Methyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes.

ABSTRACT: Structures of protein-ligand complexes provide critical information for drug design. Most protein-ligand complex structures are determined using X-ray crystallography, but where crystallography is not able to generate a structure for a complex, NMR is often the best alternative. However, the available tools to enable rapid and robust structure determination of protein-ligand complexes by NMR are currently limited. This leads to situations where projects are either discontinued or pursued without structural data, rendering the task more difficult. We previously reported the NMR Molecular Replacement (NMR²) approach that allows the structure of a protein-ligand complex to be determined without requiring the cumbersome task of protein resonance assignment. Herein, we describe the N

SUBMITTER: Mohanty B 

PROVIDER: S-EPMC9253027 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature