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3ZG2
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STEROL 14 ALPHA-DEMETHYLASE (CYP51) FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR (S)-2-(4-CHLOROPHENYL)-2-(PYRIDIN-3-YL)-1- (4-(4-(TRIFLUOROMETHYL)PHENYL)PIPERAZIN-1-YL)ETHANONE (EPL-BS1246,UDO)
Descriptor:STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, (S)-2-(4-chlorophenyl)-2-pyridin-3-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
Authors:Hargrove, T.Y., Wawrzak, Z., Keenan, M., Chatelain, E., Lepesheva, G.I.
Deposit date:2012-12-14
Release date:2013-09-25
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity
J.Biol.Chem., 288, 2013
3ZG3
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STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE PYRIDINE INHIBITOR N-(1-(5-(TRIFLUOROMETHYL)(PYRIDIN-2-YL)) PIPERIDIN-4YL)-N-(4-(TRIFLUOROMETHYL)PHENYL)PYRIDIN-3-AMINE (EPL- BS967, UDD)
Descriptor:STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]pyridin-3-amine
Authors:Hargrove, T.Y., Wawrzak, Z., Keenan, M., Chatelain, E., Lepesheva, G.I.
Deposit date:2012-12-14
Release date:2013-09-25
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Complexes of Trypanosoma Cruzi Sterol 14Alpha-Demethylase (Cyp51) with Two Pyridine-Based Drug Candidates for Chagas Disease: Structural Basis for Pathogen-Selectivity
J.Biol.Chem., 288, 2013
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
4UYL
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CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51B) FROM A PATHOGENIC FILAMENTOUS FUNGUS ASPERGILLUS FUMIGATUS IN COMPLEX WITH VNI
Descriptor:14-ALPHA STEROL DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Authors:Hargrove, T.Y., Wawrzak, Z., Lepesheva, G.I.
Deposit date:2014-09-01
Release date:2015-08-19
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
J.Biol.Chem., 290, 2015
4UYM
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CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51B) FROM A PATHOGENIC FILAMENTOUS FUNGUS ASPERGILLUS FUMIGATUS IN COMPLEX WITH VORICONAZOLE
Descriptor:14-ALPHA STEROL DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
Authors:Hargrove, T.Y., Wawrzak, Z., Lepesheva, G.I.
Deposit date:2014-09-02
Release date:2015-08-19
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Functional Characterization of Cytochrome P450 Sterol Alpha-Demethylase (Cyp51B) from Aspergillus Fumigatus and Molecular Basis for the Development of Antifungal Drugs
J.Biol.Chem., 290, 2015
5FRB
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CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51B) FROM A PATHOGENIC FILAMENTOUS FUNGUS ASPERGILLUS FUMIGATUS IN COMPLEX WITH A TETRAZOLE-BASED INHIBITOR VT-1598
Descriptor:STEROL 14-ALPHA DEMETHYLASE, CYP51B, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Hargrove, T.Y., Wawrzak, Z., Lepesheva, G.I.
Deposit date:2015-12-16
Release date:2017-04-26
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Crystal Structure of the New Investigational Drug Candidate VT-1598 in Complex with Aspergillus fumigatus Sterol 14 alpha-Demethylase Provides Insights into Its Broad-Spectrum Antifungal Activity.
Antimicrob. Agents Chemother., 61, 2017
5FSA
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CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM A PATHOGENIC YEAST CANDIDA ALBICANS IN COMPLEX WITH THE ANTIFUNGAL DRUG POSACONAZOLE
Descriptor:CYP51 VARIANT1, PROTOPORPHYRIN IX CONTAINING FE, POSACONAZOLE
Authors:Hargrove, T.Y., Wawrzak, Z., Friggeri, L., Lepesheva, G.I.
Deposit date:2016-01-02
Release date:2017-03-15
Last modified:2017-05-03
Method:X-RAY DIFFRACTION (2.86 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
6FMO
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CRYSTAL STRUCTURE OF THE SUBSTRATE (OBTUSIFOLIOL)-BOUND AND LIGAND-FREE I105F MUTANT OF STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM TRYPANOSOMA CRUZI
Descriptor:Sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, Obtusifoliol
Authors:Hargrove, T.Y., Wawrzak, Z., Lepesheva, G.I.
