The power and pitfalls of AlphaFold2 for structure prediction beyond rigid globular proteins

V Agarwal, AC McShan - Nature Chemical Biology, 2024 - nature.com
Artificial intelligence-driven advances in protein structure prediction in recent years have
raised the question: has the protein structure-prediction problem been solved? Here, with a …

[HTML][HTML] Mechanistic analysis by NMR spectroscopy: A users guide

Y Ben-Tal, PJ Boaler, HJA Dale, RE Dooley… - Progress in nuclear …, 2022 - Elsevier
A 'principles and practice'tutorial-style review of the application of solution-phase NMR in the
analysis of the mechanisms of homogeneous organic and organometallic reactions and …

Pseudocontact shifts in biomolecular NMR spectroscopy

T Müntener, D Joss, D Häussinger… - Chemical Reviews, 2022 - ACS Publications
Paramagnetic centers in biomolecules, such as specific metal ions that are bound to a
protein, affect the nuclei in their surrounding in various ways. One of these effects is the …

The precious fluorine on the ring: fluorine NMR for biological systems

A Boeszoermenyi, B Ogórek, A Jain, H Arthanari… - Journal of biomolecular …, 2020 - Springer
The fluorine-19 nucleus was recognized early to harbor exceptional properties for NMR
spectroscopy. With 100% natural abundance, a high gyromagnetic ratio (83% sensitivity …

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 …

Automated backbone NMR resonance assignment of large proteins using redundant linking from a single simultaneous acquisition

J Stanek, T Schubeis, P Paluch, P Guntert… - Journal of the …, 2020 - ACS Publications
Thanks to magic-angle spinning (MAS) probes with frequencies of 60–100 kHz, the benefit
of high-sensitivity 1H detection can now be broadly realized in biomolecular solid-state NMR …

Efficient and economic protein labeling for NMR in mammalian expression systems: Application to a preT‐cell and T‐cell receptor protein

RJ Mallis, JJ Lee, AV Berg, KN Brazin… - Protein …, 2024 - Wiley Online Library
Protein nuclear magnetic resonance (NMR) spectroscopy relies on the ability to isotopically
label polypeptides, which is achieved through heterologous expression in various host …

NMR sample optimization and backbone assignment of a stabilized neurotensin receptor

M Mohamadi, D Goricanec, G Wagner… - Journal of structural biology, 2023 - Elsevier
G protein-coupled receptors (GPCRs) are involved in a multitude of cellular signaling
cascades and consequently are a prominent target for pharmaceutical drugs. In the past …

[HTML][HTML] Automated assignment of methyl NMR spectra from large proteins

I Pritišanac, TR Alderson, P Güntert - Progress in nuclear magnetic …, 2020 - Elsevier
As structural biology trends towards larger and more complex biomolecular targets, a
detailed understanding of their interactions and underlying structures and dynamics is …

[HTML][HTML] Protein structure determination in living cells

T Ikeya, P Güntert, Y Ito - International journal of molecular sciences, 2019 - mdpi.com
To date, in-cell NMR has elucidated various aspects of protein behaviour by associating
structures in physiological conditions. Meanwhile, current studies of this method mostly have …