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TitleInhibiting the beta-Lactamase of Mycobacterium tuberculosis (Mtb) with Novel Boronic Acid Transition-State Inhibitors (BATSIs).
Journal, issue, pagesACS Infect Dis, Vol. 1, Page 234-242, Year 2015
Publish dateDec 9, 2014 (structure data deposition date)
AuthorsKurz, S.G. / Hazra, S. / Bethel, C.R. / Romagnoli, C. / Caselli, E. / Prati, F. / Blanchard, J.S. / Bonomo, R.A.
External linksACS Infect Dis / PubMed:27622739
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-4x6t:
M.tuberculosis betalactamase complexed with inhibitor EC19
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-3Y6:
3-[(2R)-2-(dihydroxyboranyl)-2-{[(2R)-2-{[(4-ethyl-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}ethyl]benzoic acid

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / beta-lactamase / transition state inhibitor / structure based drug development / beta-lactams / boronates / penicillin binding protein. / HYDROLASE-HYDROLASE INHIBITOR complex

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