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TitleCrystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 71, Page 1521-1530, Year 2015
Publish dateJul 8, 2015 (structure data deposition date)
AuthorsJordan, C.A. / Sandoval, B.A. / Serobyan, M.V. / Gilling, D.H. / Groziak, M.P. / Xu, H.H. / Vey, J.L.
External linksActa Crystallogr. ,Sect. F / PubMed:26625295
MethodsX-ray diffraction
Resolution1.97 - 2.11 Å
Structure data

PDB-5cfz:
Crystal structure of E. coli FabI in apo form
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-5cg1:
Crystal structure of E. coli FabI bound to the carbamoylated benzodiazaborine inhibitor 14b.
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-5cg2:
Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b.
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-BBN:
1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide

ChemComp-CJ3:
1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide

Source
  • escherichia coli (strain k12) (bacteria)
KeywordsOXIDOREDUCTASE / antibiotics / NAD / enoyl-ACP reductase / Oxidoreducatase / Oxidoreductase/Oxidoreductase Inhibitor / Oxidoreducatase-Oxidoreducatase Inhibitor complex / Oxidoreductase-Oxidoreductase Inhibitor complex

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