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TitleMethyl probes in proteins for determining ligand binding mode in weak protein-ligand complexes.
Journal, issue, pagesSci Rep, Vol. 12, Page 11231-11231, Year 2022
Publish dateFeb 2, 2022 (structure data deposition date)
AuthorsMohanty, B. / Orts, J. / Wang, G. / Nebl, S. / Alwan, W.S. / Doak, B.C. / Williams, M.L. / Heras, B. / Mobli, M. / Scanlon, M.J.
External linksSci Rep / PubMed:35789157
MethodsX-ray diffraction
Resolution1.99 Å
Structure data

PDB-7ttv:
E.coli DsbA in complex with 4-phenyl-2-(3-phenylpropyl)thiazole-5-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-QVP:
4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid

ChemComp-CU:
COPPER (II) ION

ChemComp-HOH:
WATER

Source
  • escherichia coli k-12 (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Inhibitor / complex / disulfide oxidoreductase / fragments / OXIDOREDUCTASE / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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