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TitleStructure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
Journal, issue, pagesJ. Biol. Chem., Vol. 290, Page 23916-, Year 2015
Publish dateSep 1, 2014 (structure data deposition date)
AuthorsHargrove, T.Y. / Warwzak, Z. / Lamb, D.C. / Guengerich, F.P. / Lepesheva, G.I.
External linksJ. Biol. Chem. / PubMed:26269599
MethodsX-ray diffraction
Resolution2.55 - 2.81 Å
Structure data

PDB-4uyl:
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with VNI
Method: X-RAY DIFFRACTION / Resolution: 2.81 Å

PDB-4uym:
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with voriconazole
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-VNI:
N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

ChemComp-HOH:
WATER

ChemComp-VOR:
Voriconazole / medication, antifungal*YM

Source
  • aspergillus fumigatus (mold)
KeywordsOXIDOREDUCTASE / CYTOCHROME P450 / MONOOXYGENASE / STEROL BIOSYNTHESIS / EUKARYOTIC MEMBRANES / CYTOCHROME P450 FOLD / ENDOPLASMIC RETICULUM MEMBRANE / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX / HEME

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