Deposit date:2018-02-01
Release date:2018-10-24
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51.
J. Biol. Chem., 293, 2018
3L4D
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CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM LEISHMANIA INFANTUM IN COMPLEX WITH FLUCONAZOLE
Descriptor:Sterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, ...
Authors:Lepesheva, G.I., Hargrove, T.Y., Wawrzak, Z., Waterman, M.R.
Deposit date:2009-12-19
Release date:2009-12-29
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Substrate Preferences and Catalytic Parameters Determined by Structural Characteristics of Sterol 14{alpha}-Demethylase (CYP51) from Leishmania infantum.
J.Biol.Chem., 286, 2011
3P99
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STEROL 14ALPHA-DEMETHYLASE (CYP51) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH DELTA7-14ALPHA-METHYLENE-CYCLOPROPYL-DIHYDROLANOSTEROL
Descriptor:Sterol 14-alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol
Authors:Lepesheva, G.I., Hargrove, T.Y., Waterman, M.R., Wawrzak, Z.
Deposit date:2010-10-16
Release date:2011-11-30
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural complex of sterol 14alpha-demethylase (CYP51) with 14alpha-methylenecyclopropyl-delta7-24, 25-dihydrolanosterol
J.Lipid Res., 53, 2012
4G3J
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STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH THE VNI DERIVATIVE (R)-N-(1-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YL)ETHYL)-4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)BENZAMIDE [R-VNI-TRIAZOLE (VNT)]
Descriptor:sterol 14-alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Authors:Hargrove, T.Y., Wawrzak, Z., Waterman, M.R., Lepesheva, G.I.
Deposit date:2012-07-14
Release date:2013-07-17
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
4G7G
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STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH THE VNI DERIVATIVE (R)-N-(1-(3,4'-DIFLUOROBIPHENYL-4-YL)-2-(1H-IMIDAZOL-1-YL)ETHYL)-4-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)BENZAMIDE [VNI/VNF (VFV)]
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., Waterman, M.R., Lepesheva, G.I.
Deposit date:2012-07-20
Release date:2013-07-24
Last modified:2015-10-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
3G1Q
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CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM TRYPANOSOMA BRUCEI IN LIGAND FREE STATE
Descriptor:Sterol 14-alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lepesheva, G.I., Hargrove, T.Y., Harp, J., Wawrzak, Z., Waterman, M.R., Park, H.
Deposit date:2009-01-30
Release date:2009-10-06
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
3GW9
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CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM TRYPANOSOMA BRUCEI BOUND TO AN INHIBITOR N-(1-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHYL)-4-(5-PHENYL-1,3,4-OXAZIAZOL-2-YL)BENZAMIDE
Descriptor:STEROL 14ALPHA-DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Authors:Lepesheva, G.I., Hargrove, T.Y., Harp, J., Wawrzak, Z., Waterman, M.R.
Deposit date:2009-03-31
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
3K1O
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CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM TRYPANOSOMA CRUZI IN COMPLEX WITH A POTENTIAL ANTICHAGASIC DRUG, POSACONAZOLE
Descriptor:Sterol 14 alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, 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
Authors:Lepesheva, G.I., Hargrove, T.Y., Anderson, S., Wawrzak, Z., Waterman, M.R.
Deposit date:2009-09-28
Release date:2009-10-27
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
3KHM
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CRYSTAL STRUCTURE OF STEROL 14ALPHA-DEMETHYLASE (CYP51) FROM TRYPANOSOMA CRUZI IN COMPLEX WITH INHIBITOR FLUCONAZOLE
Descriptor:Sterol 14 alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
Authors:Lepesheva, G.I., Hargrove, T.Y., Anderson, S., Wawrzak, Z., Waterman, M.R.
