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TitleBoronic Acid Transition State Inhibitors as Potent Inactivators of KPC and CTX-M beta-Lactamases: Biochemical and Structural Analyses.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 67, Page e0093022-e0093022, Year 2023
Publish dateApr 26, 2022 (structure data deposition date)
AuthorsAlsenani, T.A. / Rodriguez, M.M. / Ghiglione, B. / Taracila, M.A. / Mojica, M.F. / Rojas, L.J. / Hujer, A.M. / Gutkind, G. / Bethel, C.R. / Rather, P.N. ...Alsenani, T.A. / Rodriguez, M.M. / Ghiglione, B. / Taracila, M.A. / Mojica, M.F. / Rojas, L.J. / Hujer, A.M. / Gutkind, G. / Bethel, C.R. / Rather, P.N. / Introvigne, M.L. / Prati, F. / Caselli, E. / Power, P. / van den Akker, F. / Bonomo, R.A.
External linksAntimicrob. Agents Chemother. / PubMed:36602311
MethodsX-ray diffraction
Resolution1.38 Å
Structure data

PDB-7utb:
KPC-2 CARBAPENEMASE IN COMPLEX WITH THE BORONIC ACID INHIBITOR MB_076
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

Chemicals

ChemComp-OC0:
[(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron

ChemComp-HOH:
WATER

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE/INHIBITOR / beta-lactamase / carbapenemase / inhibitor complex / HYDROLASE / HYDROLASE-INHIBITOR complex

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