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TitleCharacterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
Journal, issue, pagesJ. Biol. Chem., Vol. 299, Page 105135-105135, Year 2023
Publish dateApr 18, 2023 (structure data deposition date)
AuthorsThoden, J.B. / Benin, B.M. / Priebe, A. / Shin, W.S. / Muthyala, R. / Sham, Y.Y. / Holden, H.M.
External linksJ. Biol. Chem. / PubMed:37549809
MethodsX-ray diffraction
Resolution1.3 Å
Structure data

PDB-8sk2:
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia, apo form
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-8sko:
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia with L-Captopril bound
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-8skp:
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia in complex with 1-hydroxypyridine-2(1H)-thione-6-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

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

ChemComp-WAF:
1-hydroxy-6-sulfanylidene-1,6-dihydropyridine-2-carboxylic acid

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE / beta-lactamase / antibiotic resistance / metallo-enzyme / HYDROLASE/INHIBITOR / HYDROLASE-INHIBITOR complex

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