6UZF
 
 | | Crystal structure of the unliganded bromodomain of human BRD9 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 9, DIMETHYL SULFOXIDE, ... | | 著者 | Karim, M.R, Chan, A, Schonbrunn, E. | | 登録日 | 2019-11-15 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
|
|
6V0U
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to bromosporine | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine | | 著者 | Chan, A, Karim, M.R, 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 (1.4 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
|
|
6V1F
 | | Crystal structure of the bromodomain of human BRD7 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 7 | | 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 Å) | | 主引用文献 | Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
|
|
6VGL
 | | JAK2 JH1 in complex with ruxolitinib | | 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 | 2020-01-08 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.
J.Med.Chem., 64, 2021
|
|
3SPB
 | | Unliganded E. Cloacae MurA | | 分子名称: | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | | 著者 | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | | 登録日 | 2011-07-01 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 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
|
|
3SWA
 | | E. Cloacae MurA R120A complex with UNAG and covalent adduct of PEP with CYS115 | | 分子名称: | 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | | 著者 | Han, H, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2011-07-13 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 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
|
|
3SWD
 | | E. coli MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115 | | 分子名称: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | | 著者 | Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2011-07-13 | | 公開日 | 2012-03-14 | | 最終更新日 | 2023-12-06 | | 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
|
|
3SWI
 | | E. Cloacae MurA in complex with Enolpyruvyl-UDP-N-acetylgalactosamine and covalent adduct of PEP with CYS115 | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid, MAGNESIUM ION, ... | | 著者 | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | | 登録日 | 2011-07-13 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 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
|
|
3SWQ
 | | E. Cloacae MurA in complex with Enolpyruvyl-UNAG | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | | 登録日 | 2011-07-14 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.83 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
|
|
3SU9
 | | E. Cloacae MURA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115 | | 分子名称: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Zhu, J.-Y, Yang, Y, Schonbrunn, E. | | 登録日 | 2011-07-11 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 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
|
|
7JJG
 | |
7JTC
 | |
7JSP
 | | Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738 | | 分子名称: | 1,2-ETHANEDIOL, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, SULFATE ION, ... | | 著者 | Karim, M.R, Schonbrunn, E. | | 登録日 | 2020-08-15 | | 公開日 | 2021-08-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
|
|
7K0D
 | |
7K0U
 | |
7K03
 | |
7K1P
 | |
7K27
 | | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR inhibitor AZ20 | | 分子名称: | 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, DIMETHYL SULFOXIDE, ... | | 著者 | Karim, M.R, Schonbrunn, E. | | 登録日 | 2020-09-08 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
|
|
7K3O
 | |
7K6F
 | | Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid) | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | | 登録日 | 2020-09-20 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
|
|
7K6H
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to XMD8-92 | | 分子名称: | 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | 著者 | Karim, M.R, Zhu, J.Y, Schonbrunn, E. | | 登録日 | 2020-09-20 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
|
|
7K6G
 | | Crystal structure of the first bromodomain (BD1) of human BRD4 bound to ERK5-IN-1 | | 分子名称: | 1,2-ETHANEDIOL, 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | 著者 | Karim, M.R, Zhu, J.Y, Schonbrunn, E. | | 登録日 | 2020-09-20 | | 公開日 | 2021-09-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 64, 2021
|
|
7K42
 | | Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, SULFATE ION, ... | | 著者 | Karim, M.R, Schonbrunn, E. | | 登録日 | 2020-09-14 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
|
|
7JJH
 | |
7K6R
 | |
