Using chemical shift perturbation to characterise ligand binding

MP Williamson - Progress in nuclear magnetic resonance spectroscopy, 2013 - Elsevier
Chemical shift perturbation (CSP, chemical shift mapping or complexation-induced changes
in chemical shift, CIS) follows changes in the chemical shifts of a protein when a ligand is …

Quantitative analysis of protein–ligand interactions by NMR

A Furukawa, T Konuma, S Yanaka, K Sugase - Progress in Nuclear …, 2016 - Elsevier
Protein–ligand interactions have been commonly studied through static structures of the
protein–ligand complex. Recently, however, there has been increasing interest in …

Perspectives on nuclear magnetic resonance spectroscopy in drug discovery research

J Caceres-Cortes, B Falk, L Mueller… - Journal of Medicinal …, 2024 - ACS Publications
The drug discovery landscape has undergone a significant transformation over the past
decade, owing to research endeavors in a wide range of areas leading to strategies for …

Funnel-metadynamics and solution NMR to estimate protein–ligand affinities

L Troussicot, F Guillière, V Limongelli… - Journal of the …, 2015 - ACS Publications
One of the intrinsic properties of proteins is their capacity to interact selectively with other
molecules in their environment, inducing many chemical equilibria each differentiated by the …

A unique Mdm2-binding mode of the 3-pyrrolin-2-one-and 2-furanone-based antagonists of the p53-Mdm2 interaction

E Surmiak, A Twarda-Clapa, KM Zak… - ACS chemical …, 2016 - ACS Publications
The p53 pathway is inactivated in almost all types of cancer by mutations in the p53
encoding gene or overexpression of the p53 negative regulators, Mdm2 and/or Mdmx …

[HTML][HTML] Molecular basis for phosphorylation-dependent SUMO recognition by the DNA repair protein RAP80

A Anamika, L Spyracopoulos - Journal of Biological Chemistry, 2016 - ASBMB
Recognition and repair of double-stranded DNA breaks (DSB) involves the targeted
recruitment of BRCA tumor suppressors to damage foci through binding of both ubiquitin …

An allosteric hot spot in the tandem-SH2 domain of ZAP-70 regulates T-cell signaling

K Gangopadhyay, B Manna, S Roy, S Kumari… - Biochemical …, 2020 - portlandpress.com
T-cell receptor (TCR) signaling is initiated by recruiting ZAP-70 to the cytosolic part of TCR.
ZAP-70, a non-receptor tyrosine kinase, is composed of an N-terminal tandem SH2 (tSH2) …

Binding isotherms and time courses readily from magnetic resonance

J Xu, SR Van Doren - Analytical chemistry, 2016 - ACS Publications
Evidence is presented that binding isotherms, simple or biphasic, can be extracted directly
from noninterpreted, complex 2D NMR spectra using principal component analysis (PCA) to …

Retroviral RNase H: Structure, mechanism, and inhibition

TV Ilina, T Brosenitsch, N Sluis-Cremer, R Ishima - The enzymes, 2021 - Elsevier
All retroviruses encode the enzyme, reverse transcriptase (RT), which is involved in the
conversion of the single-stranded viral RNA genome into double-stranded DNA. RT is a …

Nucleotide Binding and Active Site Gate Dynamics for the Hsp90 Chaperone ATPase Domain from Benchtop and High Field 19F NMR Spectroscopy

S Rashid, BL Lee, B Wajda… - The Journal of Physical …, 2020 - ACS Publications
Protein turnover in cells is regulated by the ATP dependent activity of the Hsp90 chaperone.
In concert with accessory proteins, ATP hydrolysis drives the obligate Hsp90 dimer through …