Publications | Infrastructure for NMR, EM and X-rays for Translational Research

All publications emerging from iNEXT-Discovery should acknowledge iNEXT-Discovery and appear as Open Access (green or gold)

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

Zhou S, Ruan M, Li Y, Yang J, Bai S, Richter C, Schwalbe H, Xie C, Shen B, Wang J.

Cell Res. 2020 Dec 14. doi: 10.1038/s41422-020-00452-y

PED in 2021: a major update of the protein ensemble database for intrinsically disordered proteins

Lazar T, Martínez-Pérez E, Quaglia F, Hatos A, Chemes LB, Iserte JA, Méndez NA, Garrone NA, Saldaño TE, Marchetti J, Rueda AJV, Bernadó P, Blackledge M, Cordeiro TN, Fagerberg E, Forman-Kay JD, Fornasari MS, Gibson TJ, Gomes GW, Gradinaru CC, Head-Gordon T, Jensen MR, Lemke EA, Longhi S, Marino-Buslje C, Minervini G, Mittag T, Monzon AM, Pappu RV, Parisi G, Ricard-Blum S, Ruff KM, Salladini E, Skepö M, Svergun D, Vallet SD, Varadi M, Tompa P, Tosatto SCE, Piovesan D

Nucleic Acids Res. 2020 Dec 10:gkaa1021. doi: 10.1093/nar/gkaa1021

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

Graewert MA, De Vela S, Gräwert TW, Molodenskiy DS, Blanchet CE, Svergun DI, Jeffries CM

Crystals 2020 Oct 27. doi: 10.3390/cryst10110975

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

Luchinat E, Barbieri L, Cremonini M, Nocentini, A, Supuran CT, Banci L

ACS Chem Biol. 2020 Oct 16. doi: 10.1021/acschembio.0c00590

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

Luchinat E, Barbieri L, Campbell TF, Banci L

Anal Chem. 2020 Jul 21. doi: 10.1021/acs.analchem.0c01677

In-cell NMR of functional riboswitch aptamers in eukaryotic cells

Broft P, Dzatko S, Krafcikova M, Wacker A, Hansel-Hertsch R, Trantirek L, Schwalbe, H

Angew Chem Int Ed Engl. 2020 Sep 25. doi: 10.1002/anie.202007184

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

Binas O, de Jesus V, Landgraf T, Völklein AE, Martins J, Hymon D, Berg H, Bains JK, Biedenbänder T, Fürtig B, Gande SL, Niesteruk A, Oxenfarth A, Qureshi NS, Schamber T, Schnieders R, Tröster A, Wacker A, Wirmer-Bartoschek J, Martin MAW, Stirnal E, Azzaoui K, Blommers MJJ, Richter C, Sreeramulu S, Schwalbe H

ChemBioChem. 2020, Aug 14. doi: 10.1002/cbic.202000476

Anomeric Selectivity of Trehalose Transferase with Rare L-Sugars

Mestrom L, Marsden SR, Van der Eijk H, Laustsen JU, Jeffries CM, Svergun DI, Hagedoorn PL, Bento, I, Hanefeld, U

ACS Catal. 2020, 10, 8835−8839. doi: 10.1021/acscatal.0c02117

Multitarget Virtual Screening for Drug Repurposing in COVID19

Sorzano CO, Crisman E, Carazo JM, Leon R

ChemRxiv. 2020 July 17.

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

Jeffries CM, Pietras Z, Svergun DI

EPJ Web of Conferences. 2020 July 1; 236 03001. doi: 10.1051/epjconf/202023603001

Improvements on marker-free images alignment for electron tomography

Sorzano COS, De Isidro-Gomez F, Fernandez-Gimenez E, Herreros D, Marco S, Carazo JM, Messaoudi C

BioRxiv. 2020 May 24. doi: 10.1101/2020.05.22.110445

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

Burda PC, Crosskey T, Lauk K, Zurborg A, Söhnchen C, Liffner B, Wilcke L, Pietsch E, Strauss J, Jeffries CM, Svergun DI, Wilson DW, Wilmanns M, Gilberger TW

Cell Rep. 2020 Jun 23;31(12):107817. doi: 10.1016/j.celrep.2020.107817

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

Damman R, Lucini Paioni A, Xenaki KT, Beltrán Hernández I, van Bergen En Henegouwen PMP, Baldus M

J Biomol NMR. 2020 Jun 19. doi: 10.1007/s10858-020-00328-8

NMR quality control of fragment libraries for screening

Sreeramulu S, Richter C, Kuehn T, Azzaoui K, Blommers MJJ, Del Conte R, Fragai M, Trieloff N, Schmieder P, Nazaré M, Specker E, Ivanov V, Oschkinat H, Banci L, Schwalbe H

J Biomol NMR. 2020 Jun 12. doi: 10.1007/s10858-020-00327-9