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PDB: 1370 件
4D78
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Cytochrome P450 3A4 bound to an inhibitor
分子名称: CYTOCHROME P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Sevrioukova, I, Poulos, T.
登録日2014-11-21
公開日2015-09-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Inhibitor Design for Evaluation of a Cyp3A4 Pharmacophore Model.
J.Med.Chem., 59, 2016
4EGN
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BU of 4egn by Molmil
The X-ray crystal structure of CYP199A4 in complex with veratric acid
分子名称: 3,4-dimethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L.
登録日2012-03-31
公開日2013-02-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering
Chemistry, 18, 2012
4EJG
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Human Cytochrome P450 2A13 in complex with Nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450 2A13, GLYCEROL, ...
著者DeVore, N.M, Scott, E.E.
登録日2012-04-06
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Nicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone binding and access channel in human cytochrome P450 2A6 and 2A13 enzymes.
J.Biol.Chem., 287, 2012
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)
分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
登録日2013-12-31
公開日2014-07-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
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)
分子名称: (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
登録日2013-12-30
公開日2014-07-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献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)
分子名称: (1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Friggeri, L, Wawrzak, Z, Tortorella, S, Lepesheva, G.I.
登録日2013-12-31
公開日2014-07-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献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
4C9M
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Structure of substrate free, glycerol bound wild type CYP101D1
分子名称: CYTOCHROME P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4BY0
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Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide
分子名称: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Choi, J.Y, Calvet, C.M, Vierira, D.F, Gunatilleke, S.S, Cameron, M.D, McKerrow, J.H, Podust, L.M, Roush, W.R.
登録日2013-07-16
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献R-Configuration of 4-Aminopyridyl-Based Inhibitors of Cyp51 Confers Superior Efficacy Against Trypanosoma Cruzi
Acs Med.Chem.Lett., 5, 2014
4C0C
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BU of 4c0c by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
分子名称: 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2013-08-01
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
4C9K
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Structure of Camphor and Hydroxycamphor bound wild type CYP101D1
分子名称: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ...
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants.
Biochemistry, 52, 2013
4C9O
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Structure of Cyanide and Camphor bound D259N mutant of CYP101D1
分子名称: CAMPHOR, CYANIDE ION, CYTOCHROME P450, ...
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.977 Å)
主引用文献Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants.
Biochemistry, 52, 2013
4C9N
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Structure of camphor and hydroxycamphor bound D259N mutant of CYP101D1
分子名称: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ...
著者Batabyal, D, L Poulos, T.
登録日2013-10-02
公開日2013-12-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4FB2
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BU of 4fb2 by Molmil
Crystal Structure of Substrate-Free P450cin
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, P450cin, ...
著者Madrona, Y, Tripathi, S.M, Li, H, Poulos, T.L.
登録日2012-05-22
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structures of substrate-free and nitrosyl cytochrome p450cin: implications for o(2) activation.
Biochemistry, 51, 2012
7TND
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BU of 7tnd by Molmil
The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid
分子名称: 4-phenoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-20
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.825 Å)
主引用文献Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7TP6
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The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid
分子名称: 4-methylsulfanylbenzoic acid, ACETATE ION, CHLORIDE ION, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-25
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
7TNF
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The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid
分子名称: CHLORIDE ION, Cytochrome P450, MAGNESIUM ION, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-21
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.539 Å)
主引用文献Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7TNU
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The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid
分子名称: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-21
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.584 Å)
主引用文献Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
7TP5
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The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid
分子名称: 4-(ethylsulfanyl)benzoic acid, ACETATE ION, CHLORIDE ION, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-25
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
7TQM
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The crystal structure of D251N CYP199A4 bound to 4-methylthiobenzoic acid
分子名称: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M, Bell, S.G.
登録日2022-01-26
公開日2023-01-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.438 Å)
主引用文献Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
7U00
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The crystal structure of WT CYP199A4 bound to 4-(2-chloroethyl)benzoic acid
分子名称: 4-(2-chloroethyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-02-17
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.657 Å)
主引用文献Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7TZM
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The crystal structure of WT CYP199A4 bound to 4-iodobenzoic acid
分子名称: 4-iodobenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-02-16
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.524 Å)
主引用文献Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7TZY
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The crystal structure of WT CYP199A4 bound to 4-(2-bromoethyl)benzoic acid
分子名称: 4-(2-bromoethyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-02-16
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
7TRT
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BU of 7trt by Molmil
The crystal structure of CYP199A4 bound to 4-(furan-2-yl)benzoic acid
分子名称: 4-(furan-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-01-30
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The Oxidation of Oxygen and Sulfur-Containing Heterocycles by Cytochrome P450 Enzymes.
Chemistry, 29, 2023
7TRU
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The crystal structure of WT CYP199A4 bound to 4-(thiophen-2-yl)benzoic acid
分子名称: 4-(thiophen-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-01-31
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.454 Å)
主引用文献The Oxidation of Oxygen and Sulfur-Containing Heterocycles by Cytochrome P450 Enzymes.
Chemistry, 29, 2023
7TZN
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The crystal structure of WT CYP199A4 bound to 4-fluorobenzoic acid
分子名称: 4-fluorobenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bell, S.G.
登録日2022-02-16
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023

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