Deposit date:2009-10-30
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
3KSW
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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)
Descriptor:Sterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 4'-chloro-N-[(1R)-2-(1H-imidazol-1-yl)-1-phenylethyl]biphenyl-4-carboxamide
Authors:Lepesheva, G.I., Hargrove, T.Y., Anderson, S., Wawrzak, Z., Waterman, M.R.
Deposit date:2009-11-23
Release date:2009-12-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural Insights into Inhibition of Sterol 14{alpha}-Demethylase in the Human Pathogen Trypanosoma cruzi.
J.Biol.Chem., 285, 2010
6CR2
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CRYSTAL STRUCTURE OF STEROL 14-ALPHA DEMETHYLASE (CYP51B) FROM ASPERGILLUS FUMIGATUS IN COMPLEX WITH THE VNI DERIVATIVE N-(1-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHYL)-4-(5-(2-FLUORO-4-(2,2,2-TRIFLUOROETHOXY)PHENYL)-1,3,4-OXADIAZOL-2-YL)BENZAMIDE
Descriptor:14-alpha sterol demethylase Cyp51B, PROTOPORPHYRIN IX CONTAINING FE, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide
Authors:Friggeri, L., Hargrove, T.Y., Wawrzak, Z., Lepesheva, G.I.
Deposit date:2018-03-16
Release date:2018-06-27
Last modified:2018-07-25
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
J. Med. Chem., 61, 2018
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
3TIK
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STEROL 14-ALPHA DEMETHYLASE (CYP51) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH THE TIPIFARNIB DERIVATIVE 6-((4-CHLOROPHENYL)(METHOXY)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL)-4-(2,6-DIFLUOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE
Descriptor:sterol 14-alpha demethylase (CYP51), PROTOPORPHYRIN IX CONTAINING FE, 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one
Authors:Hargrove, T.Y., Wawrzak, Z., Kraus, J.M., Gelb, M.H., Buckner, F.S., Waterman, M.R., Lepesheva, G.I.
Deposit date:2011-08-20
Release date:2012-07-11
Last modified:2012-09-05
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib.
Antimicrob.Agents Chemother., 56, 2012
4CK8
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STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (R)-1-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHYL 4-(4-(3,4- DICHLOROPHENYL)PIPERAZIN-1-YL)PHENYLCARBAMATE (LFD)
Descriptor:STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate
Authors:Friggeri, L., Wawrzak, Z., Tortorella, S., Lepesheva, G.I.
Deposit date:2013-12-30
Release date:2014-07-30
Last modified:2014-08-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
4CK9
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STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-CHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHYL 4- ISOPROPYLPHENYLCARBAMATE (LFT)
Descriptor:STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate
Authors:Friggeri, L., Wawrzak, Z., Tortorella, S., Lepesheva, G.I.
Deposit date:2013-12-31
Release date:2014-07-30
Last modified:2014-08-27
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
4CKA
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STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH (S)-1-(4-FLUOROPHENYL)-2-(1H-IMIDAZOL-1-YL)ETHYL 4- ISOPROPYLPHENYLCARBAMATE (LFS)
Descriptor:STEROL 14-ALPHA DEMETHYLASE, PROTOPORPHYRIN IX CONTAINING FE, (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate
Authors:Friggeri, L., Wawrzak, Z., Tortorella, S., Lepesheva, G.I.
Deposit date:2013-12-31
Release date:2014-07-30
Last modified:2014-08-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Rational Design of Inhibitors Targeting Trypanosoma Cruzi Sterol 14Alpha-Demethylase: Two Regions of the Enzyme Molecule Potentiate its Inhibition.
J.Med.Chem., 57, 2014
4H6O
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STEROL 14-ALPHA DEMETHYLASE (CYP51)FROM TRYPANOSOMA CRUZI IN COMPLEX WITH THE INHIBITOR NEU321 (1-(3-(4-CHLORO-3,5-DIMETHYLPHENOXY)BENZYL)-1H-IMIDAZOLE
Descriptor:Sterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole
Authors:Wawrzak, Z., Hargrove, T.Y., Pollastri, M.P., Lepesheva, G.I.
Deposit date:2012-09-19
Release date:2013-03-20
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.
J.Med.Chem., 56, 2013
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