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5AJR
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STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE 1-TETRAZOLE DERIVATIVE VT-1161 ((R)-2-(2,4-DIFLUOROPHENYL)-1, 1-DIFLUORO-3-(1H-TETRAZOL-1-YL)-1-(5-(4-(2,2,2-TRIFLUOROETHOXY)PHENYL) PYRIDIN-2-YL)PROPAN-2-OL)
Descriptor:STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol
Authors:Wawrzak, Z., Hoekstra, W., I Lepesheva, G.
Deposit date:2015-02-26
Release date:2015-12-02
Last modified:2016-02-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Clinical Candidate Vt-1161'S Antiparasitic Effect in Vitro, Activity in a Murine Model of Chagas Disease, and Structural Characterization in Complex with the Target Enzyme Cyp51 from Trypanosoma Cruzi.
Antimicrob.Agents Chemother., 60, 2015
4UHI
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HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN C121 SPACE GROUP
Descriptor:STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Authors:Hargrove, T.Y., Wawrzak, Z., I Lepesheva, G.
Deposit date:2015-03-24
Release date:2016-06-08
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
4UHL
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HUMAN STEROL 14-ALPHA DEMETHYLASE (CYP51) IN COMPLEX WITH VFV IN P1 SPACE GROUP
Descriptor:STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Authors:Hargrove, T.Y., Wawrzak, Z., I Lepesheva, G.
Deposit date:2015-03-24
Release date:2016-06-15
Last modified:2016-08-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human Sterol 14Alpha-Demethylase (Cyp51) as a Target for Anticancer Chemotherapy: Towards Structure-Aided Drug Design.
J.Lipid Res., 57, 2016
5TZ1
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CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM CANDIDA ALBICANS IN COMPLEX WITH THE TETRAZOLE-BASED ANTIFUNGAL DRUG CANDIDATE VT1161 (VT1)
Descriptor:Sterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol
Authors:Hargrove, T., Wawrzak, Z., Lepesheva, G.
Deposit date:2016-11-21
Release date:2017-03-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis.
J. Biol. Chem., 292, 2017