Altmüller, Peter Nürnberg, Gernot Längst, Frank J. Kaiser, Erwan Watr
Pubblicato in: Nature Communications, Numero 12/1, 2021, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-021-23327-1

Studies on the Interaction between Model Proteins and Fluorinated Ionic Liquids

Autori: Alves MMS, Melo MN, Mertens HDT, Pereiro AB, Archer M
Pubblicato in: Pharmaceutics, 2023, ISSN 1999-4923
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/pharmaceutics15010157

Status and perspective of protein crystallography at the first multi-bend achromat based synchrotron MAX IV

Autori: Ana Gonzalez, Tobias Krojer, Jie Nan, Monika Bjelčić, Swati Aggarwal, Ishkan Gorgisyan, Mirko Milas, Mikel Eguiraun, Cecilia Casadei, Manoop Chenchiliyan, Andrius Jurgilaitis, David Kroon, Byungnam Ahn, John Carl Ekström, Oskar Aurelius, Dean Lang, Thomas Ursby, Marjolein M. G. M. Thunnissen
Pubblicato in: Journal of Synchrotron Radiation, Numero 32, 2025, ISSN 1600-5775
Editore: Journal of Synchrotron Radiation
DOI: 10.1107/s1600577525002255

Modulation of Aβ42 Aggregation Kinetics and Pathway by Low‐Molecular‐Weight Inhibitors

Autori: Marie‐Theres Hutchison, Giovanni Bellomo, Alexey Cherepanov, Elke Stirnal, Boris Fürtig, Christian Richter, Verena Linhard, Elina Gurewitsch, Moreno Lelli, Nina Morgner, Thomas Schrader, Harald Schwalbe
Pubblicato in: ChemBioChem, Numero 24, 2023, ISSN 1439-4227
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/cbic.202200760

Algorithmic robustness to preferred orientations in single particle analysis by CryoEM

Autori: C.O.S. Sorzano, D. Semchonok, S.-C. Lin, Y.-C. Lo, J.L. Vilas, A. Jiménez-Moreno, M. Gragera, S. Vacca, D. Maluenda, M. Martínez, E. Ramírez-Aportela, R. Melero, A. Cuervo, J.J. Conesa, P. Conesa, P. Losana, L. del Caño, J. Jiménez de la Morena, Y.C. Fonseca, R. Sánchez-García, D. Strelak, E. Fernández-Giménez, F. de Isidro, D. Herreros, P.L. Kastritis, R. Marabini, B.D. Bruce, J.M. Caraz
Pubblicato in: Journal of Structural Biology, Numero 213/1, 2021, Pagina/e 107695, ISSN 1047-8477
Editore: Academic Press
DOI: 10.1016/j.jsb.2020.107695

Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors

Autori: Osipov EM, Munawar AH, Beelen S, Fearon D, Douangamath A, Wild C, Weeks SD, Van Aerschot A, Von Delft F, Strelkov SV.
Pubblicato in: RSC Chemical Biology, 2022, ISSN 2633-0679
Editore: Royal Society of Chemistry
DOI: 10.1039/d2cb00052k

Site-Selective Functionalized PD-1 Mutant for a Modular Immunological Activity against Cancer Cells

Autori: Fallarini S, Cerofolini L, Salobehaj M, Rizzo D, Gheorghita GR, Licciardi G, Capialbi DE, Zullo V, Sodini A, Nativi C, Fragai M.
Pubblicato in: Biomacromolecules, 2023, ISSN 1526-4602
Editore: American Chemical Society
DOI: 10.1021/acs.biomac.3c00893

Whole-proteome structures shed new light on posttranslational modifications

Autori: Robbie P. Joosten, Jon Agirre
Pubblicato in: PLoS Biol, 2022, ISSN 1545-7885
Editore: Public Library of Science
DOI: 10.1371/journal.pbio.3001673

Amyloid-like DNA bridging: a new mode of DNA shaping

Autori: Frank Wien, Marcos Gragera, Tatsuhito Matsuo, Gautier Moroy, María Teresa Bueno-Carrasco, Rocío Arranz, Antoine Cossa, Anne Martel, Heloisa N Bordallo, Svemir Rudić, Marisela Velez, Johan R C van der Maarel, Judith Peters, Véronique Arluison
Pubblicato in: Nucleic Acids Research, Numero 53, 2025, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkaf169

UBAP2L ensures homeostasis of nuclear pore complexes at the intact nuclear envelope

Autori: Liao Y, Andronov L, Liu X, Lin J, Guerber L, Lu L, Agote-Arán A, Pangou E, Ran L, Kleiss C, Qu M, Schmucker S, Cirillo L, Zhang Z, Riveline D, Gotta M, Klaholz BP, Sumara I
Pubblicato in: Journal of Cell Biology, 2024, ISSN 1540-8140
Editore: Rockefeller University Press
DOI: 10.1083/jcb.202310006

Monitoring Protein-Ligand Interactions in Human Cells by Real-Time Quantitative In-Cell NMR using a High Cell Density Bioreactor

Autori: Letizia Barbieri, Enrico Luchinat
Pubblicato in: Journal of Visualized Experiments, Numero 169, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62323

High-resolution structure of stem-loop 4 from the 5'-UTR of SARS-CoV-2 solved by solution state NMR

Autori: Vögele J, Hymon D, Martins J, Ferner J, Jonker HRA, Hargrove AE, Weigand JE, Wacker A, Schwalbe H, Wöhnert J, Duchardt-Ferner E.
Pubblicato in: Nucleic Acid Research, 2023, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkad762

ZART: A novel multiresolution reconstruction algorithm with motion-blur correction for single particle analysis

Autori: Herreros D, Kiska J, Ramirez E, Filipovic J, Carazo JM, Sorzano COS.
Pubblicato in: Journal of Molecular Biology, 2023, ISSN 0022-2836
Editore: Academic Press
DOI: 10.1016/j.jmb.2023.168088

A bitopic agonist bound to the dopamine 3 receptor reveals a selectivity site

Autori: Sandra Arroyo-Urea, Antonina L. Nazarova, Ángela Carrión-Antolí, Alessandro Bonifazi, Francisco O. Battiti, Jordy Homing Lam, Amy Hauck Newman, Vsevolod Katritch, Javier García-Nafría
Pubblicato in: Nature Communications, Numero 15, 2024, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-024-51993-4

Comprehensive Fragment Screening of the SARS-CoV-2 Proteome Explores Novel Chemical Space for Drug Development

Autori: Berg H, Wirtz Martin MA, Altincekic N, Alshamleh I, Kaur Bains J, Blechar J, Ceylan B, de Jesus V, Dhamotharan K, Fuks C, Gande SL, Hargittay B, Hohmann KF, Hutchinson MT, Korn SM, Krishnathas R, Kutz F, Linhard V, Matzel T, Meiser N, Niesteruk A, Pyper DJ, Schulte L, Trucks S, Azzaoui K, Blommers MJJ, Gadiya Y, Karki R, Zaliani A, Gribbon P, Almeida MDS, Anobom CD, Bula AL, Buetikofer M, Caruso
Pubblicato in: Angew Chem Int Ed Engl., 2022, ISSN 1433-7851
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202205858

An integrative structural study of the human full-length RAD52 at 2.2 Å resolution

Autori: Beatrice Balboni, Roberto Marotta, Francesco Rinaldi, Giulia Milordini, Giulia Varignani, Stefania Girotto, Andrea Cavalli
Pubblicato in: Communications Biology, Numero 7, 2024, ISSN 2399-3642
Editore: Nature Portfolio
DOI: 10.1038/s42003-024-06644-1

Structural conservation of antibiotic interaction with ribosomes

Autori: Paternoga H, Crowe-McAuliffe C, Bock LV, Koller TO, Morici M, Beckert B, Myasnikov AG, Grubmüller H, Nováček J, Wilson DN.
Pubblicato in: Nature Structural and Molecular Biology, 2023, ISSN 1545-9993
Editore: Nature Publishing Group
DOI: 10.1038/s41594-023-01047-y

Protein delivery to living cells by thermal stimulation for biophysical investigation

Autori: Torricella F, Barbieri L, Bazzurro V, Diaspro A, Banci L.
Pubblicato in: Scientific Reports, Numero 20452322, 2022, ISSN 2045-2322
Editore: Nature Publishing Group
DOI: 10.1038/s41598-022-21103-9

Phage T3 overcomes the BREX defense through SAM cleavage and inhibition of SAM synthesis by SAM lyase

Autori: Andriianov A, Trigüis S, Drobiazko A, Sierro N, Ivanov NV, Selmer M, Severinov K, Isaev A.
Pubblicato in: Cell Reports, 2023, ISSN 2211-1247
Editore: Cell Press
DOI: 10.1016/j.celrep.2023.112972

Solution structure of the voltage-gated Tim23 channel in complex with a mitochondrial presequence peptide

Autori: Shu Zhou, Maosen Ruan, Yunyan Li, Jing Yang, Suwen Bai, Christian Richter, Harald Schwalbe, Can Xie, Bing Shen & Junfeng Wang
Pubblicato in: Cell Research, 2020, ISSN 1001-0602
Editore: Kexue Chubaneshe/Science Press
DOI: 10.1038/s41422-020-00452-y

Characterization of a glycoside hydrolase endolysin from Acinetobacter baumannii phage AbTZA1 with high antibacterial potency and novel structural features

Autori: Premetis GE, Stathi A, Papageorgiou AC, Labrou NE.
Pubblicato in: FEBS Journal, 2022, ISSN 1742-464X
Editore: Blackwell Publishing Inc.
DOI: 10.1111/febs.16686

On bias, variance, overfitting, gold standard and consensus in single-particle analysis by cryo-electron microscopy

Autori: Sorzano COS, Jiménez-Moreno A, Maluenda D, Martínez M, Ramírez-Aportela E, Krieger J, Melero R, Cuervo A, Conesa J, Filipovic J, Conesa P, Del Caño L, Fonseca YC, Jiménez-de la Morena J, Losana P, Sánchez-García R, Strelak D, Fernández-Giménez E, de Isidro-Gómez FP, Herreros D, Vilas JL, Marabini R, Carazo JM.
Pubblicato in: Acta Crystallogr D Struct Biol, 2022, ISSN 2059-7983
Editore: John Wiley and Sons Inc.
DOI: 10.1107/s2059798322001978

New restraints and validation approaches for nucleic acid structures in PDB-REDO

Autori: Ida de Vries, Tim Kwakman, Xiang-Jun Lu, Maarten L. Hekkelman, Mandar Deshpande, Sameer Velankar, Anastassis Perrakis, Robbie P. Joosten
Pubblicato in: Acta Crystallographica Section D Structural Biology, Numero 77/9, 2021, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798321007610

Structural heterogeneity and dynamics in the apical stem loop of s2m from SARS-CoV-2 Delta by an integrative NMR spectroscopy and MD simulation approach

Autori: Maria A Wirtz Martin, Joseph A Makowski, Tobias Matzel, Adam H Kensinger, Alexander Herr, Christian Richter, Hendrik R A Jonker, Anna Wacker, Jeffrey D Evanseck, Harald Schwalbe
Pubblicato in: Nucleic Acids Research, Numero 53, 2025, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkaf552

Integrated NMR/Molecular Dynamics Determination of the Ensemble Conformation of a Thermodynamically Stable CUUG RNA Tetraloop

Autori: Oxenfarth A, Kümmerer F, Bottaro S, Schnieders R, Pinter G, Jonker HRA, Fürtig B, Richter C, Blackledge M, Lindorff-Larsen K, Schwalbe H
Pubblicato in: Journal of the American Chemical Society, 2023, ISSN 0002-7863
Editore: American Chemical Society
DOI: 10.1021/jacs.3c03578

Studies of proline conformational dynamics in IDPs by 13C-detected cross-correlated NMR relaxation

Autori: Marco Schiavina, Ruth Konrat, Irene Ceccolini, Borja Mateos, Robert Konrat, Isabella C. Felli, Roberta Pierattelli
Pubblicato in: Journal of Magnetic Resonance, Numero 354, 2023, Pagina/e 107539, ISSN 1090-7807
Editore: Academic Press
DOI: 10.1016/j.jmr.2023.107539

A Sample Preparation Pipeline for Microcrystals at the VMXm Beamline

Autori: Adam D. Crawshaw, Emma V. Beale, Anna J. Warren, Andrew Stallwood, Graham Duller, Jose Trincao, Gwyndaf Evans
Pubblicato in: Journal of Visualized Experiments, Numero 172, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62306

The Intriguing mitoNEET: Functional and Spectroscopic Properties of a Unique [2Fe-2S] Cluster Coordination Geometry

Autori: Camponeschi F, Piccioli M, Banci L.
Pubblicato in: Molecules, 2022, ISSN 1420-3049
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27238218

A morpheein equilibrium regulates catalysis in phosphoserine phosphatase SerB2 from Mycobacterium tuberculosis

Autori: Pierson E, De Pol F, Fillet M, Wouters J.
Pubblicato in: Commun Biol., 2023, ISSN 2399-3642
Editore: Springer Nature
DOI: 10.1038/s42003-023-05402-z

Subcellular targets and recognition mechanism of Ralstonia solanacearum effector RipE1

Autori: Tsakiri D, Kotsaridis K, Michalopoulou VA, Zhang N, Marinos S, Kountourakis N, Kokkinidis M, Martin GB, Sarris PF.
Pubblicato in: ISCIENCE, 2025, ISSN 2589-0042
Editore: Cell Press Elsevier Inc.
DOI: 10.1016/j.isci.2025.112307

Determinants of receptor tyrosine phosphatase homophilic adhesion: structural comparison of PTPRK and PTPRM extracellular domains

Autori: Hay IM, Shamin M, Caroe ER, Mohammed ASA, Svergun DI, Jeffries CM, Graham SC, Sharpe HJ, Deane JE.
Pubblicato in: Journal of Biological Chemistry, 2022, ISSN 0021-9258
Editore: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102750

Toward protein NMR at physiological concentrations by hyperpolarized water — Finding and mapping uncharted conformational spaces

Autori: Epasto LM, Che K, Kozak F, Selimovic A, Kadeřávek P, Kurzbach D.
Pubblicato in: Science Advances, 2022, ISSN 2375-2548
Editore: American Association for the Advancement of Science
DOI: 10.1126/sciadv.abq5179

Structural basis for different membrane-binding properties of E. coli anaerobic and human mitochondrial β-oxidation trifunctional enzymes

Autori: Sah-Teli SK, Pinkas M, Hynönen MJ, Butcher SJ, Wierenga RK, Novacek J, Venkatesan R.
Pubblicato in: Structure, 2023, ISSN 0969-2126
Editore: Cell Press
DOI: 10.1016/j.str.2023.04.011

Fixed Target Serial Data Collection at Diamond Light Source

Autori: Sam Horrell, Danny Axford, Nicholas E. Devenish, Ali Ebrahim, Michael A. Hough, Darren A. Sherrell, Selina L. S. Storm, Ivo Tews, Jonathan A. R. Worrall, Robin L. Owen
Pubblicato in: Journal of Visualized Experiments, Numero 168, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62200

Identification of potential aggregation hotspots on Aβ42 fibrils blocked by the anti-amyloid chaperone-like BRICHOS domain

Autori: Kumar R, Le Marchand T, Adam L, Bobrovs R, Chen G, Fridmanis J, Kronqvist N, Biverstål H, Jaudzems K, Johansson J, Pintacuda G, Abelein A.
Pubblicato in: Nature Communications, 2024, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-024-45192-4

Structural plasticity of NFU1 upon interaction with binding partners: insights into the mitochondrial [4Fe-4S] cluster pathway

Autori: Da Vela S, Saudino G, Lucarelli F, Banci L, Svergun DI, Ciofi-Baffoni S.
Pubblicato in: J Mol Biol, 2023, ISSN 0022-2836
Editore: Academic Press
DOI: 10.1016/j.jmb.2023.168154

Evaluation of the Higher Order Structure of Biotherapeutics Embedded in Hydrogels for Bioprinting and Drug Release

Autori: Domenico Rizzo, Linda Cerofolini, Anna Pérez-Ràfols, Stefano Giuntini, Fabio Baroni, Enrico Ravera, Claudio Luchinat, Marco Fragai
Pubblicato in: Analytical Chemistry, 2021, ISSN 0003-2700
Editore: American Chemical Society
DOI: 10.1021/acs.analchem.1c01850

Chaperoning of the histone octamer by the acidic domain of DNA repair factor APLF

Autori: Corbeski I, Guo X, Eckhardt BV, Fasci D, Wiegant W, Graewert MA, Vreeken K, Wienk H, Svergun DI, Heck AJR, van Attikum H, Boelens R, Sixma TK, Mattiroli F, van Ingen H
Pubblicato in: Science Advances, 2022, ISSN 2375-2548
Editore: American Association for the Advancement of Science
DOI: 10.1126/sciadv.abo0517

High-Resolution Studies of Proteins in Natural Membranes by Solid-State NMR

Autori: David Beriashvili, Raymond D. Schellevis, Federico Napoli, Markus Weingarth, Marc Baldus
Pubblicato in: Journal of Visualized Experiments, Numero 169, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62197

Experiences From Developing Software for Large X-Ray Crystallography-Driven Protein-Ligand Studies.

