iNEXT-Discovery: Scientific publications


Publications from iNEXT-Discovery acknowledging iNEXT-Discovery are appearing as Open Access


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

Kim J, Novakovic M, Jayanthi S, Lupulescu A, Kupce E, Grün JT, Mertinkus K, Oxenfarth A, Richter C, Schnieders R, Wirmer-Bartoschek J, Schwalbe H, Frydman L.
J Am Chem Soc. 2021 Mar 30. doi: 10.1021/jacs.1c01914

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

Ying Wang Y, Kirkpatrick J, zur Lage S, Korn SM, Neißner K, Schwalbe H, Schlundt A, Carlomagno T.
Biomol NMR Assign. 2021 Mar 26:1-9. doi: 10.1007/s12104-021-10019-6


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

Marcelot A, Petitalot A, Ropars V, Le Du M-H, Samson C, Dubois S, Hoffmann G, Miron S, Cuniasse P, Marquez JA, Thai R, Theillet F-X, Zinn-Justin S.
Nucleic Acids Res. 2021. doi: 10.1093/nar/gkab184


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

Barbieri L, Luchinat E.
J. Vis. Exp. 2021. 169, e62323. doi: 10.3791/62323


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

Moravcová J, Dopitová R, Pinkas M, Nováček J.
doi: 10.1007/978-1-0716-1406-8


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

Novakovic M, Kupce E, Scherf T, Oxenfarth A, Schnieders R, Grün T, Wirmer-Bartoschek J, Richter C, Schwalbe H, Frydman L.
Angew Chem Int Ed Engl. 2021 doi: 10.1002/anie.202015948

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

Gurinov A, Sieland B, Kuzhelev A, Elgabarty H, Kuhne TD, Prisner T, Paradies J, Baldus M, Ivanov KL, Pylaeva S.


Protein in-cell NMR spectroscopy at 1.2 GHz

Luchinat E, Barbieri, L, Cremonini M, Banci L.
J Biomol NMR. 2021. doi: 10.1007/s10858-021-00358-w

Real-time NMR spectroscopy in the study of biomolecular kinetics and dynamics

Pintér G, Hohmann KF, Grün JT, Wirmer-Bartoschek J, Glaubitz C, Fürtig B, Schwalbe H.
Magnetic Resonance Discussions. 2021. doi: 10.5194/mr-2021-16

The folding landscapes of human telomeric RNA and DNA G-quadruplexes are markedly different

Müller D, Bessi I, Richter C, Schwalbe H.
Angew Chem Int Ed Engl. 2021, doi: 10.1002/anie.202100280


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

Barthel T, Huschmann FU, Wallacher D, Feiler CG, Klebe G, Weiss MS, Wollenhaupt J.
J. Appl. Cryst. 2021, 54, 376-382. doi: 10.1107/S1600576720016477


Structural rearrangement of amyloid-beta upon inhibitor binding suppresses formation of Alzheimer's disease related oligomers

Lieblein T, Zangl R, Martin J, Hoffmann J, Hutchison MJ, Stark T, Stirnal E, Schrader T, Schwalbe H, Morgner N.
Elife. 2020 Oct 23;9:e59306. doi: 10.7554/eLife.59306


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