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5KDB
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THE CRYSTAL STRUCTURE OF 4-ISOPROPYLBENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-propan-2-ylbenzoic acid, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2016-06-07
Release date:2018-02-07
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:The crystal structure of 4-isopropylbenzoate-bound CYP199A4
To Be Published
5KDY
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THE CRYSTAL STRUCTURE OF THE D251N MUTANT OF CYP199A4 IN COMPLEX WITH 4-METHOXYBENZOATE
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-METHOXYBENZOIC ACID, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2016-06-08
Release date:2018-02-07
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:The crystal structure of the D251N mutant of CYP199A4 in complex with 4-methoxybenzoate
To Be Published
5KDZ
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THE CRYSTAL STRUCTURE OF THE T252A MUTANT OF CYP199A4 IN COMPLEX WITH 4-METHOXYBENZOATE
Descriptor:Cytochrome P450, 4-METHOXYBENZOIC ACID, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2016-06-08
Release date:2018-02-07
Method:X-RAY DIFFRACTION (1.424 Å)
Cite:The crystal structure of the T252A mutant of CYP199A4 in complex with 4-methoxybenzoate
To Be Published
5KT1
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THE CRYSTAL STRUCTURE OF 4-METHYLTHIOBENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, 4-methylsulfanylbenzoic acid, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2016-07-11
Release date:2018-01-17
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:The crystal structure of 4-methylthiobenzoate-bound CYP199A4
To Be Published
5U6T
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THE CRYSTAL STRUCTURE OF 4-ETHOXYBENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-ethoxybenzoic acid, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2016-12-08
Release date:2018-06-13
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.935 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
5U6U
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THE CRYSTAL STRUCTURE OF 4-ETHYLTHIOBENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-(ethylsulfanyl)benzoic acid, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2016-12-08
Release date:2018-06-13
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
5U6W
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THE CRYSTAL STRUCTURE OF 4-METHYLAMINOBENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-(methylamino)benzoic acid, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2016-12-09
Release date:2018-06-13
Last modified:2018-12-26
Method:X-RAY DIFFRACTION (2.644 Å)
Cite:Cytochrome P450 CYP199A4 from Rhodopseudomonas palustris Catalyzes Heteroatom Dealkylations, Sulfoxidation, and Amide and Cyclic Hemiacetal Formation
Acs Catalysis, 8, 2018
5UVB
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THE CRYSTAL STRUCTURE OF 4-CYCLOPROPYLBENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2017-02-20
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The crystal structure of 4-cyclopropylbenzoate-bound CYP199A4
To Be Published
6C2D
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THE CRYSTAL STRUCTURE OF 4-CYCLOHEXYLBENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2018-01-08
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The crystal structure of 4-cyclohexylbenzoate-bound CYP199A4
To Be Published
6C3H
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THE CRYSTAL STRUCTURE OF 4-N-HEPTYLBENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-heptylbenzoic acid, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2018-01-09
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:The crystal structure of 4-n-heptylbenzoate-bound CYP199A4
To Be Published
6C3J
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THE CRYSTAL STRUCTURE OF 4-(THIOPHEN-3-YL)BENZOATE-BOUND CYP199A4
Descriptor:Cytochrome P450, 4-(thiophen-3-yl)benzoic acid, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Coleman, T., Bruning, J.B., Bell, S.G.
Deposit date:2018-01-09
Release date:2019-01-16
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4
To Be Published
5YQA
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THE CRYSTAL STRUCTURE OF CYP199A4 BINDING WITH 4-N-PROPYL BENZOIC ACID
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-propylbenzoic acid, ...
Authors:Zhou, W., Zhang, T., Qiao, R., Bell, S., Coleman, T.
Deposit date:2017-11-06
Release date:2019-02-27
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
To Be Published
5YQH
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THE CRYSTAL STRUCTURE OF CYP199A4 BINDING WITH 4-N-PROPYL BENZOIC ACID
Descriptor:Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, 4-methoxybenzamide, ...
Authors:Zhou, W., Zhang, T., Qiao, R., Bell, S., Coleman, T.
Deposit date:2017-11-06
Release date:2019-02-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic acid
To Be Published
2VWX
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, 3-({4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl}amino)benzenesulfonamide, 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:2008-06-27
Release date:2008-10-28
Last modified:2017-06-28
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
2VWY
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N'-(5-chloro-1,3-benzodioxol-4-yl)-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine, 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:2017-06-28
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
2VWZ
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE, 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:2017-06-28
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
2VX1
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE, 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:2017-06-28
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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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N^4^-1H-INDAZOL-4-YL-N^2^-[3-(METHYLSULFONYL)PHENYL]PYRIMIDINE-2,4-DIAMINE, MAGNESIUM ION
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:2018-04-04
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
2XVD
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, {4-METHYL-3-[(1-METHYLETHYL)(2-{[3-(METHYLSULFONYL)-5-MORPHOLIN-4-YLPHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENYL}METHANOL, MAGNESIUM ION
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L.
Deposit date:2010-10-25
Release date:2011-06-08
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE, 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:2017-06-28
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