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2VX1
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BU of 2vx1 by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE, EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
Deposit date:2008-06-30
Release date:2008-10-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
2X9F
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BU of 2x9f by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYLSULFONYL)PHENYL]PYRIMIDINE-2,4-DIAMINE
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D.
Deposit date:2010-03-17
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibitors of the Tyrosine Kinase Ephb4. Part 3: Identification of Non-Benzodioxole-Based Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7TP5
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BU of 7tp5 by Molmil
The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid
Descriptor: 4-(ethylsulfanyl)benzoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-25
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
7TP6
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BU of 7tp6 by Molmil
The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid
Descriptor: 4-methylsulfanylbenzoic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-25
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.655 Å)
Cite: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
Descriptor: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M, Bell, S.G.
Deposit date:2022-01-26
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.438 Å)
Cite:Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
7TRT
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BU of 7trt by Molmil
The crystal structure of CYP199A4 bound to 4-(furan-2-yl)benzoic acid
Descriptor: 4-(furan-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-01-30
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The Oxidation of Oxygen and Sulfur-Containing Heterocycles by Cytochrome P450 Enzymes.
Chemistry, 29, 2023
7TRU
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BU of 7tru by Molmil
The crystal structure of WT CYP199A4 bound to 4-(thiophen-2-yl)benzoic acid
Descriptor: 4-(thiophen-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-01-31
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:The Oxidation of Oxygen and Sulfur-Containing Heterocycles by Cytochrome P450 Enzymes.
Chemistry, 29, 2023
2VX0
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BU of 2vx0 by Molmil
ephB4 kinase domain inhibitor complex
Descriptor: EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE
Authors:Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G.
Deposit date:2008-06-30
Release date:2008-10-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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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220113

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