Autori: Pearce NM, Skyner R, Krojer T.
Pubblicato in: Front. Mol. Biosci., Numero Section Structural BIology, 2022, ISSN 2296-889X
Editore: Lausanne
DOI: 10.3389/fmolb.2022.861491

CryoEM structure and small-angle X-ray scattering analyses of porcine retinol-binding protein 3

Autori: Vineeta Kaushik, Luca Gessa, Nelam Kumar, Matyáš Pinkas, Mariusz Czarnocki-Cieciura, Krzysztof Palczewski, Jiří Nováček, Humberto Fernandes
Pubblicato in: Open Biology, Numero 15, 2025, ISSN 2046-2441
Editore: Royal Society Publishing
DOI: 10.1098/rsob.240180

In-cell NMR: Why and how?

Autori: Theillet FX, Luchinat E.
Pubblicato in: Progress in Nuclear Magnetic Resonance Spectroscopy, 2022, ISSN 0079-6565
Editore: Elsevier BV
DOI: 10.1016/j.pnmrs.2022.04.002

1H, 13C, and 15N backbone chemical-shift assignments of SARS-CoV-2 non-structural protein 1 (leader protein)

Autori: Ying Wang, John Kirkpatrick, Susanne zur Lage, Sophie M. Korn, Konstantin Neißner, Harald Schwalbe, Andreas Schlundt, Teresa Carlomagno
Pubblicato in: Biomolecular NMR Assignments, 2021, ISSN 1874-2718
Editore: Springer Verlag
DOI: 10.1007/s12104-021-10019-6

Intrinsically disordered plant protein PARCL co-localizes with RNA in phase-separated condensates whose formation can be regulated by mutating the PLD

Autori: Ostendorp A, Ostendorp S, Zhou Y, Chaudron Z, Wolffram L, Rombi K, von Pein L, Falke S, Jeffries CM, Svergun DI, Betzel C, Morris RJ, Kragler F, Kehr J
Pubblicato in: Journal of Biological Chemistry, Numero 00219258, 2022, ISSN 0021-9258
Editore: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102631

Dissociation of β2m from MHC class I triggers formation of noncovalent transient heavy chain dimers

Autori: Cindy Dirscherl, Sara Löchte, Zeynep Hein, Janine-Denise Kopicki, Antonia Regina Harders, Noemi Linden, Andreas Karner, Johannes Preiner, Julian Weghuber, Maria Garcia-Alai, Charlotte Uetrecht, Martin Zacharias, Jacob Piehler, Peter Lanzerstorfer, Sebastian Springer
Pubblicato in: Journal of Cell Science, Numero 135, 2023, ISSN 0021-9533
Editore: The Company of Biologists Ltd.
DOI: 10.1242/jcs.259498

Targeting the Main Protease (Mpro, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies

Autori: Altincekic N, Jores N, Löhr F, Richter C, Ehrhardt C, Blommers MJJ, Berg H, Öztürk S, Gande SL, Linhard V, Orts J, Abi Saad MJ, Bütikofer M, Kaderli J, Karlsson BG, Brath U, Hedenström M, Gröbner G, Sauer UH, Perrakis A, Langer J, Banci L, Cantini F, Fragai M, Grifagni D, Barthel T, Wollenhaupt J, Weiss MS, Robertson A, Bax A, Sreeramulu S, Schwalbe H.
Pubblicato in: ACS Chemical Biology, 2024, ISSN 1554-8929
Editore: American Chemical Society
DOI: 10.1021/acschembio.3c00720

Binding adaptation of GS-441524 diversifies macro domains and downregulate SARS-CoV-2 de-MARylation capacity

Autori: A.C. Tsika, A. Gallo, N.K. Fourkiotis, A.I. Argyriou, S. Sreeramulu, F. Löhr, V.V. Rogov, C. Richter, V. Linhard, S.L. Gande, N. Altincekic, R. Krishnathas, I. Elamri, H. Schwalbe, J. Wollenhaupt, M.S. Weiss, G.A. Spyroulias
Pubblicato in: Journal of Molecular Biology, 2022, ISSN 0022-2836
Editore: Academic Press
DOI: 10.1016/j.jmb.2022.167720

Progression of herpesvirus infection remodels mitochondrial organization and metabolism

Autori: Leclerc S, Gupta A, Ruokolainen V, Chen JH, Kunnas K, Ekman AA, Niskanen H, Belevich I, Vihinen H, Turkki P, Perez-Berna AJ, Kapishnikov S, Mäntylä E, Harkiolaki M, Dufour E, Hytönen V, Pereiro E, McEnroe T, Fahy K, Kaikkonen MU, Jokitalo E, Larabell CA, Weinhardt V, Mattola S, Aho V, Vihinen-Ranta M
Pubblicato in: PLoS Pathog, 2024, ISSN 1553-7374
Editore: Public Library of Science
DOI: 10.1371/journal.ppat.1011829

Phase distortion-free paramagnetic NMR spectra

Autori: Enrico Ravera
Pubblicato in: Journal of Magnetic Resonance Open, Numero 8-9, 2021, Pagina/e 100022, ISSN 2666-4410
Editore: Elsevier Inc
DOI: 10.1016/j.jmro.2021.100022

Disentangling Chromophore States in a Reversibly Switchable Green Fluorescent Protein: Mechanistic Insights from NMR Spectroscopy

Autori: Nina Eleni Christou, Karine Giandoreggio-Barranco, Isabel Ayala, Oleksandr Glushonkov, Virgile Adam, Dominique Bourgeois, Bernhard Brutscher
Pubblicato in: Journal of the American Chemical Society, Numero 143/19, 2021, Pagina/e 7521-7530, ISSN 0002-7863
Editore: American Chemical Society
DOI: 10.1021/jacs.1c02442

Molecular Basis of Multiple Mitochondrial Dysfunctions Syndrome 2 Caused by CYS59TYR BOLA3 Mutation

Autori: Giovanni Saudino, Dafne Suraci, Veronica Nasta, Simone Ciofi-Baffoni, Lucia Banci
Pubblicato in: International Journal of Molecular Sciences, Numero 22/9, 2021, Pagina/e 4848, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms22094848

The folding landscapes of human telomeric RNA and DNA Gquadruplexesare markedly different

Autori: Diana Müller, Irene Bessi, Christian Richter, and Harald Schwalbe
Pubblicato in: Angewandte Chemie (International Edition), 2021, ISSN 1433-7851
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202100280

Cost-Effective Protein Production in CHO Cells Following Polyethylenimine-Mediated Gene Delivery Showcased by the Production and Crystallization of Antibody Fabs

Autori: Meskova K, Martonova K, Hrasnova P, Sinska K, Skrabanova M, Fialova L, Njemoga S, Cehlar O, Parmar O, Kolenko P, Pevala V, Skrabana R.
Pubblicato in: Antibodies, 2023, ISSN 2073-4468
Editore: MDPI
DOI: 10.3390/antib12030051

OUP accepted manuscript

Autori: Tamas Lazar, Elizabeth Martínez-Pérez, Federica Quaglia, András Hatos, Lucía B Chemes, Javier A Iserte, Nicolás A Méndez, Nicolás A Garrone, Tadeo E Saldaño, Julia Marchetti, Ana Julia Velez Rueda, Pau Bernadó, Martin Blackledge, Tiago N Cordeiro, Eric Fagerberg, Julie D Forman-Kay, Maria S Fornasari, Toby J Gibson, Gregory-Neal W Gomes, Claudiu C Gradinaru, Teresa Head-Gordon, Malene Rin
Pubblicato in: Nucleic Acids Research, 2020, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkaa1021

pH variations enable guanine crystal formation within iridosomes

Autori: Zohar Eyal, Rachael Deis, Anna Gorelick-Ashkenazi, Yuval Barzilay, Yonatan Broder, Asher Perry Kellum, Neta Varsano, Michal Hartstein, Andrea Sorrentino, Ron Rotkopf, Ifat Kaplan-Ashiri, Katya Rechav, Rebecca Metzler, Lothar Houben, Leeor Kronik, Peter Rez, Dvir Gur
Pubblicato in: Nature Chemical Biology, 2025, ISSN 1552-4450
Editore: Nature Publishing Group
DOI: 10.1038/s41589-025-02020-0

Intracellular Binding/Unbinding Kinetics of Approved Drugs toCarbonic Anhydrase II Observed by in-Cell NMR

Autori: Enrico Luchinat, Letizia Barbieri, Matteo Cremonini, Alessio Nocentini, Claudiu T. Supuran, and Lucia Banci
Pubblicato in: ACS Chemical Biology, 2020, ISSN 1554-8929
Editore: American Chemical Society
DOI: 10.1021/acschembio.0c00590

Structural studies of β-glucosidase from the thermophilic bacterium Caldicellulosiruptor saccharolyticus

Autori: Anastasia I. Sotiropoulou, Dimitris G. Hatzinikolaou, Evangelia D. Chrysina
Pubblicato in: Acta Crystallographica Section D Structural Biology, Numero 80, 2024, Pagina/e 733-743, ISSN 2059-7983
Editore: IUCr Journals
DOI: 10.1107/s2059798324009252

Controlling the incorporation of fluorinated amino acids in human cells and its structural impact

Autori: Azzurra Costantino, Lan B. T. Pham, Letizia Barbieri, Vito Calderone, Gili Ben‐Nissan, Michal Sharon, Lucia Banci, Enrico Luchinat
Pubblicato in: Protein Science, Numero 33, 2024, ISSN 0961-8368
Editore: Cold Spring Harbor Laboratory Press
DOI: 10.1002/pro.4910

Exploring the druggability of conserved RNA regulatory elements in the SARS‐CoV‐2 genome

Autori: Sridhar Sreeramulu, Christian Richter, Hannes Berg, Maria A Wirtz Martin, Betül Ceylan, Tobias Matzel, Jennifer Adam, Nadide Altincekic, Kamal Azzaoui, Jasleen Kaur Bains, Marcel J.J. Blommers, Jan Ferner, Boris Fürtig, M. Göbel, J Tassilo Grün, Martin Hengesbach, Katharina F. Hohmann, Daniel Hymon, Bozana Knezic, Jason Martins, Klara R Mertinkus, Anna Niesteruk, Stephen A Peter, Dennis J Pype
Pubblicato in: Angewandte Chemie International Edition, 2021, ISSN 1433-7851
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202103693

Structure of the drug target ClpC1 unfoldase in action provides insights on antibiotic mechanism of action

Autori: Weinhäupl K, Gragera M, Bueno-Carrasco MT, Arranz R, Krandor O, Akopian T, Soares R, Rubin E, Felix J, Fraga H
Pubblicato in: Journal of Biological Chemistry, Numero 00219258, 2022, ISSN 0021-9258
Editore: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102553

Cryo-EM density maps adjustment for subtraction, consensus and sharpening

Autori: E. Fernández-Giménez, M. Martínez, R. Sánchez-García, R. Marabini, E. Ramírez-Aportela, P. Conesa, J.M. Carazo, C.O.S. Sorzano
Pubblicato in: Journal of Structural Biology, Numero 213/4, 2021, Pagina/e 107780, ISSN 1047-8477
Editore: Academic Press
DOI: 10.1016/j.jsb.2021.107780

Real-Time Quantitative In-Cell NMR: Ligand Binding and Protein Oxidation Monitored in Human Cells Using Multivariate Curve Resolution

Autori: Enrico Luchinat, Letizia Barbieri, Timothy F. Campbell, Lucia Banci
Pubblicato in: Analytical Chemistry, Numero 92/14, 2020, Pagina/e 9997-10006, ISSN 0003-2700
Editore: American Chemical Society
DOI: 10.1021/acs.analchem.0c01677

The Extended Hadamard Transform: Sensitivity-Enhanced NMR Experiments Among Labile and Non-Labile 1Hs of SARS-CoV-2-derived RNAs

Autori: Kim J, Novakovic M, Jayanthi S, Lupulescu A, Kupče Ē, Grün JT, Mertinkus K, Oxenfarth A, Schwalbe H, Frydman L.
Pubblicato in: ChemPhysChem, 2022, ISSN 1439-4235
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/cphc.202100704

Molecular determinants for recognition of serotonylated chromatin

Autori: Laura Pulido-Cortés, Hajo Gielingh, Vito Thijssen, Minglong Liu, Ryoji Yoshisada, Leonardo Romão Soares, Sheikh Nizamuddin, Florian Friedrich, Holger Greschik, Ling Peng, Rodrigo Vargas Honorato, Manfred Jung, Alexandre M J J Bonvin, Martin L Biniossek, Roland Schüle, Seino Jongkees, Hugo van Ingen, H Th Marc Timmers
Pubblicato in: Nucleic Acids Research, Numero 53, 2025, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkaf612

Molecular mechanisms and evolutionary robustness of a color switch in proteorhodopsins

Autori: Mao J, Jin X, Shi M, Heidenreich D, Brown LJ, Brown RCD, Lelli M, He X, Glaubitz C.
Pubblicato in: Science Advances, 2024, ISSN 2375-2548
Editore: AAAS
DOI: 10.1126/sciadv.adj0384

A thermosensitive gel matrix for bioreactor-assisted in-cell NMR of nucleic acids and proteins

Autori: Dzurov M, Pospíšilová Š, Krafčíková M, Trantírek L, Vojtová L, Ryneš J
Pubblicato in: J Biomol NMR, 2023, ISSN 0925-2738
Editore: Kluwer Academic Publishers
DOI: 10.1007/s10858-023-00422-7

Rapid protein delivery to living cells for biomolecular investigation

Autori: Francesco Torricella, Alessio Bonucci, Panagis Polykretis, Francesca Cencetti, Lucia Banci
Pubblicato in: Biochemical and Biophysical Research Communications, Numero 570, 2021, Pagina/e 82-88, ISSN 0006-291X
Editore: Academic Press
DOI: 10.1016/j.bbrc.2021.07.006

Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC β-Lactamases

Autori: Brunetti F, Ghiglione B, Gudeta DD, Gutkind G, Guardabassi L, Klinke S, Power P.
Pubblicato in: Antimicrobial Agents and Chemotherapy, 2024, ISSN 1098-6596
Editore: ASM Journals
DOI: 10.1128/aac.00061-23

Modulation of the substrate specificity of the kinase PDK1 by distinct conformations of the full-length protein

Autori: Sacerdoti M, Gross LZF, Riley AM, Zehnder K, Ghode A, Klinke S, Anand GS, Paris K, Winkel A, Herbrand AK, Godage HY, Cozier GE, Süß E, Schulze JO, Pastor-Flores D, Bollini M, Cappellari MV, Svergun D, Gräwert MA, Aramendia PF, Leroux AE, Potter BVL, Camacho CJ, Biondi RM.
Pubblicato in: Science Signaling, 2023, ISSN 1937-9145
Editore: American Association for the Advancement of Science
DOI: 10.1126/scisignal.add3184

Cyanobacterial Argonautes and Cas4 family nucleases cooperate to interfere with invading DNA

Autori: Pilar Bobadilla Ugarte, Stefanie Halter, Sumanth K. Mutte, Clint Heijstek, Theophile Niault, Ilya Terenin, Patrick Barendse, Balwina Koopal, Mark Roosjen, Sjef Boeren, Vasili Hauryliuk, Martin Jinek, Adrie H. Westphal, Daan C. Swarts
Pubblicato in: Molecular Cell, 2025, ISSN 1097-2765
Editore: Cell Press
DOI: 10.1016/j.molcel.2025.03.025

Ultrastructure of macromolecular assemblies contributing to bacterial spore resistance revealed by in situ cryo-electron tomography

Autori: Bauda E, Gallet B, Moravcova J, Effantin G, Chan H, Novacek J, Jouneau PH, Rodrigues CDA, Schoehn G, Moriscot C, Morlot C
Pubblicato in: Nature Communications, 2024, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-024-45770-6

Crystal structure of the Phospholipase A and acyltransferase 4 (PLAAT4) catalytic domain

Autori: Wehlin A, Cornaciu I, Marquez JM, Perrakis A, von Castelmur E.
Pubblicato in: Journal of Structural Biology, Numero 10478477, 2022, ISSN 1047-8477
Editore: Academic Press
DOI: 10.1016/j.jsb.2022.107903

Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking

Autori: A. Metz, J. Wollenhaupt, S. Glöckner, N. Messini, S. Huber, T. Barthel, A. Mehrabed, H.-D. Gerber, A. Heine, G. Klebe and M. S. Weiss
Pubblicato in: Acta Crystallographica Section D Structural Biology, Numero 77/8, 2021, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798321008196

Blood pH Analysis in Combination with Molecular Medical Tools in Relation to COVID-19 Symptoms

Autori: Siebert H-C, Eckert T, Bhunia A, Klatte N, Mohri M, Siebert S, Kozarova A, Hudson JW, Zhang R, Zhang N, Li L, Gousias K, Kanakis D, Yan M, Jiménez-Barbero J, Kožár T, Nifantiev NE, Vollmer C, Brandenburger T, Kindgen-Milles D, Haak T, Petridis AK.
Pubblicato in: Biomedicines, 2023, ISSN 2227-9059
Editore: MDPI
DOI: 10.3390/biomedicines11051421

Structure-function studies of a novel laccase-like multicopper oxidase from Thermothelomyces thermophila provide insights into its biological role

Autori: Kosinas C, Zerva A, Topakas E, Dimarogona M.
Pubblicato in: Acta Crystallogr D Struct Biol, 2023, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798323004175

A modular platform for automated cryo-FIB workflows

Autori: Klumpe S, Fung HKH, Goetz SK, Zagoriy I, Hampoelz B, Zhang X, Erdmann PS, Baumbach J, Müller CW, Beck M, Plitzko JM, Mahamid J
Pubblicato in: Elife, 2021, ISSN 2050-084X
Editore: eLife Sciences Publications
DOI: 10.7554/elife.70506

Single Particle Cryo-Electron Microscopy: From Sample to Structure

Autori: Joshua B.R. White, Daniel P. Maskell, Andrew Howe, Martin Harrow, Daniel K. Clare, C. Alistair Siebert, Emma L. Hesketh, Rebecca F. Thompson
Pubblicato in: Journal of Visualized Experiments, Numero 171, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62415

Determination of intracellular protein–ligand binding affinity by competition binding in-cell NMR

Autori: Enrico Luchinat, Letizia Barbieri, Matteo Cremonini, Matteo Pennestri, Alessio Nocentini, Claudiu T. Supuran, Lucia Banci
Pubblicato in: Acta Crystallographica Section D Structural Biology, Numero 77/10, 2021, Pagina/e 1270-1281, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798321009037

Updated restraint dictionaries for carbohydrates in the pyranose form

Autori: Atanasova M, Nicholls RA, Joosten RP, Agirre J.
Pubblicato in: Acta Crystallogr D Struct Biol, 2022, ISSN 2059-7983
Editore: IUCr/Wiley
DOI: 10.1107/s2059798322001103

Structural and functional features of a broad-spectrum prophage-encoded enzybiotic from Enterococcus faecium

Autori: Premetis GE, Stathi A, Papageorgiou AC, Labrou NE.
Pubblicato in: Scientific Reports, 2023, ISSN 2045-2322
Editore: Nature Publishing Group
DOI: 10.1038/s41598-023-34309-2

Bio-SAXS of single-stranded DNA-binding proteins: radiation protection by the compatible solute ectoine

Autori: Hallier DC, Smales GJ, Seitz H, Hahn MB.
Pubblicato in: Phys Chem Chem Phys, 2023, ISSN 1463-9076
Editore: Royal Society of Chemistry
DOI: 10.1039/d2cp05053f

Image processing tools for the validation of CryoEM maps

Autori: C.O.S. Sorzano, J.L. Vilas, E. Ramírez-Aportela, J. Krieger, D. del Hoyo, D. Herreros, E. Fernandez-Giménez, D. Marchán, J.R. Macías, I. Sánchez, L. del Caño, Y. Fonseca- Reyna, P. Conesa, A. García-Mena, J. Burguet, J. García Condado, J. Méndez García, M. Martínez, A. Muñoz-Barrutia, R. Marabini, J. Vargas, J.M. Carazo
Pubblicato in: Faraday Discussions, 2022, ISSN 1364-5498
Editore: Royal Society of Chemistry
DOI: 10.1039/d2fd00059h

The Coming of Age of In-Cell Solution NMR

Autori: Luchinat E, Cremonini M, Banci L
Pubblicato in: Chemical Reviews, 2022, ISSN 0009-2665
Editore: American Chemical Society
DOI: 10.1021/acs.chemrev.1c00790

Staphylococcus aureus sacculus mediates activities of M23 hydrolases

Autori: Razew A, Laguri C, Vallet A, Bougault C, Kaus-Drobek M, Sabala I, Simorre JP.
Pubblicato in: Nature Communications, 2023, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-023-42506-w

Common transthyretin-derived amyloid fibril structures in patients with hereditary ATTR amyloidosis

Autori: Steinebrei M, Baur J, Pradhan A, Kupfer N, Wiese S, Hegenbart U, Schönland SO, Schmidt M, Fändrich M.
Pubblicato in: Nature Communications, 2023, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-023-43301-3

Facilitated crystal handling using a simple device for evaporation reduction in microtiter plates

Autori: Tatjana Barthel, Franziska U. Huschmann, Dirk Wallacher, Christian G. Feiler, Gerhard Klebe, Manfred S. Weiss, Jan Wollenhaupt
Pubblicato in: Journal of Applied Crystallography, Numero 54/1, 2021, Pagina/e 376-382, ISSN 1600-5767
Editore: IUCr
DOI: 10.1107/s1600576720016477

FragMAX Facility for Crystallographic Fragment and Ligand Screening at MAX IV

Autori: Sandesh Kanchugal P., Elmir Jagudin, Gustavo M. A. Lima, Vladimir O. Talibov, Afshan Begum, Jie Nan, Mikel Eguiraun, Ana Gonzalez, Céleste Sele, Maria Nyblom, Wolfgang Knecht, Derek T. Logan, Tove Sjögren, Marjolein Thunnissen, Thomas Ursby, Marc Obiols‐Rabasa, Magnus Larsson, Uwe Mueller, Tobias Krojer
Pubblicato in: Applied Research, Numero 4, 2025, ISSN 2702-4288
Editore: Wiley
DOI: 10.1002/appl.202400263

Protocol for image registration of correlative soft X-ray tomography and super-resolution structured illumination microscopy images

Autori: Nina Vyas, Stephan Kunne, Thomas M. Fish, Ian M. Dobbie, Maria Harkiolaki, Perrine Paul-Gilloteaux
Pubblicato in: STAR Protocols, Numero 2/2, 2021, Pagina/e 100529, ISSN 2666-1667
Editore: Cell Press
DOI: 10.1016/j.xpro.2021.100529

Cryo-EM and Single-Particle Analysis with Scipion

Autori: A. Jiménez-Moreno, L. del Caño, M. Martínez, E. Ramírez-Aportela, A. Cuervo, R. Melero, R. Sánchez-García, D. Strelak, E. Fernández-Giménez, F.P. de Isidro-Gómez, D. Herreros, P. Conesa, Y. Fonseca, D. Maluenda, J. Jiménez de la Morena, J.R. Macías, P. Losana, R. Marabini, J.M. Carazo, C.O.S. Sorzano
Pubblicato in: Journal of Visualized Experiments, Numero 171, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62261

Advances in Xmipp for Cryo–Electron Microscopy: From Xmipp to Scipion

Autori: Strelak D, Jiménez-Moreno A, Vilas JL, Ramírez-Aportela E, Sánchez-García R, Maluenda D, Vargas J, Herreros D, Fernández-Giménez E, de Isidro-Gómez FP, Horacek J, Myska D, Horacek M, Conesa P, Fonseca-Reyna YC, Jiménez J, Martínez M, Harastani M, Jonić S, Filipovic J, Marabini R, Carazo JM, Sorzano COS
Pubblicato in: Molecules, 2021, ISSN 1420-3049
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules26206224

Guanine crystal formation by the unicellular organism Phacotus lenticularis is part of a cellular stress response

Autori: Noy Shaked, Andrea Sorrentino, Neta Varsano, Sefi Addadi, Ziv Porat, Iddo Pinkas, Steve Weiner, Lia Addadi
Pubblicato in: PLOS ONE, Numero 20, 2025, Pagina/e e0316193, ISSN 1932-6203
Editore: Public Library of Science
DOI: 10.1371/journal.pone.0316193

Structural basis of poxvirus fusion regulation and anti-A16/G9 antibody-mediated neutralization and protection

Autori: Annalisa Meola, Riccardo Vernuccio, Leandro Battini, Guillermo Albericio, Pilar Delgado, Rebecca Bamford, Laura Pokorny, Manon Broutin, Alejandro Martínez León, Sébastien Gallien, María Gil, María A. Noriega, Florence Guivel-Benhassine, Françoise Porrot, Jeanne Postal, Julian Buchrieser, Mathieu Hubert, Ahmed Haouz, Pierre Lafaye, Mariano Esteban, Jochen S. Hub, Matthieu Mahévas, Pascal Cha
Pubblicato in: Cell, 2025, ISSN 0092-8674
Editore: Cell Press
DOI: 10.1016/j.cell.2025.07.040

Oxidation of the Mycobacterium tuberculosis key virulence factor Protein Tyrosine Phosphatase A (MptpA) reduces its phosphatase activity

Autori: Niesteruk A,Sreeramulu S, Jonker HRA, Richter C, Schwalbe H.
Pubblicato in: FEBS letters, 2022, ISSN 1873-3468
Editore: Wiley
DOI: 10.1002/1873-3468.14348

Protein structure and interactions elucidated with in-cell NMR for different cell cycle phases and in 3D human tissue models

Autori: Jan Rynes, Eva Istvankova, Michaela Dzurov Krafcikova, Enrico Luchinat, Letizia Barbieri, Lucia Banci, Kristyna Kamarytova, Tomas Loja, Bohumil Fafilek, Gustavo Rico-Llanos, Pavel Krejci, Libor Macurek, Silvie Foldynova-Trantirkova, Lukas Trantirek
Pubblicato in: Communications Biology, Numero 8, 2025, ISSN 2399-3642
Editore: Springer Nature
DOI: 10.1038/s42003-025-07607-w

Real-time NMR spectroscopy in the study of biomolecular kineticsand dynamics

Autori: György Pintér, Katharina F. Hohmann, J. Tassilo Grün, Julia Wirmer-Bartoschek, Clemens Glaubitz, Boris Fürtig, Harald Schwalbe
Pubblicato in: Magnetic Resonance Discussions, 2021, ISSN 2699-0059
Editore: Copernicus Publications
DOI: 10.5194/mr-2021-16

Identification and Characterization of an RRM‐Containing, RNA Binding Protein in Acinetobacter baumannii

Autori: Ciani C, Pérez‐Ràfols A, Bonomo I, Micaelli M, Esposito A, Zucal C, Belli R, D’Agostino VG, Bianconi I, Calderone V, Cerofolini L, Massidda O, Whalen MB, Fragai M, Provenzani A.
Pubblicato in: Biomolecules, 2022, ISSN 2218-273X
Editore: MDPI
DOI: 10.3390/biom12070922

Towards Consistency in Geometry Restraints for Carbohydrates in the Pyranose form: Modern Dictionary Generators Reviewed

Autori: Joosten RP, Nicholls RA, Agirre J.
Pubblicato in: Curr Med Chem., 2022, ISSN 1875-533X
Editore: Bentham Science Publishers
DOI: 10.2174/0929867328666210902140754

Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases

Autori: Balandis B, Šimkūnas T, Paketurytė-Latvė V, Michailovienė V, Mickevičiūtė A, Manakova E, Gražuli S, Belyakov S, Kairys V, Mickevičius V, Zubrienė A, Matulis D.
Pubblicato in: Pharmaceuticals, 2022, ISSN 1424-8247
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ph15040477

FragMAXapp : crystallographic fragment-screening data-analysis and project-management system

Autori: Gustavo M. A. Lima, Elmir Jagudin, Vladimir O. Talibov, Laila S. Benz, Costantino Marullo, Tatjana Barthel, Jan Wollenhaupt, Manfred S. Weiss, Uwe Mueller
Pubblicato in: Acta Crystallographica Section D Structural Biology, Numero 77/6, 2021, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798321003818

Optimization of the Lead Compound NVP-BHG712 as Colorectal Cancer Inhibitor

Autori: Tröster A, DiPrima M, Jores N, Kudlinzki D, Sreeramulu S, Gande SL, Linhard V, Ludig D, Schug A, Saxena K, Reinecke M, Heinzlmeir S, Leisegang MS, Wollenhaupt J, Lennartz F, Weiss MS, Kuster B, Tosato G, Schwalbe H.
Pubblicato in: Chemistry, 2023, ISSN 0947-6539
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/chem.202203967

Integrated NMR and MD structure and dynamics of the stem loop II motif (s2m) from the Omicron variant of SARS-CoV-2

