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Structure paper

TitleStructure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Journal, issue, pagesBioorg. Med. Chem., Vol. 29, Year 2020
Publish dateMar 16, 2018 (structure data deposition date)
AuthorsMa, G. / Wang, S. / Wu, K. / Zhang, W. / Ahmad, A. / Hao, Q. / Lei, X. / Zhang, H.
External linksBioorg. Med. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution0.98 - 1.1 Å
Structure data

PDB-5zio:
Crystal structure of NDM-1 in complex with L-captopril
Method: X-RAY DIFFRACTION / Resolution: 0.98 Å

PDB-5zj2:
Crystal structure of NDM-1 in complex with D-captopril
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-X8Z:
L-CAPTOPRIL / inhibitor, medication*YM

ChemComp-HOH:
WATER

ChemComp-MCO:
1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE / NDM-1 / metallo-beta-lactamase / antibiotic resistent / inhibitor / thio compounds

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