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TitleDesign and exploration of novel boronic acid inhibitors reveals important interactions with a clavulanic acid-resistant sulfhydryl-variable (SHV) beta-lactamase.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 1084-1097, Year 2013
Publish dateMay 24, 2012 (structure data deposition date)
AuthorsWinkler, M.L. / Rodkey, E.A. / Taracila, M.A. / Drawz, S.M. / Bethel, C.R. / Papp-Wallace, K.M. / Smith, K.M. / Xu, Y. / Dwulit-Smith, J.R. / Romagnoli, C. ...Winkler, M.L. / Rodkey, E.A. / Taracila, M.A. / Drawz, S.M. / Bethel, C.R. / Papp-Wallace, K.M. / Smith, K.M. / Xu, Y. / Dwulit-Smith, J.R. / Romagnoli, C. / Caselli, E. / Prati, F. / van den Akker, F. / Bonomo, R.A.
External linksJ. Med. Chem. / PubMed:23252553
MethodsX-ray diffraction
Resolution1.09 Å
Structure data

PDB-4fcf:
K234R: apo structure of inhibitor resistant beta-lactamase
Method: X-RAY DIFFRACTION / Resolution: 1.09 Å

Chemicals

ChemComp-MA4:
CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE

ChemComp-TAU:
2-AMINOETHANESULFONIC ACID

ChemComp-HOH:
WATER

Source
  • klebsiella pneumoniae (bacteria)
Keywordshydrolase/hydrolase inhibitor / class A beta-lactamse / hydrolase-hydrolase inhibitor complex

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