Autori: Tobias Matzel, Joseph Makowski, Adam H. Kensinger, Andreas Oxenfarth, Maria A. Wirtz Martin, Jeffrey Evanseck, Harald Schwalbe
Pubblicato in: RNA, 2025, Pagina/e rna.080576.125, ISSN 1355-8382
Editore: Cold Spring Harbor Laboratory Press
DOI: 10.1261/rna.080576.125

The missing link: covalent linkages in structural models

Autori: Robert A. Nicholls, Marcin Wojdyr, Robbie P. Joosten, Lucrezia Catapano, Fei Long, Marcus Fischer, Paul Emsley, Garib N. Murshudov
Pubblicato in: Acta Crystallographica Section D Structural Biology, Numero 77/6, 2021, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798321003934

A high-field cellular DNP-supported solid-state NMR approach to study proteins with sub-cellular specificity

Autori: Beriashvili D, Yao R, D'Amico F, Krafčíková M, Gurinov A, Safeer A, Cai X, Mulder MPC, Liu Y, Folkers GE, Baldus M
Pubblicato in: Chemical Science, 2023, ISSN 2041-6520
Editore: Royal Society of Chemistry
DOI: 10.1039/d3sc02117c

Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan

Autori: Christina Pentari, Christos Kosinas, Efstratios Nikolaivits, Maria Dimarogona, Evangelos Topakas
Pubblicato in: Biotechnology and Bioengineering, Numero 121, 2024, Pagina/e 2067-2078, ISSN 0006-3592
Editore: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/bit.28731

Structural Heterogeneity in a Phototransformable Fluorescent Protein Impacts its Photochemical Properties

Autori: Maity A, Wulffelé J, Ayala I, Favier A, Adam V, Bourgeois D, Brutscher B
Pubblicato in: Advanced Science, 2023, ISSN 2198-3844
Editore: WIley
DOI: 10.1002/advs.202306272

Small molecule MMRi62 targets MDM4 for degradation and induces leukemic cell apoptosis regardless of p53 status

Autori: Lama R, Xu C, Galster SL, Querol-García J, Portwood S, Mavis CK, Ruiz FM, Martin D, Wu J, Giorgi MC, Bargonetti J, Wang ES, Hernandez-Ilizaliturri FJ, Koudelka GB, Chemler SR, Muñoz IG, Wang X
Pubblicato in: Frontiers in Oncology, 2022, ISSN 2234-943X
Editore: Frontiers Media S. A.
DOI: 10.3389/fonc.2022.933446

Program VUE: analysing distributions of cryo-EM projections using uniform spherical grids

Autori: Urzhumtseva L, Barchet C, Klaholz BP, Urzhumtsev AG.
Pubblicato in: Journal of Applied Crystallography, 2024, ISSN 1600-5767
Editore: IUCr
DOI: 10.1107/s1600576724002383

High-resolution cryo-EM performance comparison of two latest-generation cryo electron microscopes on the human ribosome

Autori: Fréchin L, Holvec S, von Loeffelholz O, Hazemann I, Klaholz BP
Pubblicato in: Journal of Structural BIology, 2022, ISSN 1047-8477
Editore: Academic Press
DOI: 10.1016/j.jsb.2022.107905

Ligand binding to a Ni–Fe cluster orchestrates conformational changes of the CO-dehydrogenase–acetyl-CoA synthase complex

Autori: Jakob Ruickoldt, Julian Kreibich, Thomas Bick, Jae-Hun Jeoung, Benjamin R. Duffus, Silke Leimkühler, Holger Dobbek, Petra Wendler
Pubblicato in: Nature Catalysis, 2025, ISSN 2520-1158
Editore: Springer Science and Business Media LLC
DOI: 10.1038/s41929-025-01365-y

Polθ is phosphorylated by PLK1 to repair double-strand breaks in mitosis

Autori: Gelot C, Kovacs MT, Miron S, Mylne E, Haan A, Boeffard-Dosierre L, Ghouil R, Popova T, Dingli F, Loew D, Guirouilh-Barbat J, Del Nery E, Zinn-Justin S, Ceccaldi R.
Pubblicato in: Nature, 2023, ISSN 0028-0836
Editore: Nature Publishing Group
DOI: 10.1038/s41586-023-06506-6

A Fijivirus Major Viroplasm Protein Shows RNA-Stimulated ATPase Activity by Adopting Pentameric and Hexameric Assemblies of Dimers

Autori: Gabriela Llauger, Roberto Melero, Demián Monti, Gabriela Sycz, Cristián Huck-Iriart, María L. Cerutti, Sebastián Klinke, Evelyn Mikkelsen, Ariel Tijman, Rocío Arranz, Victoria Alfonso, Sofía M. Arellano, Fernando A. Goldbaum, Yann G. J. Sterckx, José-María Carazo, Sergio B. Kaufman, Pablo D. Dans, Mariana del Vas, Lisandro H. Otero
Pubblicato in: mBio, Numero 14, 2024, ISSN 2150-7511
Editore: American Society for Microbiology
DOI: 10.1128/mbio.00023-23

Di-phosphorylated BAF shows altered structural dynamics and binding to DNA, but interacts with its nuclear envelope partners

Autori: Agathe Marcelot, Ambre Petitalot, Virginie Ropars, Marie-Hélène Le Du, Camille Samson, Stevens Dubois, Guillaume Hoffmann, Simona Miron, Philippe Cuniasse, Jose Antonio Marquez, Robert Thai, François-Xavier Theillet, Sophie Zinn-Justin
Pubblicato in: Nucleic Acids Research, 2021, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkab184

The complex structure of Fomes fomentarius represents an architectural design for high-performance ultralightweight materials

Autori: Pylkkänen R, Werner D, Bishoyi A, Weil D, Scoppola E, Wagermaier W, Safeer A, Bahri S, Baldus M, Paananen A, Penttilä M, Szilvay GR, Mohammadi P.
Pubblicato in: Science Advances, 2023, ISSN 2375-2548
Editore: American Association for the Advancement of Science
DOI: 10.1126/sciadv.ade5417

Introducing NMR strategies to define water molecules that drive metal binding in a transcriptional regulator

Autori: Villarruel Dujovne M, Bringas M, Felli IC, Ravera E, Di Lella S, Capdevila DA
Pubblicato in: Journal of Magnetic Resonance Open, 2023, ISSN 2666-4410
Editore: ScienceDirect/Elsevier
DOI: 10.1016/j.jmro.2023.100114

Evasion of cGAS and TRIM5 defines pandemic HIV

Autori: Zuliani-Alvarez L, Govasli ML, Rasaiyaah J, Monit C, Perry SO, Sumner RP, McAlpine-Scott S, Dickson C, Rifat Faysal KM, Hilditch L, Miles RJ, Bibollet-Ruche F, Hahn BH, Boecking T, Pinotsis N, James LC, Jacques DA, Towers GJ.
Pubblicato in: nature microbiology, Numero 20585276, 2022, ISSN 2058-5276
Editore: Nature Portfolio
DOI: 10.1038/s41564-022-01247-0

SARS-CoV-2 M pro inhibition by a zinc ion: structural features and hints for drug design

Autori: Deborah Grifagni, Vito Calderone, Stefano Giuntini, Francesca Cantini, Marco Fragai, Lucia Banci
Pubblicato in: Chemical Communications, Numero 57/64, 2021, Pagina/e 7910-7913, ISSN 1359-7345
Editore: Royal Society of Chemistry
DOI: 10.1039/d1cc02956h

Dynamic interactions and Ca2+-binding modulate the holdase-type chaperone activity of S100B preventing tau aggregation and seeding

Autori: Guilherme G. Moreira, François-Xavier Cantrelle, Andrea Quezada, Filipa S. Carvalho, Joana S. Cristóvão, Urmi Sengupta, Nicha Puangmalai, Ana P. Carapeto, Mário S. Rodrigues, Isabel Cardoso, Güenter Fritz, Federico Herrera, Rakez Kayed, Isabelle Landrieu, Cláudio M. Gomes
Pubblicato in: Nature Communications, Numero 12/1, 2021, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-021-26584-2

Kinetic and Structural Studies of the Plastidial Solanum tuberosum Phosphorylase

Autori: Symeon M. Koulas, Efthimios Kyriakis, Anastasia S. Tsagkarakou, Demetres D. Leonidas
Pubblicato in: ACS Omega, 2024, ISSN 2470-1343
Editore: ACS Publications
DOI: 10.1021/acsomega.4c06313

Innovative Approach for a Classic Target: Fragment Screening on Trypanothione Reductase Reveals New Opportunities for Drug Design

Autori: Fiorillo A, Colotti G, Exertier C, Liuzzi A, Seghetti F, Salerno A, Caciolla J, Ilari A.
Pubblicato in: Frontiers in molecular biosciences, 2022, ISSN 2296-889X
Editore: Frontiers Media S.A.
DOI: 10.3389/fmolb.2022.900882

Structural Insights into the Role of β3 nAChR Subunit in the Activation of Nicotinic Receptors

Autori: Giastas P, Papakyriakou A, Tsafaras G, Tzartos SJ, Zouridakis M.
Pubblicato in: Molecules, 2022, ISSN 1420-3049
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules27144642

Secondary structure determination of conserved SARS-CoV-2 RNA elements by NMR spectroscopy

Autori: Anna Wacker, Julia E Weigand, Sabine R Akabayov, Nadide Altincekic, Jasleen Kaur Bains, Elnaz Banijamali, Oliver Binas, Jesus Castillo-Martinez, Erhan Cetiner, Betül Ceylan, Liang-Yuan Chiu, Jesse Davila-Calderon, Karthikeyan Dhamotharan, Elke Duchardt-Ferner, Jan Ferner, Lucio Frydman, Boris Fürtig, José Gallego, J Tassilo Grün, Carolin Hacker, Christina Haddad, Martin Hähnke, Martin Hengesb
Pubblicato in: Nucleic Acids Research, Numero 48/22, 2020, Pagina/e 12415-12435, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkaa1013

Principal component analysis is limited to low-resolution analysis in cryoEM

Autori: Carlos Oscar S. Sorzano, Jose Maria Carazo
Pubblicato in: Acta Crystallographica Section D Structural Biology, Numero 77/6, 2021, Pagina/e 835-839, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798321002291

Solid-state NMR - a complementary technique for protein framework characterization

Autori: Cerofolini L, Ramberg KO, Padilla LC, Antonik P, Ravera E, Luchinat C, Fragai M, Crowley PB.
Pubblicato in: Chemical Communications, 2023, ISSN 1364-548X
Editore: Royal Society of Chemistry
DOI: 10.1039/d2cc05725e

Targeting EPHA2 with Kinase Inhibitors in Colorectal Cancer

Autori: Tröster A, Jores N, Mineev KS, Sreeramulu S, DiPrima M, Tosato G, Schwalbe H.
Pubblicato in: ChemMedChem, 2023, ISSN 1860-7179
Editore: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/cmdc.202300420

A 3D Cartographic Description of the Cell by Cryo Soft X-ray Tomography

Autori: Johannes Groen, Andrea Sorrentino, Lucía Aballe, Robert Oliete, Ricardo Valcárcel, Chidinma Okolo, Ilias Kounatidis, Maria Harkiolaki, Ana Joaquina Pérez-Berná, Eva Pereiro
Pubblicato in: Journal of Visualized Experiments, Numero 169, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62190

Small-molecule MMRi36 induces apoptosis in p53-mutant lymphomas by targeting MDM2/MDM4/XIAP for degradation

Autori: Rati Lama, Wenjie Wu, Cory K. Mavis, Federico M. Ruiz, Javier Querol-García, Diana Martin, Sherry R. Chemler, Dhyan Chandra, David W. Goodrich, Francisco J. Hernandez-Ilizaliturri, Inés G. Muñoz, Xinjiang Wang
Pubblicato in: Frontiers in Oncology, Numero 14, 2024, ISSN 2234-943X
Editore: Frontiers Media S. A.
DOI: 10.3389/fonc.2024.1462231

Unraveling the mechanism of [4Fe‐4S] cluster assembly on the N‐terminal cluster binding site of NUBP1

Autori: Beatrice Bargagna, Sara Matteucci, Simone Ciofi‐Baffoni, Francesca Camponeschi, Lucia Banci
Pubblicato in: Protein Science, Numero 32, 2023, ISSN 0961-8368
Editore: Cold Spring Harbor Laboratory Press
DOI: 10.1002/pro.4625

Strategies for Optimization of Cryogenic Electron Tomography Data Acquisition

Autori: Felix Weis, Wim J. H. Hagen, Martin Schorb, Simone Mattei
Pubblicato in: Journal of Visualized Experiments, Numero 169, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62383

EFFECTS of BORON SUPPLEMENTATION on DAIRY CALVES’ HEALTH: A METABOLOMICS STUDY

Autori: Abdullah Basoglu, ADAM ABDEL-AZIZ ADAM, NURI BASPINAR, ALESSIA VIGNOLI, GAIAI MEONI, Leonardo Tenori, Erdem Gullersoy, Rumeyhisa Bicici
Pubblicato in: Assiut Veterinary Medical Journal, 2023, Pagina/e 0-0, ISSN 2314-5226
Editore: The Faculty of Veterinary Medicine, Assiut University, Assiut, Egypt
DOI: 10.21608/avmj.2023.218730.1157

Epitope Mapping and Binding Assessment by Solid-State NMR Provide a Way for the Development of Biologics under the Quality by Design Paradigm

Autori: Domenico Rizzo, Linda Cerofolini, Stefano Giuntini, Luisa Iozzino, Carlo Pergola, Francesca Sacco, Angelo Palmese, Enrico Ravera, Claudio Luchinat, Fabio Baroni, Marco Fragai
Pubblicato in: Journal of the American Chemical Society, 2022, ISSN 0002-7863
Editore: American Chemical Society
DOI: 10.1021/jacs.2c03232

Structure of the Borrelia bacteriophage φBB1 procapsid

Autori: Rūmnieks J, Füzik T, Tārs K.
Pubblicato in: Journal of Molecular Biology, 2023, ISSN 0022-2836
Editore: Academic Press
DOI: 10.1016/j.jmb.2023.168323

Structural and bioinformatics analyses identify deoxydinucleotide-specific nucleases and their association with genomic islands in gram-positive bacteria

Autori: Sofia Mortensen, Stanislava Kuncová, Justin D Lormand, Tanner M Myers, Soo-Kyoung Kim, Vincent T Lee, Wade C Winkler, Holger Sondermann
Pubblicato in: Nucleic Acids Research, Numero 53, 2025, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkae1235

<scp>NMR</scp> screening of low molecular weight inhibitors targeting the papain‐like protease (<scp>PLPro</scp>) of <scp>SARS</scp>‐<scp>CoV</scp>‐2

Autori: Dennis J. Pyper, Sridhar Sreeramulu, Benjamin T. Lanham, Elizabeth M. Engle, David Fushman, Harald Schwalbe
Pubblicato in: FEBS Open Bio, 2025, ISSN 2211-5463
Editore: Elsevier BV
DOI: 10.1002/2211-5463.70082

Di-meta-Substituted Fluorinated Benzenesulfonamides as Potent and Selective Anticancer Inhibitors of Carbonic Anhydrase IX and XII

Autori: Aivaras Vaškevičius, Mantas Žvirblis, Maija Kurtenoka, Janis Leitans, Elena Manakova, Vaida Paketurytė-Latvė, Agnė Kvietkauskaitė, Andris Kazaks, Vladislava Eimonta, Kamilė Čerepenkaitė, Justina Kazokaitė-Adomaitienė, Aurelija Mickevičiu̅tė, Vaida Juozapaitienė, Kaspars Tars, Saulius Gražulis, Jurgita Matulienė, Virginija Dudutienė, Kirill Shubin, Daumantas Matulis, Asta Zubrien
Pubblicato in: Journal of Medicinal Chemistry, 2025, ISSN 0022-2623
Editore: American Chemical Society
DOI: 10.1021/acs.jmedchem.5c01142

