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TitlePhenylboronic Acid Derivatives as Validated Leads Active in Clinical Strains Overexpressing KPC-2: A Step against Bacterial Resistance.
Journal, issue, pagesChemmedchem, Vol. 13, Page 713-724, Year 2018
Publish dateJul 26, 2016 (structure data deposition date)
AuthorsCelenza, G. / Vicario, M. / Bellio, P. / Linciano, P. / Perilli, M. / Oliver, A. / Blazquez, J. / Cendron, L. / Tondi, D.
External linksChemmedchem / PubMed:29356380
MethodsX-ray diffraction
Resolution1.4 - 1.5 Å
Structure data

PDB-5ll7:
Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-5mgi:
Crystal structure of KPC-2 carbapenemase in complex with a phenyl boronic inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-6YV:
(~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
  • klebsiella oxytoca (bacteria)
KeywordsHYDROLASE / carbapenemase / beta-lactamase / phenyl boronic inhibitor

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