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6PQW
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BU of 6pqw by Molmil
The crystal structure of 3-methylbenzoate-bound CYP199A4
分子名称: 3-methylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Podgorski, M.N, Bruning, J.B, Bell, S.G.
登録日2019-07-10
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献Investigation of the requirements for efficient and selective cytochrome P450 monooxygenase catalysis across different reactions.
J.Inorg.Biochem., 203, 2019
7TP6
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BU of 7tp6 by Molmil
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
7TQM
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BU of 7tqm by Molmil
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
7TP5
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BU of 7tp5 by Molmil
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
7TRU
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BU of 7tru by Molmil
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
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
2XVD
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BU of 2xvd by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, {4-METHYL-3-[(1-METHYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L.
登録日2010-10-25
公開日2011-06-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 4: Discovery and Optimization of a Benzylic Alcohol Series.
Bioorg.Med.Chem.Lett., 21, 2011
2VX0
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BU of 2vx0 by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE
著者Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
登録日2008-06-30
公開日2008-10-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
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