Multitasking Pharmacophores Support Cabotegravir-Based Long-Acting HIV Pre-Exposure Prophylaxis (PrEP)

Autori: Wan Z, Shi M, Gong Y, Lucci M, Li J, Zhou J, Yang X-L, Lelli M, He X, Mao J.
Pubblicato in: Molecules, 2024, ISSN 1420-3049
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules29020376

The COVID19-NMR Consortium: A Public Report on the Impact of this New Global Collaboration

Autori: Duchardt-Ferner E, Ferner J, Fürtig B, Hengesbach M, Richter C, Schlundt A, Sreeramulu S, Wacker A, Weigand JE, Wirmer-Bartoschek J, Schwalbe H.
Pubblicato in: Angewandte Chemie, 2023, ISSN 1433-7851
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/ange.202217171

The future of integrated structural biology

Autori: Harald Schwalbe, Pauline Audergon, Natalie Haley, Claudia Alen Amaro, Jon Agirre, Marc Baldus, Lucia Banci, Wolfgang Baumeister, Martin Blackledge, Jose Maria Carazo, Kristina Djinovic Carugo, Patrick Celie, Isabella Felli, Darren J. Hart, Thomas Hauß, Lari Lehtiö, Kresten Lindorff-Larsen, José Márquez, André Matagne, Roberta Pierattelli, Antonio Rosato, Frank Sobott, Sridhar Sreeramulu, Jan
Pubblicato in: Structure, 2024, ISSN 0969-2126
Editore: Cell Press
DOI: 10.1016/j.str.2024.08.014

Structural and biochemical characterization of the C‐terminal region of the human <scp>RTEL</scp>1 helicase

Autori: Giuseppe Cortone, Melissa A. Graewert, Manil Kanade, Antonio Longo, Raghurama Hegde, Amaia González‐Magaña, Belén Chaves‐Arquero, Francisco J. Blanco, Luisa M. R. Napolitano, Silvia Onesti
Pubblicato in: Protein Science, Numero 33, 2024, ISSN 0961-8368
Editore: Cold Spring Harbor Laboratory Press
DOI: 10.1002/pro.5093

X-ray structure and enzymatic study of a bacterial NADPH oxidase highlight the activation mechanism of eukaryotic NOX

Autori: Isabelle Petit-Hartlein, Annelise Vermot, Michel Thepaut, Anne-Sophie Humm, Florine Dupeux, Jerome Dupuy, Vincent Chaptal, Jose Antonio Marquez, Susan ME Smith, Franck Fieschi
Pubblicato in: eLife, Numero 13, 2024, ISSN 2050-084X
Editore: eLife Sciences Publications
DOI: 10.7554/elife.93759

NMR characterization and ligand binding site of the stem loop 2 motif (s2m) from the Delta variant of SARS-CoV-2

Autori: Matzel T, Wirtz Martin M, Herr A, Wacker A, Richter C, Sreeramulu S, Schwalbe H.
Pubblicato in: Matzel T, Wirtz Martin M, Herr A, Wacker A, Richter C, Sreeramulu S, Schwalbe H., 2024, ISSN 1469-9001
Editore: Cold Spring Harbor Laboratory Press
DOI: 10.1261/rna.079902.123

Protein in-cell NMR spectroscopy at 1.2 GHz

Autori: Enrico Luchinat, Letizia Barbieri, Matteo Cremonini, Lucia Banci
Pubblicato in: Journal of Biomolecular NMR, 2021, ISSN 0925-2738
Editore: Kluwer Academic Publishers
DOI: 10.1007/s10858-021-00358-w

Ultra-high Performance Liquid Chromatography−Ion Mobility−High-Resolution Mass Spectrometry to Evaluate the Metabolomic Response of Durum Wheat to Sustainable Treatments

Autori: Riboni N, Bianchi F, Mattarozzi M, Caldara M, Gullì M, Graziano S, Maestri E, Marmiroli N, Careri M.
Pubblicato in: J Agric Food Chem, 2023, ISSN 0021-8561
Editore: American Chemical Society
DOI: 10.1021/acs.jafc.3c04532

Discovery of a functionally selective serotonin receptor (5-HT1AR) agonist for the treatment of pain

Autori: Ullrich A, Schneider J, Braz JM, Neu E, Staffen N, Stanek M, Bláhová J, Hove T, Albert T, Allikalt A, Löber S, Bhardwaj K, Rodriguez-Rosado S, Fink E, Rasmussen T, Hübner H, Inoue A, Shoichet BK, Basbaum AI, Böttcher B, Weikert D, Gmeiner P.
Pubblicato in: Science Advances, 2025, ISSN 2375-2548
Editore: AAAS
DOI: 10.1126/sciadv.adv926

Backbone and side chain resonance assignment of the intrinsically disordered human DBNDD1 protein

Autori: Wiedemann C, Obika KB, Liebscher S, Jirschitzka J, Ohlenschläger O, Bordusa F.
Pubblicato in: Biomol NMR Assign., 2022, ISSN 1874-2718
Editore: Springer Verlag
DOI: 10.1007/s12104-022-10086-3

Toward Dual-Target Glycomimetics against Two Bacterial Lectins to Fight Pseudomonas aeruginosa–Burkholderia cenocepacia Infections: A Biophysical Study

Autori: Giulia Antonini, Mario Fares, Dirk Hauck, Patrycja Mała, Emilie Gillon, Laura Belvisi, Anna Bernardi, Alexander Titz, Annabelle Varrot, Sarah Mazzotta
Pubblicato in: Journal of Medicinal Chemistry, 2025, ISSN 0022-2623
Editore: American Chemical Society
DOI: 10.1021/acs.jmedchem.5c00405

Large-Scale Recombinant Production of the SARS-CoV-2 Proteome for High-Throughput and Structural Biology Applications

Autori: Nadide Altincekic, Sophie Marianne Korn, Nusrat Shahin Qureshi, Marie Dujardin, Martí Ninot-Pedrosa, Rupert Abele, Marie Jose Abi Saad, Caterina Alfano, Fabio C. L. Almeida, Islam Alshamleh, Gisele Cardoso de Amorim, Thomas K. Anderson, Cristiane D. Anobom, Chelsea Anorma, Jasleen Kaur Bains, Adriaan Bax, Martin Blackledge, Julius Blechar, Anja Böckmann, Louis Brigandat, Anna Bula, Matthias Büt
Pubblicato in: Frontiers in Molecular Biosciences, Numero 8, 2021, ISSN 2296-889X
Editore: Frontiers Media SA
DOI: 10.3389/fmolb.2021.653148

Approximating deformation fields for the analysis of continuous heterogeneity of biological macromolecules by 3D Zernike polynomials

Autori: David Herreros, Roy R. Lederman, James Krieger, Amaya Jiménez-Moreno, Marta Martínez, David Myška, David Strelak, Jiri Filipovic, Ivet Bahar, Jose Maria Carazo, Carlos Oscar S. Sanchez
Pubblicato in: IUCrJ, Numero 8/6, 2021, ISSN 2052-2525
Editore: IUCrJ
DOI: 10.1107/s2052252521008903

Solid‐state NMR Reveals Reorganization of the Aspergillus fumigatus Cell Wall Due to a Host‐Defence Peptide

Autori: Ajit Kumar Bishoyi, Jacq van Neer, Salima Bahri, Sophie Lorenz, Hans de Cock, Marc Baldus
Pubblicato in: Angewandte Chemie International Edition, 2025, ISSN 1433-7851
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202509012

Scipion3: A workflow engine for cryo-electron microscopy image processing and structural biology

Autori: Conesa P, Fonseca YC, Jiménez de la Morena J, Sharov G, de la Rosa-Trevín JM, Cuervo A, García Mena A, Rodríguez de Francisco B, del Hoyo D, Herreros D, Marchan D, Strelak D, Fernández-Giménez E, Ramírez-Aportela E, de Isidro-Gómez FP, Sánchez I, Krieger J, Vilas JL, del Cano L, Gragera M, Iceta M, Martínez M, Losana P, Melero R, Marabini R, Carazo JM, Sorzano COS.
Pubblicato in: Biological Imaging, 2023, ISSN 2633-903X
Editore: Cambridge University Press
DOI: 10.1017/s2633903x23000132

Structural deficits in key domains of Shank2 lead to alterations in postsynaptic nanoclusters and to a neurodevelopmental disorder in humans

Autori: Hassani Nia F, Woike D, Bento I, Niebling S, Tibbe D, Schulz K, Hirnet D, Skiba M, Hönck HH, Veith K, Günther C, Scholz T, Bierhals T, Driemeyer J, Bend R, Failla AV, Lohr C, Alai MG, Kreienkamp HJ
Pubblicato in: Molecular Psychiatry, 2022, ISSN 1359-4184
Editore: Nature Publishing Group
DOI: 10.1038/s41380-022-01882-3

Directed Evolution of Phi Class Glutathione Transferases Involved in Multiple-Herbicide Resistance of Grass Weeds and Crops

Autori: Ioannou E, Papageorgiou AC, Labrou NE.
Pubblicato in: International Journal of Molecular Sciences, 2022, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms23137469

Analysis and validation of overall N-glycan conformation in Privateer

Autori: Dialpuri JS, Bagdonas H, Atanasova M, Schofield LC, Hekkelman ML, Joosten RP, Agirre J.
Pubblicato in: Acta Crystallogr D Struct Biol, 2023, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798323003510

Teixobactin kills bacteria by a two-pronged attack on the cell envelope

Autori: Shukla R, Lavore F, Maity S, Derks MGN, Jones CR, Vermeulen BJA, Melcrová A, Morris MA, Becker LM, Wang X, Kumar R, Medeiros-Silva J, van Beekveld RAM, Bonvin AMJJ, Lorent JH, Lelli M, Nowick JS, MacGillavry HD, Peoples AJ, Spoering AL, Ling LL, Hughes DE, Roos WH, Breukink E, Lewis K, Weingarth M.
Pubblicato in: Nature, 2022, ISSN 1476-4687
Editore: Nature Research (subsidiary of Springer Nature)
DOI: 10.1038/s41586-022-05019-y

Cryo-EM structure of transcription termination factor Rho from Mycobacterium tuberculosis reveals bicyclomycin resistance mechanism

Autori: Saridakis E, Vishwakarma R, Lai-Kee-Him J, Martin K, Simon I, Cohen-Gonsaud M, Coste F, Bron P, Margeat E, Boudvillain M
Pubblicato in: Commun Biol., Numero 5(1):120, 2022, ISSN 2399-3642
Editore: Springer Nature Limited
DOI: 10.1038/s42003-022-03069-6

Amyloid fibril structure from the vascular variant of systemic AA amyloidosis.

Autori: Banerjee S, Baur J, Daniel C, Pfeiffer PB, Hitzenberger M, Kuhn L, Wiese S, Bijzet J, Haupt C, Amann KU, Zacharias M, Hazenberg BPC, Westermark GT, Schmidt M, Fändrich M.
Pubblicato in: Nature Communications, 2022, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-022-34636-4

The Internal Structural Dynamics of Elastin-Like Polypeptide Assemblies by 13C-Direct Detected NMR Spectroscopy

Autori: Dörte Brandis, Pavel Kadeřávek, Dennis Kurzbach
Pubblicato in: Analytical Chemistry, 2025, ISSN 0003-2700
Editore: American Chemical Society
DOI: 10.1021/acs.analchem.4c05163

AlphaFill: enriching AlphaFold models with ligands and cofactors

Autori: Hekkelman ML, De Vries I, Joosten RP, Perrakis A
Pubblicato in: Nature Methods, Numero 15487091, 2022, ISSN 1548-7091
Editore: Nature Publishing Group
DOI: 10.1038/s41592-022-01685-y

The structured organization of Deinococcus radiodurans' cell envelope

Autori: Farci D, Haniewicz P, Piano D.
Pubblicato in: Proc Natl Acad Sci U S A., 2022, ISSN 0027-8424
Editore: National Academy of Sciences
DOI: 10.1073/pnas.2209111119

splitSMLM, a spectral demixing method for high-precision multi-color localization microscopy applied to nuclear pore complexes

Autori: Andronov L, Genthial R, Hentsch D, Klaholz BP.
Pubblicato in: Communications Biology, Numero 23993642, 2022, ISSN 2399-3642
Editore: Nature Portfolio
DOI: 10.1038/s42003-022-04040-1

The SDBC is active in quenching oxidative conditions and bridges the cell envelope layers in Deinococcus radiodurans

Autori: Farci D, Graça AT, Iesu L, de Sanctis D, Piano D.
Pubblicato in: Journal of Biological Chemistry, 2022, ISSN 0021-9258
Editore: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102784

Improved detection of magnetic interactions in proteins based on long-lived coherences

Autori: Ianc O, Teleanu F, Ciumeică A, Lupulescu A, Sadet A, Vasos PR.
Pubblicato in: Communications Chemistry, 2024, ISSN 2399-3669
Editore: Nature Portfolio
DOI: 10.1038/s42004-024-01195-2

Purification and Structural Characterization of the Auxiliary Activity 9 Native Lytic Polysaccharide Monooxygenase from Thermoascus aurantiacus and Identification of Its C1- and C4-Oxidized Reaction Products

Autori: Weishuai Yu, Imran Mohsin, Anastassios C. Papageorgiou and Duochuan Li
Pubblicato in: Catalysts, 2022, ISSN 2073-4344
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/catal12020139

In-cell NMR suggests that DNA i-motif levels are strongly depleted in living human cells

Autori: Víšková P, Ištvánková E, Ryneš J, Džatko Š, Loja T, Živković ML, Rigo R, El-Khoury R, Serrano-Chacón I, Damha MJ, González C, Mergny JL, Foldynová-Trantírková S, Trantírek L.
Pubblicato in: Nature Communications, 2024, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-024-46221-y

PAXX binding to the NHEJ machinery explains functional redundancy with XLF

Autori: Seif-El-Dahan M, Kefala-Stavridi A, Frit P, Hardwick SW, Chirgadze DY, Maia De Oliviera T, Britton S, Barboule N, Bossaert M, Pandurangan AP, Meek K, Blundell TL, Ropars V, Calsou P, Charbonnier JB, Chaplin AK
Pubblicato in: Science Advances, 2023, ISSN 2375-2548
Editore: American Association for the Advancement of Science
DOI: 10.1126/sciadv.adg2834

Cryo-EM structure of a lysozyme-derived amyloid fibril from hereditary amyloidosis

Autori: Sara Karimi-Farsijani, Kartikay Sharma, Marijana Ugrina, Lukas Kuhn, Peter Benedikt Pfeiffer, Christian Haupt, Sebastian Wiese, Ute Hegenbart, Stefan O. Schönland, Nadine Schwierz, Matthias Schmidt, Marcus Fändrich
Pubblicato in: Nature Communications, Numero 15, 2024, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-024-54091-7

Structural rearrangement of amyloid-β upon inhibitor binding suppresses formation of Alzheimer’s disease related oligomers

Autori: Tobias Lieblein, Rene Zangl, Janosch Martin, Jan Hoffmann, Marie J Hutchison, Tina Stark, Elke Stirnal, Thomas Schrader, Harald Schwalbe, Nina Morgner
Pubblicato in: eLife, Numero 9, 2020, ISSN 2050-084X
Editore: eLife Sciences Publications
DOI: 10.7554/elife.59306

