Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
6AY4
DownloadVisualize
BU of 6ay4 by Molmil
Naegleria fowleri CYP51-fluconazole complex
分子名称: 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, CYP51, ...
著者Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
登録日2017-09-07
公開日2017-11-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
6AY6
DownloadVisualize
BU of 6ay6 by Molmil
Naegleria fowleri CYP51-voriconazole complex
分子名称: CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
登録日2017-09-07
公開日2017-11-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
6AYB
DownloadVisualize
BU of 6ayb by Molmil
Naegleria fowleri CYP51-ketoconazole complex
分子名称: 1,2-ETHANEDIOL, 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, CALCIUM ION, ...
著者Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
登録日2017-09-08
公開日2017-11-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
6AYC
DownloadVisualize
BU of 6ayc by Molmil
Naegleria fowleri CYP51-itraconazole complex
分子名称: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51
著者Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M.
登録日2017-09-08
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM).
PLoS Negl Trop Dis, 11, 2017
7RTQ
DownloadVisualize
BU of 7rtq by Molmil
Sterol 14alpha demethylase (CYP51) from Naegleria fowleri in complex with an inhibitor R)-N-(1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
分子名称: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, Protein CYP51
著者Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z.
登録日2021-08-13
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Relaxed Substrate Requirements of Sterol 14 alpha-Demethylase from Naegleria fowleri Are Accompanied by Resistance to Inhibition.
J.Med.Chem., 64, 2021
6MCW
DownloadVisualize
BU of 6mcw by Molmil
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, complex with the detergent Anapoe-X-114
分子名称: 23-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21-heptaoxatricosan-1-ol, Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I.
登録日2018-09-02
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
6MI0
DownloadVisualize
BU of 6mi0 by Molmil
Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, ligand-free state
分子名称: Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE
著者Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I.
登録日2018-09-18
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases.
Mol.Biol.Evol., 2020
6FMO
DownloadVisualize
BU of 6fmo by Molmil
Crystal structure of the substrate (obtusifoliol)-bound and ligand-free I105F mutant of sterol 14-alpha demethylase (CYP51) from Trypanosoma cruzi
分子名称: Obtusifoliol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14alpha-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2018-02-01
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Binding of a physiological substrate causes large-scale conformational reorganization in cytochrome P450 51.
J. Biol. Chem., 293, 2018
6CR2
DownloadVisualize
BU of 6cr2 by Molmil
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
分子名称: 14-alpha sterol demethylase Cyp51B, 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, PROTOPORPHYRIN IX CONTAINING FE
著者Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2018-03-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献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
3L4D
DownloadVisualize
BU of 3l4d by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Leishmania infantum in complex with fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lepesheva, G.I, Hargrove, T.Y, Wawrzak, Z, Waterman, M.R.
登録日2009-12-19
公開日2009-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Substrate Preferences and Catalytic Parameters Determined by Structural Characteristics of Sterol 14{alpha}-Demethylase (CYP51) from Leishmania infantum.
J.Biol.Chem., 286, 2011
3P99
DownloadVisualize
BU of 3p99 by Molmil
Sterol 14alpha-demethylase (CYP51) from Trypanosoma brucei in complex with delta7-14alpha-methylene-cyclopropyl-dihydrolanosterol
分子名称: (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase
著者Lepesheva, G.I, Hargrove, T.Y, Waterman, M.R, Wawrzak, Z.
登録日2010-10-16
公開日2011-11-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural complex of sterol 14alpha-demethylase (CYP51) with 14alpha-methylenecyclopropyl-delta7-24, 25-dihydrolanosterol
J.Lipid Res., 53, 2012
4S14
DownloadVisualize
BU of 4s14 by Molmil
Crystal structure of the orphan nuclear receptor RORgamma ligand-binding domain in complex with 4alpha-caboxyl, 4beta-methyl-zymosterol (4ACD8)
分子名称: (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid, Nuclear receptor ROR-gamma, Nuclear receptor-interacting protein 1
著者Huang, P, Santori, F.R, Littman, D.R, Rastinejad, F.
登録日2015-01-07
公開日2015-02-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.542 Å)
主引用文献Identification of Natural ROR gamma Ligands that Regulate the Development of Lymphoid Cells.
Cell Metab, 21, 2015
4S15
DownloadVisualize
BU of 4s15 by Molmil
Crystal structure of the orphan nuclear receptor RORalpha ligand-binding domain in complex with 4alpha-caboxyl, 4beta-methyl-zymosterol (4ACD8)
分子名称: (3beta,4alpha,5beta,14beta)-3-hydroxy-4-methylcholesta-8,24-diene-4-carboxylic acid, GLYCEROL, Nuclear receptor ROR-alpha, ...
著者Huang, P, Santori, F.R, Littman, D.R, Rastinejad, F.
登録日2015-01-08
公開日2015-02-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Identification of Natural ROR gamma Ligands that Regulate the Development of Lymphoid Cells.
Cell Metab, 21, 2015
3G1Q
DownloadVisualize
BU of 3g1q by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in ligand free state
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha-demethylase
著者Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R, Park, H.
登録日2009-01-30
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
3GW9
DownloadVisualize
BU of 3gw9 by Molmil
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
分子名称: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14ALPHA-DEMETHYLASE
著者Lepesheva, G.I, Hargrove, T.Y, Harp, J, Wawrzak, Z, Waterman, M.R.
登録日2009-03-31
公開日2009-11-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structures of Trypanosoma brucei sterol 14alpha-demethylase and implications for selective treatment of human infections.
J.Biol.Chem., 285, 2010
4G7G
DownloadVisualize
BU of 4g7g by Molmil
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)]
分子名称: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I.
登録日2012-07-20
公開日2013-07-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
4G3J
DownloadVisualize
BU of 4g3j by Molmil
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)]
分子名称: 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, PROTOPORPHYRIN IX CONTAINING FE, sterol 14-alpha-demethylase
著者Hargrove, T.Y, Wawrzak, Z, Waterman, M.R, Lepesheva, G.I.
登録日2012-07-14
公開日2013-07-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献VFV as a New Effective CYP51 Structure-Derived Drug Candidate for Chagas Disease and Visceral Leishmaniasis.
J Infect Dis, 212, 2015
8P5N
DownloadVisualize
BU of 8p5n by Molmil
Arsenate reductase (ArsC2) from Deinococcus indicus, co-crystallized with arsenate
分子名称: ARSENATE, GLYCEROL, Low molecular weight phosphatase family protein
著者Gouveia, A.G, Matias, P.M, Romao, C.V.
登録日2023-05-24
公開日2023-08-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Unraveling the multifaceted resilience of arsenic resistant bacterium Deinococcus indicus .
Front Microbiol, 14, 2023
8P6M
DownloadVisualize
BU of 8p6m by Molmil
Arsenate reductase (ArsC2) from Deinococcus indicus
分子名称: Low molecular weight phosphatase family protein
著者Gouveia, A.G, Matias, P.M, Romao, C.V.
登録日2023-05-26
公開日2023-08-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Unraveling the multifaceted resilience of arsenic resistant bacterium Deinococcus indicus .
Front Microbiol, 14, 2023

227111

件を2024-11-06に公開中

PDB statisticsPDBj update infoContact PDBjnumon