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Structure paper

TitleMolecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Journal, issue, pagesAcs Chem. Biol., Vol. 10, Page 591-600, Year 2015
Publish dateOct 8, 2014 (structure data deposition date)
AuthorsLahiri, S.D. / Mangani, S. / Jahic, H. / Benvenuti, M. / Durand-Reville, T.F. / De Luca, F. / Ehmann, D.E. / Rossolini, G.M. / Alm, R.A. / Docquier, J.D.
External linksAcs Chem. Biol. / PubMed:25406838
MethodsX-ray diffraction
Resolution2.3 - 2.4 Å
Structure data

PDB-4wm9:
Acinetobacter baumanii OXA-24 complex with Avibactam
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4wmc:
OXA-48 covalent complex with Avibactam inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-NXL:
(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide / antibiotic, inhibitor*YM

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CO2:
CARBON DIOXIDE

ChemComp-HOH:
WATER

Source
  • acinetobacter baumannii (bacteria)
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE / beta-lactamase / class D carbapenemase / inhibitor / OXA-48 / Avibactam

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