NMR quality control of fragment libraries for screening

Autori: Sridhar Sreeramulu, Christian Richter, Till Kuehn, Kamal Azzaoui, Marcel Jules José Blommers, Rebecca Del Conte, Marco Fragai, Nils Trieloff, Peter Schmieder, Marc Nazaré, Edgar Specker, Vladimir Ivanov, Hartmut Oschkinat, Lucia Banci, Harald Schwalbe
Pubblicato in: Journal of Biomolecular NMR, 2020, ISSN 0925-2738
Editore: Kluwer Academic Publishers
DOI: 10.1007/s10858-020-00327-9

Development of in vitro-grown spheroids as a 3D tumor model system for solid-state NMR spectroscopy

Autori: Reinier Damman, Alessandra Lucini Paioni, Katerina T. Xenaki, Irati Beltrán Hernández, Paul M. P. van Bergen en Henegouwen, Marc Baldus
Pubblicato in: Journal of Biomolecular NMR, Numero June 19 2020, 2020, ISSN 0925-2738
Editore: Kluwer Academic Publishers
DOI: 10.1007/s10858-020-00328-8

The basics of small-angle neutron scattering (SANS for new users of structural biology)

Autori: Cy M. Jeffries, Zuzanna Pietras, Dmitri I. Svergun
Pubblicato in: EPJ Web of Conferences, Numero 236, 2020, Pagina/e 03001, ISSN 2100-014X
Editore: EDP Sciences
DOI: 10.1051/epjconf/202023603001

Structure-Based Identification and Functional Characterization of a Lipocalin in the Malaria Parasite Plasmodium falciparum

Autori: Paul-Christian Burda, Thomas Crosskey, Katharina Lauk, Aimo Zurborg, Christoph Söhnchen, Benjamin Liffner, Louisa Wilcke, Emma Pietsch, Jan Strauss, Cy M. Jeffries, Dmitri I. Svergun, Danny W. Wilson, Matthias Wilmanns, Tim-Wolf Gilberger
Pubblicato in: Cell Reports, Numero 31/12, 2020, Pagina/e 107817, ISSN 2211-1247
Editore: Cell Press
DOI: 10.1016/j.celrep.2020.107817

Anomeric Selectivity of Trehalose Transferase with Rare l -Sugars

Autori: Luuk Mestrom, Stefan R. Marsden, Hessel van der Eijk, Jesper U. Laustsen, Cy M. Jeffries, Dmitri I. Svergun, Peter-Leon Hagedoorn, Isabel Bento, Ulf Hanefeld
Pubblicato in: ACS Catalysis, Numero 10/15, 2020, Pagina/e 8835-8839, ISSN 2155-5435
Editore: American Chemical Society
DOI: 10.1021/acscatal.0c02117

19F‐NMR‐based fragment screening for 14 different biologically active RNAs and 10 DNA and protein counter‐screens

Autori: Oliver Binas, Vanessa de Jesus, Tom Landgraf, Albrecht Eduard Völklein, Jason Martins, Daniel Hymon, Hannes Berg, Jasleen Kaur Bains, Thomas Biedenbänder, Boris Fürtig, Santosh Lakshmi Gande, Anna Niesteruk, Andreas Oxenfarth, Nusrat Shahin Qureshi, Tatjana Schamber, Robbin Schnieders, Alix Tröster, Anna Wacker, Julia Wirmer-Bartoschek, Maria Alexandra Wirtz Martin, Elke Stirnal, Kamal Azzaoui
Pubblicato in: ChemBioChem, Numero Aug 14 2020, 2020, ISSN 1439-4227
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/cbic.202000476

Cryo-Structured Illumination Microscopic Data Collection from Cryogenically Preserved Cells

Autori: Nina Vyas, Nina Perry, Chidinma A. Okolo, Ilias Kounatidis, Thomas M. Fish, Kamal L. Nahas, Archana Jadhav, Mohamed A. Koronfel, Johannes Groen, Eva Pereiro, Ian M. Dobbie, Maria Harkiolaki
Pubblicato in: Journal of Visualized Experiments, Numero 171, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62274

Scipion Flexibility Hub: an integrative framework for advanced analysis of conformational heterogeneity in cryoEM

Autori: Herreros D, Krieger JM, Fonseca Y, Conesa P, Harastani M, Vuillemot R, Hamitouche I, Serrano Gutiérrez R, Gragera M, Melero R, Jonic S, Carazo JM, Sorzano COS
Pubblicato in: Acta Crystallogr D Struct Biol, 2023, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798323004497

Structural insights into the mechanism of DNA branch migration during homologous recombination in bacteria

Autori: Leonardo Talachia Rosa, Émeline Vernhes, Anne-Lise Soulet, Patrice Polard, Rémi Fronzes
Pubblicato in: The EMBO Journal, 2024, ISSN 1460-2075
Editore: European Molecular Biology Organization, Nature Portfolio
DOI: 10.1038/s44318-024-00264-5

3D Heteronuclear Magnetization Transfers for the Establishment of Secondary Structures in SARS-CoV-2-Derived RNAs

Autori: Jihyun Kim, Mihajlo Novakovic, Sundaresan Jayanthi, Adonis Lupulescu, Eriks Kupce, J. Tassilo Grün, Klara Mertinkus, Andreas Oxenfarth, Christian Richter, Robbin Schnieders, Julia Wirmer-Bartoschek, Harald Schwalbe, Lucio Frydman
Pubblicato in: Journal of the American Chemical Society, 2021, ISSN 0002-7863
Editore: American Chemical Society
DOI: 10.1021/jacs.1c01914

Heteronuclear decoupling with Rotor-Synchronized Phase-Alternated Cycles

Autori: Simion A, Schubeis T, Tanguy Le Marchand T, Vasilescu M, Pintacuda G, Lesage A, Filip C
Pubblicato in: The Journal of Chemical Physics, 2022, ISSN 0021-9606
Editore: American Institute of Physics
DOI: 10.1063/5.0098135

NMR Studies on the Structure of Yeast Sis1 and the Dynamics of Its Interaction with Ssa1-EEVD

Autori: Carolina O. Matos, Glaucia M. S. Pinheiro, Icaro P. Caruso, Gisele C. Amorim, Fabio C. L. Almeida, Carlos H. I. Ramos
Pubblicato in: Molecules, Numero 30, 2024, Pagina/e 11, ISSN 1420-3049
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules30010011

Conservation and divergence of the G-interfaces of Drosophila melanogaster septins

Autori: de Freitas Fernandes A, Leonardo DA, Cavini IA, Rosa HVD, Vargas JA, D'Muniz Pereira H, Nascimento AS, Garratt RC
Pubblicato in: Cytoskeleton (Hoboken), 2022, ISSN 1949-3584
Editore: John Wiley & Sons Inc.
DOI: 10.1002/cm.21740

The Automated Crystallography Pipelines at the EMBL HTX Facility in Grenoble.

Autori: Irina Cornaciu, Raphael Bourgeas, Guillaume Hoffmann, Florine Dupeux, Anne-Sophie Humm, Vincent Mariaule, Andrea Pica, Damien Clavel, Gael Seroul, Peter Murphy, José Antonio Márquez
Pubblicato in: Journal of Visualized Experiments, Numero 172, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62491

The structure of the Vibrio natriegens 70S ribosome in complex with the proline-rich antimicrobial peptide Bac5(1–17)

Autori: Karoline Raulf, Timm O Koller, Bertrand Beckert, Alexander Lepak, Martino Morici, Mario Mardirossian, Marco Scocchi, Gert Bange, Daniel N Wilson
Pubblicato in: Nucleic Acids Research, Numero 53, 2025, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkaf324

An automated platform for structural analysis of membrane proteins through serial crystallography

Autori: Robert D. Healey, Shibom Basu, Anne-Sophie Humm, Cedric Leyrat, Xiaojing Cong, Jérome Golebiowski, Florine Dupeux, Andrea Pica, Sébastien Granier, José Antonio Márquez
Pubblicato in: bioRxiv, Numero June 3, 2021, 2021, ISSN 0362-4331
Editore: New York Times Company
DOI: 10.1101/2021.06.03.446146

Sarbecovirus programmed ribosome frameshift RNA element folding studied by NMR spectroscopy and comparative analyses

Autori: María Hernández-Marín, Ángel Cantero-Camacho, Ignacio Mena, Sergio López-Núñez, Adolfo García-Sastre, José Gallego
Pubblicato in: Nucleic Acids Research, 2024, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkae704

Direct Expression of Fluorinated Proteins in Human Cells for 19F In-Cell NMR Spectroscopy

Autori: Pham LBT, Costantino A, Barbieri L, Calderone V, Luchinat E, Banci L.
Pubblicato in: J Am Chem Soc, 2023, ISSN 0002-7863
Editore: American Chemical Society
DOI: 10.1021/jacs.2c12086

Shedding Light on Osteosarcoma Cell Differentiation: Impact on Biomineralization and Mitochondria Morphology

Autori: Rossi F, Picone G, Cappadone C, Sorrentino A, Columbaro M, Farruggia G, Catelli E, Sciutto G, Prati S, Oliete R, Pasini A, Pereiro E, Iotti S, Malucelli E
Pubblicato in: International Journal of Molecular Sciences, 2023, ISSN 1422-0067
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms24108559

Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin

Autori: Jan Wollenhaupt, Tatjana Barthel, Gustavo M. A. Lima, Alexander Metz, Dirk Wallacher, Elmir Jagudin, Franziska U. Huschmann, Thomas Hauß, Christian G. Feiler, Martin Gerlach, Michael Hellmig, Ronald Förster, Michael Steffien, Andreas Heine, Gerhard Klebe, Uwe Mueller, Manfred S. Weiss
Pubblicato in: Journal of Visualized Experiments, Numero 169, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62208

Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes

Autori: Lidia Ruiz, Zuzanna Kaczmarska, Tiago Gomes, Eric Aragon, Carles Torner, Regina Freier, Blazej Baginski, Pau Martin-Malpartida, Natàlia de Martin Garrido, José. A. Marquez, Tiago N. Cordeiro, Radoslaw Pluta, Maria J. Macias
Pubblicato in: Computational and Structural Biotechnology Journal, Numero 19, 2021, Pagina/e 632-646, ISSN 2001-0370
Editore: Elsevier
DOI: 10.1016/j.csbj.2020.12.044

In‐cell NMR of functional riboswitch aptamers in eukaryotic cells

Autori: P. Broft, S. Dzatko, M. Krafcikova, Robert Hansel-Hertsch, A. Wacker, Volker Doetsch, L. Trantirek, Harald Schwalbe
Pubblicato in: Angewandte Chemie International Edition, 2020, ISSN 1433-7851
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202007184

Magnetotactic bacteria from diverse Pseudomonadota families biomineralize intracellular Ca-carbonate

Autori: Camille C Mangin, Karim Benzerara, Marine Bergot, Nicolas Menguy, Béatrice Alonso, Stéphanie Fouteau, Raphaël Méheust, Daniel Chevrier, Christian Godon, Elsa Turrini, Neha Mehta, Arnaud Duverger, Cynthia Travert, Vincent Busigny, Elodie Duprat, Romain Bolzoni, Corinne Cruaud, Eric Viollier, Didier Jézéquel, David Vallenet, Christopher T Lefèvre, Caroline L Monteil
Pubblicato in: The ISME Journal, 2025, ISSN 1751-7362
Editore: Nature Publishing Group
DOI: 10.1093/ismejo/wrae260

Adding Size Exclusion Chromatography (SEC) and Light Scattering (LS) Devices to Obtain High-Quality Small Angle X-Ray Scattering (SAXS) Data

Autori: Melissa A. Graewert, Stefano Da Vela, Tobias W. Gräwert, Dmitry S. Molodenskiy, Clément E. Blanchet, Dmitri I. Svergun, Cy M. Jeffries
Pubblicato in: Crystals, Numero 10/11, 2020, Pagina/e 975, ISSN 2073-4352
Editore: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/cryst10110975

Magnetization transfer to enhance NOE cross‐peaks among labile protons: Applications to imino‐imino sequential walks in SARS‐CoV‐2‐derived RNAs

Autori: Mihajlo Novakovic, Eriks Kupce, Tali Scherf, Andreas Oxenfarth, Robbin Schnieders, Tassilo Grün, Julia Wirmer-Bartoschek, Christian Richter, Harald Schwalbe, Lucio Frydman
Pubblicato in: Angewandte Chemie International Edition, 2021, ISSN 1433-7851
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202015948

Cryo-EM structure of the fully assembled Elongator complex.

Autori: Jaciuk M, Scherf D, Kaszuba K, Gaik M, Rau A, Kościelniak A, Krutyhołowa R, Rawski M, Indyka P, Graziadei A, Chramiec-Głąbik A, Biela A, Dobosz D, Lin TY, Abbassi NE, Hammermeister A, Rappsilber J, Kosinski J, Schaffrath R, Glatt S.
Pubblicato in: Nucleic Acid Research, 2023, ISSN 1362-4962
Editore: Oxford Academic
DOI: 10.1093/nar/gkac1232

The Molecular Chaperone CCT Sequesters Gelsolin and Protects it from Cleavage by Caspase-3

Autori: Cuéllar J, Vallin J, Svanström A, Maestro-López M, Bueno-Carrasco MT, Ludlam WG, Willardson BM, Valpuesta JM, Grantham J
Pubblicato in: J Mol Biol, 2021, ISSN 0022-2836
Editore: Academic Press
DOI: 10.1016/j.jmb.2021.167399

Biomimetic, peptide-guided silica formation by real-time NMR of elastin-like and R5 fusion peptides – Bimodal peptide aggregation drives dual-pathway silicification mechanisms

Autori: Dörte Brandis, Dominik Obrist, Martin F.T. Haßler, Dennis Kurzbach
Pubblicato in: Journal of Molecular Biology, 2025, Pagina/e 169303, ISSN 0022-2836
Editore: Academic Press
DOI: 10.1016/j.jmb.2025.169303

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Autori: Alice Douangamath, Ailsa Powell, Daren Fearon, Patrick M. Collins, Romain Talon, Tobias Krojer, Rachael Skyner, Jose Brandao-Neto, Louise Dunnett, Alexandre Dias, Anthony Aimon, Nicholas M. Pearce, Conor Wild, Tyler Gorrie-Stone, Frank von Delft
Pubblicato in: Journal of Visualized Experiments, Numero 171, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62414

Enlarging the scenario of site directed 19F labeling for NMR spectroscopy of biomolecules

Autori: Vitali V, Torricella F, Massai L, Messori L, Banci L.
Pubblicato in: Scientific reports, 2023, ISSN 2045-2322
Editore: Nature Publishing Group
DOI: 10.1038/s41598-023-49247-2

Optimising in-cell NMR acquisition for nucleic acids

Autori: Annecke HTP, Eidelpes R, Feyrer H, Ilgen J, Gürdap CO, Dasgupta R, Petzold K
Pubblicato in: J Biomol NMR, 2024, ISSN 0925-2738
Editore: Kluwer Academic Publishers
DOI: 10.1007/s10858-024-00448-5

Engineered Nonviral Protein Cages Modified for MR Imaging

Autori: Kaster MA, Levasseur MD, Edwardson TGW, Caldwell MA, Hofmann D, Licciardi G, Parigi G, Luchinat C, Hilvert D, Meade TJ
Pubblicato in: ACS Applied Bio Materials, 2023, ISSN 2576-6422
Editore: American Chemical Society
DOI: 10.1021/acsabm.2c00892

Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC

Autori: Gárdonyi M, Hasewinkel C, Wallbaum J, Wollenhaupt J, Weiss MS, Klebe G, Reuter K, Heine A
Pubblicato in: ACS Omega, 2023, ISSN 2470-1343
Editore: American Chemical Society
DOI: 10.1021/acsomega.3c07058

Emerging Themes in CryoEM─Single Particle Analysis Image Processing

Autori: Vilas JL, Carazo JM, Sorzano COS
Pubblicato in: Chemical Reviews, 2022, ISSN 0009-2665
Editore: American Chemical Society
DOI: 10.1021/acs.chemrev.1c00850

X-ray structure of the metastable SEPT14-SEPT7 coiled coil reveals a hendecad region crucial for heterodimerization

Autori: Cavini IA, Winter AJ, D'Muniz Pereira H, Woolfson DN, Crump MP, Garratt RC
Pubblicato in: Acta Crystallogr D Struct Biol, 2023, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798323006514

Mg2+-dependent conformational equilibria in CorA and an integrated view on transport regulation

Autori: Johansen NT, Bonaccorsi M, Bengtsen T, Larsen AH, Tidemand FG, Pedersen MC, Huda P, Berndtsson J, Darwish T, Yepuri NR, Martel A, Pomorski TG, Bertarello A, Sansom M, Rapp M, Crehuet R, Schubeis T, Lindorff-Larsen K, Pintacuda G, Arleth L.
Pubblicato in: Elife, 2022, ISSN 2050-084X
Editore: eLife Sciences Publications
DOI: 10.7554/elife.71887

Secretory IgA and T cells targeting SARS-CoV-2 spike protein are transferred to the breastmilk upon mRNA vaccination

Autori: Juliana Goncalves, A. Margarida Juliano, Nadia Charepe, Marta Alenquer, Diogo Athayde, Filipe Ferreira, Margarida Archer, Maria Joao Amorim, Fatima Serrano, Helena Soares
Pubblicato in: Cell Reports Medicine, 2021, ISSN 2666-3791
Editore: Cell Press
DOI: 10.1016/j.xcrm.2021.100468

Structural and Functional Characterization of the Newly Designed Antimicrobial Peptide Crabrolin21

Autori: Cantini F, Giannì P, Bobone S, Troiano C, van Ingen H, Massoud R, Perini N, Migliore L, Savarin P, Sanders C, Stella L, Sette M
Pubblicato in: Membranes, 2023, ISSN 2077-0375
Editore: Molecular Diversity Preservation International
DOI: 10.3390/membranes13030365

The cryo-EM structure of the S-layer deinoxanthin-binding complex of Deinococcus radiodurans informs properties of its environmental interactions

Autori: Farci D, Haniewicz P, de Sanctis D, Iesu L, Kereïche S, Winterhalter M, Piano D.
Pubblicato in: J Biol Chem., 2022, ISSN 0021-9258
Editore: American Society for Biochemistry and Molecular Biology Inc.
DOI: 10.1016/j.jbc.2022.102031

1H‑Detected Biomolecular NMR under Fast Magic-Angle Spinning

Autori: Le Marchand T, Schubeis T, Bonaccorsi M, Paluch P, Lalli D, Pell AJ, Andreas LB, Jaudzems K, Stanek J, Pintacuda G.
Pubblicato in: Chemical Reviews, 2022, ISSN 1520-6890
Editore: ACS
DOI: 10.1021/acs.chemrev.1c00918

iNEXT-Discovery and Instruct-ERIC: Integrating High-End Services for Translational Research in Structural Biology

Autori: Hans Wienk, Lucia Banci, Susan Daenke, Eva Pereiro, Harald Schwalbe, David Ian Stuart, Manfred S. Weiss, Anastassis Perrakis
Pubblicato in: Journal of Visualized Experiments, Numero 177, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/63435

Molecular basis for transposase activation by a dedicated AAA+ ATPase

Autori: de la Gándara Á, Spínola-Amilibia M, Araújo-Bazán L, Núñez-Ramírez R, Berger JM, Arias-Palomo E.
Pubblicato in: Nature, 2024, ISSN 1476-4687
Editore: Springer Nature
DOI: 10.1038/s41586-024-07550-6

RAPP-containing arrest peptides induce translational stalling by short circuiting the ribosomal peptidyltransferase activity

Autori: Morici M, Gabrielli S, Fujiwara K, Paternoga H, Beckert B, Bock LV, Chiba S, Wilson DN
Pubblicato in: Nature Communications, 2024, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-024-46761-3

A round-robin approach provides a detailed assessment of biomolecular small-angle scattering data reproducibility and yields consensus curves for benchmarking

Autori: Jill Trewhella, Patrice Vachette, Jan Bierma, Clement Blanchet, Emre Brookes, Srinivas Chakravarthy, Leonie Chatzimagas, Thomas E. Cleveland, Nathan Cowieson, Ben Crossett, Anthony P. Duff, Daniel Franke, Frank Gabel, Richard E. Gillilan, Melissa Graewert, Alexander Grishaev, J. Mitchell Guss, Michal Hammel, Jesse Hopkins, Qingqui Huang, Jochen S. Hub, Greg L. Hura, Thomas C. Irving, Cy Michael Je
Pubblicato in: Acta Crystallographica Section D Structural Biology, Numero 78, 2022, Pagina/e 1315-1336, ISSN 2059-7983
Editore: Wiley
DOI: 10.1107/s2059798322009184

Modelling covalent linkages in CCP 4

Autori: Robert A. Nicholls, Robbie P. Joosten, Fei Long, Marcin Wojdyr, Andrey Lebedev, Eugene Krissinel, Lucrezia Catapano, Marcus Fischer, Paul Emsley, Garib N. Murshudov
Pubblicato in: Acta Crystallographica Section D Structural Biology, Numero 77/6, 2021, ISSN 2059-7983
Editore: IUCr
DOI: 10.1107/s2059798321001753

Combining Solid‐State NMR with Structural and Biophysical Techniques to Design Challenging Protein‐Drug Conjugates

Autori: Linda Cerofolini, Kristian Vasa, Elisa Bianconi, Maria Salobehaj, Giulia Cappelli, Alice Bonciani, Giulia Licciardi, Anna Pérez‐Ràfols, Luis Padilla‐Cortés, Sabrina Antonacci, Domenico Rizzo, Enrico Ravera, Caterina Viglianisi, Vito Calderone, Giacomo Parigi, Claudio Luchinat, Antonio Macchiarulo, Stefano Menichetti, Marco Fragai
Pubblicato in: Angewandte Chemie International Edition, Numero 62, 2023, ISSN 1433-7851
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202303202

Mixed‐Valence Compounds as Polarizing Agents for Overhauser Dynamic Nuclear Polarization in Solids**

Autori: Andrei Gurinov, Benedikt Sieland, Andrey Kuzhelev, Hossam Elgabarty, Thomas D. Kühne, Thomas Prisner, Jan Paradies, Marc Baldus, Konstantin L. Ivanov, Svetlana Pylaeva
Pubblicato in: Angewandte Chemie International Edition, Numero 60/28, 2021, Pagina/e 15371-15375, ISSN 1433-7851
Editore: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202103215

GluA4 AMPA receptor gating mechanisms and modulation by auxiliary proteins

Autori: Carlos Vega-Gutiérrez, Javier Picañol-Párraga, Irene Sánchez-Valls, Victoria del Pilar Ribón-Fuster, David Soto, Beatriz Herguedas
Pubblicato in: Nature Structural & Molecular Biology, 2025, ISSN 1545-9993
Editore: Nature Publishing Group
DOI: 10.1038/s41594-025-01666-7

Nucleocapsid assembly drives Ebola viral factory maturation and dispersion

Autori: Melina Vallbracht, Bianca S. Bodmer, Konstantin Fischer, Jana Makroczyova, Sophie L. Winter, Lisa Wendt, Moritz Wachsmuth-Melm, Thomas Hoenen, Petr Chlanda
Pubblicato in: Cell, 2024, ISSN 0092-8674
Editore: Cell Press
DOI: 10.1016/j.cell.2024.11.024

The structure of the human 80S ribosome at 1.9 Å resolution reveals the molecular role of chemical modifications and ions in RNA

Autori: Holvec S, Barchet C, Lechner A, Fréchin L, De Silva SNT, Hazemann I, Wolff P, von Loeffelholz O, Klaholz BP
Pubblicato in: Nature Structural & Molecular Biology, 2024, ISSN 1545-9985
Editore: Nature Portfolio
DOI: 10.1038/s41594-024-01274-x

Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection

Autori: Jalencas X, Berg H, Espeland LO, Sreeramulu S, Kinnen F, Richter C, Georgiou C, Yadrykhinsky V, Specker E, Jaudzems K, Mileti T, Harmel R, Gribbon P, Schwalbe H, Brenk R, Jirgensons A, Zaliani A, Mestres J.
Pubblicato in: RSC Medicinal Chemistry, 2024, ISSN 2632-8682
Editore: Royal Society of Chemistry
DOI: 10.1039/d3md00724c

AI revolutions in biology: The joys and perils of AlphaFold

Autori: Anastassis Perrakis, Titia K. Sixma
Pubblicato in: EMBO Reports, 2021, ISSN 1469-3178
Editore: EMBO Press
DOI: 10.15252/embr.202154046

Structures of annexin A2-PS DNA complexes show dominance of hydrophobic interactions in phosphorothioate binding

Autori: Hyjek-Składanowska M, Anderson BA, Mykhaylyk V, Orr C, Wagner A, Poznański JT, Skowronek K, Seth P, Nowotny M
Pubblicato in: Nucleic Acid Research, 2022, ISSN 0305-1048
Editore: Oxford University Press
DOI: 10.1093/nar/gkac774

Sample preparation strategies for efficient correlation of 3D SIM and soft X-ray tomography data at cryogenic temperatures

Autori: Chidinma A. Okolo, Ilias Kounatidis, Johannes Groen, Kamal L. Nahas, Stefan Balint, Thomas M. Fish, Mohamed A. Koronfel, Aitziber L. Cortajarena, Ian M. Dobbie, Eva Pereiro, Maria Harkiolaki
Pubblicato in: Nature Protocols, Numero 16/6, 2021, Pagina/e 2851-2885, ISSN 1754-2189
Editore: Nature Publishing Group
DOI: 10.1038/s41596-021-00522-4

Preparation and Cryo-FIB micromachining of Saccharomyces cerevisiae for Cryo-Electron Tomography

Autori: Jana Moravcová, Matyáš Pinkas, Radka Holbová, Jiří Nováček
Pubblicato in: Journal of Visualized Experiments, Numero 177, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62351

High-resolution structures of a thermophilic eukaryotic 80S ribosome reveal atomistic details of translocation

Autori: Miglė Kišonaitė, Klemens Wild, Karine Lapouge, Thomas Ruppert, Irmgard Sinning
Pubblicato in: Nature Communications, 2022, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-022-27967-9

Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARSCoV-2

Autori: Di Micco S, Rahimova R, Sala M,Scala MC, Vivenzio G, Musella S, Andrei G, Remans K, Mammri L, Snoeck R, Bifulco G, Di Matteo F, Vestuto V, Campiglia P, Márquez JA, Fasano A.
Pubblicato in: European Journal of Medicinal Chemistry, Numero 02235234, 2022, ISSN 0223-5234
Editore: Elsevier BV
DOI: 10.1016/j.ejmech.2022.114857

The translating bacterial ribosome at 1.55 Å resolution generated by cryo-EM imaging services

Autori: Fromm SA, O'Connor KM, Purdy M, Bhatt PR, Loughran G, Atkins JF, Jomaa A, Mattei S.
Pubblicato in: Nature communications, 2023, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-023-36742-3

A multi-scale numerical approach to study monoclonal antibodies in solution

Autori: Polimeni M, Zaccarelli E, Gulotta A, Lund M, Stradner A, Schurtenberger P
Pubblicato in: APL Bioengineering, 2024, ISSN 2473-2877
Editore: American Institute of Physics
DOI: 10.1063/5.0186642

Estimating conformational landscapes from Cryo-EM particles by 3D Zernike polynomials

Autori: D. Herreros, R. R. Lederman, J. M. Krieger, A. Jiménez-Moreno, M. Martínez, D. Myška, D. Strelak, J. Filipovic, C. O. S. Sorzano, J. M. Carazo
Pubblicato in: Nature Communications, Numero 14, 2023, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-023-35791-y

Integration of NMR Spectroscopy in an Analytical Workflow to Evaluate the Effects of Oxidative Stress on Abituzumab: Beyond the Fingerprint of mAbs

Autori: Cerofolini L, Ravera E, Fischer C, Trovato A, Sacco F, Palinsky W, Angiuoni G, Fragai M, Baroni F.
Pubblicato in: Analytical Chemistry, 2023, ISSN 1520-6882
Editore: ACS Publications
DOI: 10.1021/acs.analchem.3c00317

The macromolecular crystallography beamlines of the Helmholtz-Zentrum Berlin at the BESSY II storage ring: history, current status and future directions

Autori: Uwe Mueller, Tatjana Barthel, Laila S. Benz, Volodymyr Bon, Thomas Crosskey, Camilla Genter Dieguez, Ronald Förster, Christine Gless, Thomas Hauß, Udo Heinemann, Michael Hellmig, David James, Frank Lennartz, Melanie Oelker, Ruslan Ovsyannikov, Parinita Singh, Markus C. Wahl, Gert Weber, Manfred S. Weiss
Pubblicato in: Journal of Synchrotron Radiation, Numero 32, 2025, ISSN 1600-5775
Editore: IUCr Journals
DOI: 10.1107/s1600577525001110

NMR-based Fragment Screening in a Minimum Sample but Maximum Automation Mode

Autori: Hannes Berg, M. A. Wirtz Martin, A. Niesteruk, C. Richter, S. Sreeramulu, H. Schwalbe
Pubblicato in: Journal of Visualized Experiments, Numero 172, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62262

Nano-Differential Scanning Fluorimetry for Screening in Fragment-based Lead Discovery

Autori: Misbha Ud Din Ahmad, Alexander Fish, Jeroen Molenaar, Sridhar Sreeramulu, Christian Richter, Nadide Altincekic, Harald Schwalbe, Hans Wienk, Anastassis Perrakis
Pubblicato in: Journal of Visualized Experiments, Numero 171, 2021, ISSN 1940-087X
Editore: MYJoVE Corporation
DOI: 10.3791/62469

Higher resolution in cryo-EM by the combination of macromolecular prior knowledge and image-processing tools

Autori: Ramirez-Aportela E, Carazo JM, Sorzano COS
Pubblicato in: IUCrJ, 2022, ISSN 2052-2525
Editore: IUCr
DOI: 10.1107/s2052252522006959

Structural basis of CDNF interaction with the UPR regulator GRP78

Autori: Melissa A. Graewert, Maria Volkova, Klara Jonasson, Juha A. E. Määttä, Tobias Gräwert, Samara Mamidi, Natalia Kulesskaya, Johan Evenäs, Richard E. Johnsson, Dmitri Svergun, Arnab Bhattacharjee, Henri J. Huttunen
Pubblicato in: Nature Communications, Numero 15, 2024, ISSN 2041-1723
Editore: Nature Publishing Group
DOI: 10.1038/s41467-024-52478-0

Rational Crystal Contact Engineering for Programmable Self-Assembled Protein Architectures

