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TitleAncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Journal, issue, pagesActa Pharm Sin B, Vol. 11, Page 1931-1946, Year 2021
Publish dateJul 6, 2020 (structure data deposition date)
AuthorsDai, Q. / Yan, Y. / Ning, X. / Li, G. / Yu, J. / Deng, J. / Yang, L. / Li, G.B.
External linksActa Pharm Sin B / PubMed:34386329
MethodsX-ray diffraction
Resolution2.174 Å
Structure data

PDB-7chv:
Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 2.174 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-FZX:
1-(phenylmethyl)imidazole-2-carboxylic acid

ChemComp-FMT:
FORMIC ACID

ChemComp-HOH:
WATER

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE / Metallo-beta-lactamase VIM-2 / VIM-2

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