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Structure paper

TitleStructural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 64, Year 2020
Publish dateDec 8, 2019 (structure data deposition date)
AuthorsPemberton, O.A. / Tsivkovski, R. / Totrov, M. / Lomovskaya, O. / Chen, Y.
External linksAntimicrob. Agents Chemother. / PubMed:32778546
MethodsX-ray diffraction
Resolution1 - 1.25 Å
Structure data

PDB-6v7h:
Structure of CTX-M-14 bound to Vaborbactam at 1.0 A
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-6v7i:
Structure of KPC-2 bound to Vaborbactam at 1.25 A
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-4D6:
Vaborbactam / antibiotic, inhibitor*YM

ChemComp-WXM:
2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid

ChemComp-PO4:
PHOSPHATE ION

ChemComp-K:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

Source
  • escherichia coli (E. coli)
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE / ESBL / boronate / beta-lactamase / inhibitor / carbapenemase

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