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TitleStructural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
Journal, issue, pagesJ. Biol. Chem., Vol. 285, Page 25582-25590, Year 2010
Publish dateSep 28, 2009 (structure data deposition date)
AuthorsLepesheva, G.I. / Hargrove, T.Y. / Anderson, S. / Kleshchenko, Y. / Furtak, V. / Wawrzak, Z. / Villalta, F. / Waterman, M.R.
External linksJ. Biol. Chem. / PubMed:20530488
MethodsX-ray diffraction
Resolution2.85 - 3.05 Å
Structure data

PDB-3k1o:
Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi in complex with a potential antichagasic drug, posaconazole
Method: X-RAY DIFFRACTION / Resolution: 2.89 Å

PDB-3khm:
Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with inhibitor fluconazole
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-3ksw:
Crystal structure of sterol 14alpha-demethylase (CYP51) from Trypanosoma cruzi in complex with an inhibitor VNF ((4-(4-chlorophenyl)-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]benzamide)
Method: X-RAY DIFFRACTION / Resolution: 3.05 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-POZ:
2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-6-O-{4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenyl}-1-(1H-1,2,4-triazol-1-yl)-D-erythro-hexitol

ChemComp-HOH:
WATER

ChemComp-TPF:
2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL / medication, antifungal*YM

ChemComp-VNF:
4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide

Source
  • trypanosoma cruzi (eukaryote)
KeywordsOXIDOREDUCTASE / sterol 14-alpha demethylase / eburicol 14a-demethylase / CYP51 / cytochrome P450 / heme / monooxygenase / endoplasmic reticulum / transmembrane protein / sterol biosynthesis / lipids / membrane / Iron / heme-thiolate protein / HEME THIOLATE PROTEIN / Lipid synthesis / Metal-binding / NADP / Steroid biosynthesis

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