Principles for integrative structural biology studies

MP Rout, A Sali - Cell, 2019 - cell.com
Integrative structure determination is a powerful approach to modeling the structures of
biological systems based on data produced by multiple experimental and theoretical …

Mass spectrometric epitope mapping

KFM Opuni, M Al‐Majdoub, Y Yefremova… - Mass spectrometry …, 2018 - Wiley Online Library
Mass spectrometric epitope mapping has become a versatile method to precisely determine
a soluble antigen's partial structure that directly interacts with an antibody in solution. Typical …

The EVcouplings Python framework for coevolutionary sequence analysis

TA Hopf, AG Green, B Schubert, S Mersmann… - …, 2019 - academic.oup.com
Coevolutionary sequence analysis has become a commonly used technique for de novo
prediction of the structure and function of proteins, RNA, and protein complexes. We present …

Inferring protein 3D structure from deep mutation scans

NJ Rollins, KP Brock, FJ Poelwijk, MA Stiffler… - Nature …, 2019 - nature.com
We describe an experimental method of three-dimensional (3D) structure determination that
exploits the increasing ease of high-throughput mutational scans. Inspired by the success of …

Origins of coevolution between residues distant in protein 3D structures

I Anishchenko, S Ovchinnikov… - Proceedings of the …, 2017 - National Acad Sciences
Residue pairs that directly coevolve in protein families are generally close in protein 3D
structures. Here we study the exceptions to this general trend—directly coevolving residue …

Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex

DF Gauto, LF Estrozi, CD Schwieters, G Effantin… - Nature …, 2019 - nature.com
Atomic-resolution structure determination is crucial for understanding protein function. Cryo-
EM and NMR spectroscopy both provide structural information, but currently cryo-EM does …

Deactivation pathway of Ras GTPase underlies conformational substates as targets for drug design

S Lu, D Ni, C Wang, X He, H Lin, Z Wang, J Zhang - Acs Catalysis, 2019 - ACS Publications
Aberrant activation of Ras GTPase is closely associated with human cancers. Mechanistic
and structural insights into conformational transitions underlying the Ras deactivation …

Backbone-independent NMR resonance assignments of methyl probes in large proteins

S Nerli, VS De Paula, AC McShan… - Nature …, 2021 - nature.com
Methyl-specific isotope labeling is a powerful tool to study the structure, dynamics and
interactions of large proteins and protein complexes by solution-state NMR. However …

Potts Hamiltonian models of protein co-variation, free energy landscapes, and evolutionary fitness

RM Levy, A Haldane, WF Flynn - Current opinion in structural biology, 2017 - Elsevier
Potts Hamiltonian models of protein sequence co-variation are statistical models constructed
from the pair correlations observed in a multiple sequence alignment (MSA) of a protein …

Unveiling conformational dynamics changes of H-Ras induced by mutations based on accelerated molecular dynamics

J Chen, W Wang, L Pang, W Zhu - Physical Chemistry Chemical …, 2020 - pubs.rsc.org
Uncovering molecular basis with regard to the conformational change of two switches I and
II in the GppNHp (GNP)-bound H-Ras is highly significant for the understanding of Ras …