In-cell structural biology by NMR: the benefits of the atomic scale

FX Theillet - Chemical reviews, 2022 - ACS Publications
In-cell structural biology aims at extracting structural information about proteins or nucleic
acids in their native, cellular environment. This emerging field holds great promise and is …

NMR spectroscopy captures the essential role of dynamics in regulating biomolecular function

TR Alderson, LE Kay - Cell, 2021 - cell.com
Biomolecules are in constant motion. To understand how they function, and why
malfunctions can cause disease, it is necessary to describe their three-dimensional …

AlphaFold 2: why it works and its implications for understanding the relationships of protein sequence, structure, and function

J Skolnick, M Gao, H Zhou, S Singh - Journal of chemical …, 2021 - ACS Publications
AlphaFold 2 (AF2) was the star of CASP14, the last biannual structure prediction experiment.
Using novel deep learning, AF2 predicted the structures of many difficult protein targets at or …

Structural mechanism of a drug-binding process involving a large conformational change of the protein target

P Ayaz, A Lyczek, YT Paung, VR Mingione… - Nature …, 2023 - nature.com
Proteins often undergo large conformational changes when binding small molecules, but
atomic-level descriptions of such events have been elusive. Here, we report unguided …

Structural analysis of the full-length human LRRK2

A Myasnikov, H Zhu, P Hixson, B Xie, K Yu, A Pitre… - Cell, 2021 - cell.com
Mutations in leucine-rich repeat kinase 2 (LRRK2) are commonly implicated in the
pathogenesis of both familial and sporadic Parkinson's disease (PD). LRRK2 regulates …

Structural features of the protein kinase domain and targeted binding by small-molecule inhibitors

C Arter, L Trask, S Ward, S Yeoh, R Bayliss - Journal of Biological …, 2022 - ASBMB
Protein kinases are key components in cellular signaling pathways as they carry out the
phosphorylation of proteins, primarily on Ser, Thr, and Tyr residues. The catalytic activity of …

Commercial gigahertz-class NMR magnets

P Wikus, W Frantz, R Kümmerle… - Superconductor …, 2022 - iopscience.iop.org
Nuclear magnetic resonance (NMR) spectroscopy is a wide-spread analytical technique
which is used in a large range of different fields, such as quality control, food analysis …

High-throughput prediction of protein conformational distributions with subsampled AlphaFold2

G Monteiro da Silva, JY Cui, DC Dalgarno… - nature …, 2024 - nature.com
This paper presents an innovative approach for predicting the relative populations of protein
conformations using AlphaFold 2, an AI-powered method that has revolutionized biology by …

Mechanism for the activation of the anaplastic lymphoma kinase receptor

AV Reshetnyak, P Rossi, AG Myasnikov, M Sowaileh… - Nature, 2021 - nature.com
Anaplastic lymphoma kinase (ALK) is a receptor tyrosine kinase (RTK) that regulates
important functions in the central nervous system,. The ALK gene is a hotspot for …

In-cell NMR: Why and how?

FX Theillet, E Luchinat - Progress in Nuclear Magnetic Resonance …, 2022 - Elsevier
NMR spectroscopy has been applied to cells and tissues analysis since its beginnings, as
early as 1950. We have attempted to gather here in a didactic fashion the broad diversity of …