Paramagnetic chemical probes for studying biological macromolecules

Q Miao, C Nitsche, H Orton, M Overhand… - Chemical …, 2022 - ACS Publications
Paramagnetic chemical probes have been used in electron paramagnetic resonance (EPR)
and nuclear magnetic resonance (NMR) spectroscopy for more than four decades. Recent …

[HTML][HTML] Affinity measurement of strong ligands with NMR spectroscopy: Limitations and ways to overcome them

C Dalvit, I Gmür, P Rößler, AD Gossert - Progress in Nuclear Magnetic …, 2023 - Elsevier
NMR spectroscopy is currently extensively used in binding assays for hit identification, but its
use in dissociation constant determination is more limited when compared to other …

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 …

Investigating protein–ligand interactions by solution nuclear magnetic resonance spectroscopy

W Becker, KC Bhattiprolu, N Gubensäk… - …, 2018 - Wiley Online Library
Protein–ligand interactions are of fundamental importance in almost all processes in living
organisms. The ligands comprise small molecules, drugs or biological macromolecules and …

Current NMR techniques for structure-based drug discovery

T Sugiki, K Furuita, T Fujiwara, C Kojima - Molecules, 2018 - mdpi.com
A variety of nuclear magnetic resonance (NMR) applications have been developed for
structure-based drug discovery (SBDD). NMR provides many advantages over other …

[PDF][PDF] Pseudocontact shifts in biomolecular NMR using paramagnetic metal tags

C Nitsche, G Otting - 2017 - core.ac.uk
Pseudocontact shifts in biomolecular NMR using paramagnetic metal tags Page 1 1
Pseudocontact shifts in biomolecular NMR using paramagnetic metal tags Christoph …

Paramagnetic NMR in drug discovery

CA Softley, MJ Bostock, GM Popowicz… - Journal of Biomolecular …, 2020 - Springer
The presence of an unpaired electron in paramagnetic molecules generates significant
effects in NMR spectra, which can be exploited to provide restraints complementary to those …

Design and applications of lanthanide chelating tags for pseudocontact shift NMR spectroscopy with biomacromolecules

D Joss, D Häussinger - Progress in nuclear magnetic resonance …, 2019 - Elsevier
In this review, lanthanide chelating tags and their applications to pseudocontact shift NMR
spectroscopy as well as analysis of residual dipolar couplings are covered. A complete …

Lanthanide tags for site-specific ligation to an unnatural amino acid and generation of pseudocontact shifts in proteins

CT Loh, K Ozawa, KL Tuck, N Barlow… - Bioconjugate …, 2013 - ACS Publications
Pseudocontact shifts (PCS) from paramagnetic lanthanide ions present powerful long-range
structural restraints for structural biology by NMR spectroscopy, but site-specific tagging of …

The application of paramagnetic lanthanoid ions in NMR spectroscopy on proteins

WM Liu, M Overhand, M Ubbink - Coordination Chemistry Reviews, 2014 - Elsevier
Lanthanoids are gaining popularity as paramagnetic centers for high resolution nuclear
magnetic resonance (NMR) spectroscopy. They provide valuable angular and long-distance …