6VNK
 
 | | JAK2 JH1 in complex with PN4-073 | | 分子名称: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | | 著者 | Davis, R.R, Schonbrunn, E. | | 登録日 | 2020-01-29 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VS3
 | | JAK2 JH1 in complex with BL2-057 | | 分子名称: | (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | | 著者 | Davis, R.R, Schonbrunn, E. | | 登録日 | 2020-02-10 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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6VSN
 | | JAK2 JH1 in complex with BL2-110 | | 分子名称: | (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, Tyrosine-protein kinase JAK2 | | 著者 | Davis, R.R, Schonbrunn, E. | | 登録日 | 2020-02-11 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
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2PQD
 | | A100G CP4 EPSPS liganded with (R)-difluoromethyl tetrahedral reaction intermediate analog | | 分子名称: | (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase | | 著者 | Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E. | | 登録日 | 2007-05-01 | | 公開日 | 2008-03-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
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2PQB
 | | CP4 EPSPS liganded with (R)-difluoromethyl tetrahedral intermediate analog | | 分子名称: | (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase | | 著者 | Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E. | | 登録日 | 2007-05-01 | | 公開日 | 2008-03-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
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2PQC
 | | CP4 EPSPS liganded with (R)-phosphonate tetrahedral reaction intermediate analog | | 分子名称: | 3-phosphoshikimate 1-carboxyvinyltransferase, [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID | | 著者 | Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E. | | 登録日 | 2007-05-01 | | 公開日 | 2008-03-11 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
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2QDX
 | | P.Aeruginosa Fpr with FAD | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin reductase, SULFATE ION | | 著者 | Han, H, Schonbrunn, E. | | 登録日 | 2007-06-21 | | 公開日 | 2007-10-30 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Biochemical and Structural Characterization of Pseudomonas aeruginosa Bfd and FPR: Ferredoxin NADP(+) Reductase and Not Ferredoxin Is the Redox Partner of Heme Oxygenase under Iron-Starvation Conditions
Biochemistry, 46, 2007
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4E7G
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4E7F
 | | E. cloacae C115D MurA in complex with UDP | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | | 著者 | Zhu, J.-Y, Betzi, S, Yang, Y, Schonbrunn, E. | | 登録日 | 2012-03-16 | | 公開日 | 2013-03-20 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Open-close transition of MurA
To be Published
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4EII
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4E7B
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4E7E
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4E7C
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4E7D
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3V4T
 | | E. cloacae C115D MURA liganded with UNAG | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | | 著者 | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | | 登録日 | 2011-12-15 | | 公開日 | 2012-03-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
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3UPK
 | | E. cloacae MURA in complex with UNAG | | 分子名称: | 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ... | | 著者 | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | | 登録日 | 2011-11-18 | | 公開日 | 2012-03-07 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
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4ERW
 | | CDK2 in complex with staurosporine | | 分子名称: | 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE | | 著者 | Alam, R, Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2012-04-20 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
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4DEE
 | | Aurora A in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION | | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2012-01-20 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
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4DEA
 | | Aurora A in complex with YL1-038-18 | | 分子名称: | 1,2-ETHANEDIOL, 4,4'-(pyrimidine-2,4-diyldiimino)dibenzoic acid, Aurora kinase A | | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2012-01-20 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
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6V16
 | | Crystal structure of the bromodomain of human BRD7 bound to TP472 | | 分子名称: | 1,2-ETHANEDIOL, 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 7, ... | | 著者 | Karim, M.R, Chan, A, Schonbrunn, E. | | 登録日 | 2019-11-19 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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6V0Q
 | | Crystal structure of the bromodomain of human BRD7 bound to TG003 | | 分子名称: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 7, ... | | 著者 | Karim, M.R, Chan, A, Schonbrunn, E. | | 登録日 | 2019-11-19 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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6V1H
 | | Crystal structure of the bromodomain of human BRD7 bound to bromosporine | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 7, Bromosporine | | 著者 | Chan, A, Karim, M.R, Schonbrunn, E. | | 登録日 | 2019-11-20 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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6V1L
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to BI9564 | | 分子名称: | 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 4 | | 著者 | Chan, A, Karim, M.R, Schonbrunn, E. | | 登録日 | 2019-11-20 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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6V0S
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6V0X
 | | Crystal structure of the bromodomain of human BRD9 bound to sunitinib | | 分子名称: | Bromodomain-containing protein 9, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide | | 著者 | Karim, M.R, Chan, A, Zhu, J.Y, Schonbrunn, E. | | 登録日 | 2019-11-19 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
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