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TitleETX2514 is a broad-spectrum beta-lactamase inhibitor for the treatment of drug-resistant Gram-negative bacteria including Acinetobacter baumannii.
Journal, issue, pagesNat Microbiol, Vol. 2, Page 17104-17104, Year 2017
Publish dateApr 7, 2017 (structure data deposition date)
AuthorsDurand-Reville, T.F. / Guler, S. / Comita-Prevoir, J. / Chen, B. / Bifulco, N. / Huynh, H. / Lahiri, S. / Shapiro, A.B. / McLeod, S.M. / Carter, N.M. ...Durand-Reville, T.F. / Guler, S. / Comita-Prevoir, J. / Chen, B. / Bifulco, N. / Huynh, H. / Lahiri, S. / Shapiro, A.B. / McLeod, S.M. / Carter, N.M. / Moussa, S.H. / Velez-Vega, C. / Olivier, N.B. / McLaughlin, R. / Gao, N. / Thresher, J. / Palmer, T. / Andrews, B. / Giacobbe, R.A. / Newman, J.V. / Ehmann, D.E. / de Jonge, B. / O'Donnell, J. / Mueller, J.P. / Tommasi, R.A. / Miller, A.A.
External linksNat Microbiol / PubMed:28665414
MethodsX-ray diffraction
Resolution1.93 Å
Structure data

PDB-5vfd:
Diazabicyclooctenone ETX2514 bound to Class D beta lactamase OXA-24 from A. baumannii
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-9CP:
(2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide

ChemComp-9CM:
(2S,5R)-4-methyl-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]oct-3-ene-2-carboxamide

ChemComp-HOH:
WATER

Source
  • acinetobacter baumannii (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / ETX2514 / beta-lactamase / PBP Gram negative / Astrazeneca / Entasis / A. baumannii / covalent inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex

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