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TitleR-Configuration of 4-Aminopyridyl-Based Inhibitors of Cyp51 Confers Superior Efficacy Against Trypanosoma Cruzi
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 5, Page 434-, Year 2014
Publish dateJul 16, 2013 (structure data deposition date)
AuthorsChoi, J.Y. / Calvet, C.M. / Vieira, D.F. / Gunatilleke, S.S. / Cameron, M.D. / Mckerrow, J.H. / Podust, L.M. / Roush, W.R.
External linksAcs Med. Chem. Lett. / PubMed:24900854
MethodsX-ray diffraction
Resolution3.1 Å
Structure data

PDB-4by0:
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-5PS:
(R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide

ChemComp-HOH:
WATER

Source
  • trypanosoma cruzi (eukaryote)
KeywordsOXIDOREDUCTASE / STEROL 14-DEMETHYLASE / STEROL BIOSYNTHESIS / CHAGAS DISEASE

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