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Structure paper

TitleStructural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 1292-1296, Year 2015
Publish dateFeb 1, 2013 (structure data deposition date)
AuthorsMehboob, S. / Song, J. / Hevener, K.E. / Su, P.C. / Boci, T. / Brubaker, L. / Truong, L. / Mistry, T. / Deng, J. / Cook, J.L. ...Mehboob, S. / Song, J. / Hevener, K.E. / Su, P.C. / Boci, T. / Brubaker, L. / Truong, L. / Mistry, T. / Deng, J. / Cook, J.L. / Santarsiero, B.D. / Ghosh, A.K. / Johnson, M.E.
External linksBioorg. Med. Chem. Lett. / PubMed:25677657
MethodsX-ray diffraction
Resolution1.85 - 2.45 Å
Structure data

PDB-4j1n:
Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-4j3f:
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold.
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4j4t:
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
Method: X-RAY DIFFRACTION / Resolution: 2.34 Å

Chemicals

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

ChemComp-1JN:
1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-1JT:
1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole

ChemComp-ACT:
ACETATE ION

ChemComp-NA:
Unknown entry

ChemComp-1JU:
1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole

Source
  • francisella tularensis subsp. tularensis (bacteria)
KeywordsOXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Rossmann fold / Reductase / NADH / reduction / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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