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TitleTargeting Class A and C Serine beta-Lactamases with a Broad-Spectrum Boronic Acid Derivative.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 5449-5458, Year 2014
Publish dateJun 26, 2013 (structure data deposition date)
AuthorsTondi, D. / Venturelli, A. / Bonnet, R. / Pozzi, C. / Shoichet, B.K. / Costi, M.P.
External linksJ. Med. Chem. / PubMed:24882105
MethodsX-ray diffraction
Resolution1.5 Å
Structure data

PDB-4len:
CTX-M-9 in complex with the broad spectrum inhibitor 3-(2- carboxyvinyl)benzo(b)thiophene-2-boronic acid
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-2GK:
(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid

ChemComp-HOH:
WATER

Source
  • escherichia coli (E. coli)
Keywordshydrolase/hydrolase inhibitor / Binding Sites / structure base drug design / Drug Discovery / Molecular / Enzyme Inhibitors / beta lactamases / boronic acids / broad spectrum / bacterial resistance / double perturbation cycle analysis / thermodynamics / structure activity relationship / hydrolase-hydrolase inhibitor complex

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