ArticleMethods in enzymology2011
Binding site identification and structure determination of protein-ligand complexes by NMR a semiautomated approach.
Article in Methods in enzymology, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 39 papers.
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Who cites it
39 citing papers in PubMed.
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- Fragment-based screening by protein-detected NMR spectroscopy.Methods in enzymology · 2023Article
- Protocol to identify drug-binding sites in proteins using solution NMR spectroscopy.STAR protocols · 2022Article
- Binding Adaptation of GS-441524 Diversifies Macro Domains and Downregulates SARS-CoV-2 de-MARylation Capacity.Journal of molecular biology · 2022Article
- Implications of critical node-dependent unidirectional cross-talk of Plasmodium SUMO pathway proteins.Biophysical journal · 2022Article
- Selective Binding of Small Molecules to Vibrio cholerae DsbA Offers a Starting Point for the Design of Novel Antibacterials.ChemMedChem · 2022Article
- Parallel detection and spatial mapping of large nuclear spin clusters.Nature communications · 2022Article
- Structure and Gating Behavior of the Human Integral Membrane Protein VDAC1 in a Lipid Bilayer.Journal of the American Chemical Society · 2022Article
- Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.Acta crystallographica. Section D, Structural biology · 2022Article
- Chemo-informatics guided study of natural inhibitors targeting rho GTPase: a lead for treatment of glaucoma.In silico pharmacology · 2021Article
- Studying the Structures of Relaxed and Fuzzy Interactions: The Diverse World of S100 Complexes.Frontiers in molecular biosciences · 2021Review
- NMR fragment screening reveals a novel small molecule binding site near the catalytic surface of the disulfide-dithiol oxidoreductase enzyme DsbA from Burkholderia pseudomallei.Journal of biomolecular NMR · 2020Article
- NMR as a "Gold Standard" Method in Drug Design and Discovery.Molecules (Basel, Switzerland) · 2020Review
- Solution structure of the Hop TPR2A domain and investigation of target druggability by NMR, biochemical and in silico approaches.Scientific reports · 2020Article
- Identifying Ortholog Selective Fragment Molecules for Bacterial Glutaredoxins by NMR and Affinity Enhancement by Modification with an Acrylamide Warhead.Molecules (Basel, Switzerland) · 2019Article
- The Fragment-Based Development of a Benzofuran Hit as a New Class ofMolecules (Basel, Switzerland) · 2019Article
- Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain.Journal of molecular biology · 2019Article
- A Cysteine-Reactive Small Photo-Crosslinker Possessing Caged-Fluorescence Properties: Binding-Site Determination of a Combinatorially-Selected Peptide by Fluorescence Imaging/Tandem Mass Spectrometry.International journal of molecular sciences · 2018Article
- Exploring a new ligand binding site of G protein-coupled receptors.Chemical science · 2018Article
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Abstract
Over the last 15 years, the role of NMR spectroscopy in the lead identification and optimization stages of pharmaceutical drug discovery has steadily increased. NMR occupies a unique niche in the biophysical analysis of drug-like compounds because of its ability to identify binding sites, affinities, and ligand poses at the level of individual amino acids without necessarily solving the structure of the protein-ligand complex. However, it can also provide structures of flexible proteins and low-affinity (K(d)>10(-6)M) complexes, which often fail to crystallize. This chapter emphasizes a throughput-focused protocol that aims to identify practical aspects of binding site characterization, automated and semiautomated NMR assignment methods, and structure determination of protein-ligand complexes by NMR.
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