Autori: Mantas Liutkus, Adriana Rojas, Aitziber Cortajarena
Pubblicato in: ChemRxiv, 2025, ISSN 2573-2293
Editore: American Chemical Society (ACS)
DOI: 10.26434/chemrxiv-2025-tnk5w

Controlled pH Alteration Enables Guanine Accumulation and Drives Crystallization within Iridosomes

Autori: Zohar Eyal, Anna Gorelick-Ashkenazi, Rachael Deis, Yuval Barzilay, Yonatan Broder, Asher Perry Kellum, Neta Varsano, Michal Hartstein, Andrea Sorrentino, Ifat Kaplan-Ashiri, Katya Rechav, Rebecca Metzler, Lothar Houben, Leeor Kronik, Peter Rez, Dvir Gur
Pubblicato in: BioRxiv, 2024, ISSN 2692-8205
Editore: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.07.20.604036

TIR domains produce histidine-ADPR conjugates as immune signaling molecules in bacteria

Autori: Sabonis D, Avraham C, Lu A, Herbst E, Silanskas A, Leavitt A, Yirmiya E, Zaremba M, Amitai G, Kranzusch PJ, Sorek R, Tamulaitiene G.
Pubblicato in: bioRxiv, 2024, ISSN 2692-8205
Editore: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.01.03.573942

Macrophage activation of cGAS and TRIM5 distinguish pandemic and non-pandemic HIV

Autori: Lorena Zuliani Alvarez, Morten L. Govasli, Jane Rasaiyaah, Chris Monit, Stephen O. Perry, Rebecca P. Sumner, Simon McAlpine-Scott, Claire Dickson, K. M. Rifat Faysal, Laura Hilditch, Richard J. Miles, Frederic Bibollet-Ruche, Beatrice H. Hahn, Till Boecking, Nikos Pinotsis, Leo C. James, David A. Jacques, Greg J. Towers
Pubblicato in: bioRxiv, 2022, ISSN 2692-8205
Editore: bioRxiv
DOI: 10.1101/2022.01.21.477263

An original potentiating mechanism revealed by the cryoEM structures of the human α7 nicotinic receptor in complex with nanobodies

Autori: Prevost MS, Barilone N, Dejean De La Batie G, Pons S, Ayme G, England P, Gielen M, Bontems F, Pehau-Arnaudet G, Maskos U, Lafaye P, Corringer P-J.
Pubblicato in: bioRxiv, 2023, ISSN 2692-8205
Editore: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.01.03.522595

Phase distortion-free pNMR spectra

Autori: Enrico Ravera
Pubblicato in: arXiv.org, 2021, ISSN 2331-8422
Editore: arXiv.org / Cornell University

Organisation of axial regions of isolated mitotic chromosomes visualised by cryo correlative light and electron tomography

Autori: Gurudatt Patra, Mohamad Harastani, Kumiko Samejima, Lucy Remnant, Nathalie Troffer-Charlier, Corrine Crucifix, Alexandre Durand, Nils Marechal, Yves Lutz, Anna M. Steyer, Zhengyi Yang, Wim J. H. Hagen, William C. Earnshaw, Mikhail Eltsov
Pubblicato in: BioRxiv, 2025, ISSN 2692-8205
Editore: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.02.06.636497

Structural mechanisms of autoinhibition and substrate recognition by the ubiquitin ligase HACE1

Autori: Düring J, Wolter M, Toplak J, Torres C, Dybkov O, Fokkens TJ, Urlaub H, Steinchen W, Dienemann C, Lorenz S.
Pubblicato in: Research Square, 2023, ISSN 2693-5015
Editore: Springer Nature
DOI: 10.21203/rs.3.rs-3220888/v1

Scipion-EM-ProDy: A Graphical Interface for the ProDy Python Package within the Scipion Workflow Engine enabling Integration of Databases, Simulations and Cryo-Electron Microscopy Image Processing

Autori: Krieger JM, Sorzano COS, Carazo JM.
Pubblicato in: Preprints 2023, 2023080828, 2023, ISSN 2310-287X
Editore: Preprints
DOI: 10.20944/preprints202308.0828.v1

Improved detection of magnetic interactions in proteins based on long-lived coherences

Autori: Sadet A, Ianc O, Teleanu F, Ciumeică A, Lupulescu A, Vasos P.
Pubblicato in: Research Square, 2024, ISSN 2693-5015
Editore: Springer Nature
DOI: 10.21203/rs.3.rs-3694602/v1

A Modular Platform for Streamlining Automated Cryo-FIB Workflows

Autori: Klumpe S, Fung HKH, Goetz SK, Zagoriy I, Hampoetz B, Zhang X, Erdmann PS, Baumbach J, Müller CW, Beck M, Plitzko JM, Mahamid J.
Pubblicato in: bioRxiv, 2021, ISSN 0362-4331
Editore: New York Times Company
DOI: 10.1101/2021.05.19.444745

Structural basis for activation and mechanism of the bacterial hexameric motors RadA and ComM in DNA branch migration during homologous recombination

Autori: Talachia Rosa L, Vernhes E, Soulet AL, Polard P, Fronzes R.
Pubblicato in: BioRxiv, 2024, ISSN 2692-8205
Editore: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.02.15.580443

Iron Oxide Nanoparticles as Positive T1 Contrast Agents for Low-Field Magnetic Resonance Imaging at 64 mT

Autori: Oberdick S, Jordanova K, Lundstrom J, Parigi G, Poorman M, Poorman G, Keenan K.
Pubblicato in: Research Square, 2023, ISSN 2693-5015
Editore: Research Square Company
DOI: 10.21203/rs.3.rs-2485292/v1

EasyGrid: A versatile platform for automated cryo-EM sample preparation and quality control

Autori: Gemin O, Armijo V, Hons M, Bissardon C, Linares R, Bowler MW, Wolff G, Kovalev K, Babenko A, Salo VT, Schneider S, Rossi C, Lecomte L, Deckers T, Lauzier K, Janocha R, Felisaz F, Sinoir J, Galej WP, Mahamid J, Muller CW, Eustermann S, Mattei S, Cipriani F, Papp G.
Pubblicato in: bioRxiv, 2024, ISSN 2692-8205
Editore: Cold Spring Harbor Laboratory
DOI: 10.1101/2024.01.18.576170

Inducible protein expression in stably transfected cells paves the way toward in-cell NMR studies in defined physiological states and 3D tissue cultures

Autori: Rynes J, Istvankova E, Krafcikova M, Luchinat E, Barbieri L, Banci L, Kamarytova K, Loja T, Fafilek B, Rico-Llanos G, Krejci P, Macurek L, Foldynova-Trantirkova S, Trantirek L.
Pubblicato in: ChemRxiv, 2024, ISSN 2573-2293
Editore: Cambridge Unversity Press
DOI: 10.26434/chemrxiv-2024-jqd66-v2

Structure of the dopamine D3 receptor bound to a bitopic agonist reveals a new specificity site in an expanded allosteric pocket

Autori: Arroyo-Urea S, Nazarova AL, Carrión-Antolí A, Bonifazi A, Battiti FO, Homing Lam J, Hauck Newman A, Katritch V, García-Nafría J.
Pubblicato in: Research Square, 2023, ISSN 2693-5015
Editore: Springer Nature
DOI: 10.21203/rs.3.rs-3433207/v1

From isolated polyelectrolytes to star-like assemblies: The role of sequence heterogeneity on the statistical structure of the intrinsically disordered Neurofilament-low tail domain

Autori: Kravikass M, Koren G, Saleh OA, Beck R.
Pubblicato in: arXiv, 2023, ISSN 2331-8422
Editore: Cornell University

Continuum architecture dynamics of vesicle tethering in exocytosis

Autori: Marta Puig-Tintó, Sebastian Ortiz, Sasha Meek, Raffaele Coray, Altair C. Hernández, Anna Castellet, Eric Kramer, Laura I. Betancur, Philipp Hoess, Markus Mund, Mercè Izquierdo-Serra, Baldo Oliva, Alex de Marco, Jonas Ries, Daniel Castaño-Díez, Carlo Manzo, Oriol Gallego
Pubblicato in: BioRxiv, 2025, ISSN 2692-8205
Editore: Cold Spring Harbor Laboratory
DOI: 10.1101/2025.02.05.635468

DNA i-motif levels are overwhelmingly depleted in living human cells: insights from in-cell NMR.

Autori: Trantirek L, Viskova P, Istvankova E, Rynes J, Dzatko S, Loja T, Lenarcic Zivkovic M, Rigo R, El-Khoury R, Serano I, Damha M, Gonzalez C, Mergny JL, Foldynova-Trantirkova S.
Pubblicato in: Research Square, 2023, ISSN 2693-5015
Editore: Springer Nature
DOI: 10.21203/rs.3.rs-3734993/v1

Improvements on marker-free images alignment for electron tomography

Autori: Sorzano COS, De Isidro-Gomez F, Fernandez-Gimenez E, Herreros D, Marco S, Carazo JM, Messaoudi C.
Pubblicato in: BioRxiv, Numero May 24 2020, 2020, ISSN 0362-4331
Editore: New York Times Company
DOI: 10.1101/2020.05.22.110445

Multitarget Virtual Screening for Drug Repurposing in COVID19

Autori: CO Sorzano, E Crisman, JM Carazo, R leon
Pubblicato in: ChemRxiv, Numero July 17 2020, 2020, ISSN 2573-2293
Editore: American Chemical Society (ACS), Chinese Chemical Society, Chemical Society of Japan, German Chemical Society (GDCh) and the Royal Society of Chemistry

The BAF A12T mutation reduces BAF affinity to lamin A/C, preventing its recruitment to nuclear ruptures in Nestor Guillermo Progeria Syndrome cells.

Autori: Janssen AFJ, Marcelot A, Breusegem SY, Legrand P, Zinn-Justin S, Larrieu D
Pubblicato in: bioRxiv, 2022, ISSN 2692-8205
Editore: Cold Spring Harbor Laboratory
DOI: 10.1101/2022.02.25.481780

Site-Directed Spin Labeling with the Bis-Nitroxide AsymPol Enables Targeted DNP MAS NMR of RNA

Autori: Rubin Dasgupta, Christian Steinmetzger, Ancy T. Wilson, Satyaki Chatterjee, Gunnar W. Reginsson, Snorri Th. Sigurdsson, Katja Petzold
Pubblicato in: ChemRXiv, 2025, ISSN 2573-2293
Editore: Cambridge University Press
DOI: 10.26434/chemrxiv-2025-1tkv0

Annulate Lamellae biogenesis is essential for nuclear pore function

Autori: Izabela Sumara, Junyan Lin, Arantxa Agote-Arán, Yongrong Liao, Rafael Schoch, Paolo Ronchi, Victor Cochard, Rui Zhu, Charlotte Kleiss, Marc Ruff, Guillaume Chevreux, Yannick Schwab, Bruno Klaholz
Pubblicato in: Research Square, 2024, ISSN 2693-5015
Editore: Springer Science and Business Media LLC
DOI: 10.21203/rs.3.rs-5104543/v1

Intramolecular Structural Heterogeneity altered by Long-range Contacts in an Intrinsically Disordered Protein

Autori: Koren G, Meir S, Holschuh L, Mertens HDT, Ehm T, Yahalom N, Golombek A, Schwartz T, Svergun DI, Saleh OA, Dzubiella J, Beck R.
Pubblicato in: arXiv e-prints, 2022, ISSN 2331-8422
Editore: Cornell University
DOI: 10.48550/arxiv.2212.01894

Plasticity of the binding pocket in peptide transporters underpins 2 promiscuous substrate recognition

Autori: Kotov V, Killer M, Jungnickel KEJ, Lei J, Finocchio G, Steinke J, Bartels K, Strauss J, Dupeux F, Humm A-S, Cornaciu I, Márquez JA, Pardon E, Steyaert J, Löw C.
Pubblicato in: bioRxiv, 2023, ISSN 2692-8205
Editore: Cold Spring Harbor Laboratory
DOI: 10.1101/2023.02.14.528348

Production and Preparation of Isotopically Labeled Human Membrane Proteins in Pichia pastoris for Fast-MAS-NMR Analyses

Autori: Barret L, Schubeis T, Kugler V, Guyot L, Pintacuda G, Wagner R.
Pubblicato in: Methods Mol Biol. 2022, Numero 2507, 2022, Pagina/e 201-221, ISBN 978-1-0716-2367-1
Editore: Springer
DOI: 10.1007/978-1-0716-2368-8_11

Cryo-focused ion beam lamella preparation protocol for in situ Structural Biology

Autori: Jana Moravcová, Radka Dopitová, Matyáš Pinkas, Jiří Nováček
Pubblicato in: Methods in Molecular Biology, Numero Vol. 2305, Ch. 15, 2021
Editore: Springer
DOI: 10.1007/978-1-0716-1406-8

Cryo-Focused Ion Beam Lamella Preparation Protocol for in Situ Structural Biology

Autori: Moravcova J, Dopitova R, Pinkas M, Novacek J
Pubblicato in: Methods. Methods Mol Biol. 2021; 2305, 2021, Pagina/e 301-322, ISBN 978-1-0716-1405-1
Editore: Springer
DOI: 10.1007/978-1-0716-1406-8_15

Image Processing in Cryo-Electron Microscopy of Single Particles: The Power of Combining Methods

Autori: Sorzano COS, Jiménez-Moreno A, Maluenda D, Ramírez-Aportela E, Martínez M, Cuervo A, Melero R, Conesa JJ, Sánchez-García R, Strelak D, Filipovic J, Fernández-Giménez E, de Isidro-Gómez F, Herreros D, Conesa P, Del Caño L, Fonseca Y, de la Morena JJ, Macías JR, Losana P, Marabini R, Carazo JM.
Pubblicato in: Methods. Methods Mol Biol. 2021; 2305, 2021, Pagina/e 257-289, ISBN 978-1-0716-1405-1
Editore: Springer
DOI: 10.1007/978-1-0716-1406-8_13

Cryogenic Preparations of Biological Specimens for Cryo-Electron Tomography

Autori: D’Imprima E, Fung HKH, Zagoriy I, Mahamid J
Pubblicato in: Cryo-Electron Tomography - Structural Biology in situ, 2024, Pagina/e 85-114, ISBN 978-3-031-51171-4
Editore: Springer Cham
DOI: 10.1007/978-3-031-51171-4_3

Mixed-valence compounds as polarizing agents for Overhauser dynamic nuclear polarization in solids

Autori: Andrei Gurinov, Benedikt Sieland, Andrei Kuzhelev, Hossam Elgabarty, Thomas D. Kuhne, Thomas Prisner, Jan Paradies, Marc Baldus, Konstantin L. Ivanov, and Svetlana Pylaeva
Pubblicato in: Condensed Matter - arXiv.org, 2021
Editore: Cornell University

Combining scattering experiments and colloid theory to characterize charge effects in concentrated antibody solutions

Autori: Gulotta A, Polimeni M, Lenton S, Starr CG, Kingsbury JS, Stradner A, Zaccarelli E, Schurtenberger P.
Pubblicato in: arXiv, 2023, ISSN 2331-8422
Editore: arXiv

Structural analysis of human ex vivo amyloid fibrils from systemic AA amyloidosis

Autori: Banerjee S
Pubblicato in: 2023
Editore: Banerjee S

È in corso la ricerca di dati su OpenAIRE...

Risultati finali

Pubblicazioni

Condividi questa pagina Condividi questa pagina sui social network

Scarica Scarica il contenuto della pagina