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TitleDesign and enantioselective synthesis of 3-( alpha-acrylic acid) benzoxaboroles to combat carbapenemase resistance.
Journal, issue, pagesChem. Commun. (Camb. ), Vol. 57, Page 7709-7712, Year 2021
Publish dateMar 3, 2021 (structure data deposition date)
AuthorsXiao, Y.C. / Chen, X.P. / Deng, J. / Yan, Y.H. / Zhu, K.R. / Li, G. / Yu, J.L. / Brem, J. / Chen, F. / Schofield, C.J. / Li, G.B.
External linksChem. Commun. (Camb. ) / PubMed:34259249
MethodsX-ray diffraction
Resolution2.25 Å
Structure data

PDB-7e9a:
Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acrylic acid (4a-(S))
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-J00:
2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid

ChemComp-ACY:
ACETIC ACID

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE / Beta-lactamase / Serine-beta-lactamase KPC-2 / KPC-2 / Carbapenemase

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