3SWI
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![BU of 3swi by Molmil](/molmil-images/mine/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
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3V4T
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![BU of 3v4t by Molmil](/molmil-images/mine/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 | 2023-09-13 | 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
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![BU of 3upk by Molmil](/molmil-images/mine/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 | 2023-09-13 | 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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3SWD
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![BU of 3swd by Molmil](/molmil-images/mine/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
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4O72
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![BU of 4o72 by Molmil](/molmil-images/mine/4o72) | Crystal structure of the first bromodomain of human BRD4 in complex with NU7441 | 分子名称: | 1,2-ETHANEDIOL, 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, Bromodomain-containing protein 4, ... | 著者 | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O70
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![BU of 4o70 by Molmil](/molmil-images/mine/4o70) | Crystal structure of the first bromodomain of human BRD4 in complex with DINACICLIB | 分子名称: | 1,2-ETHANEDIOL, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Bromodomain-containing protein 4 | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O7F
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![BU of 4o7f by Molmil](/molmil-images/mine/4o7f) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-251527 | 分子名称: | 1,2-ETHANEDIOL, 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-(2-methoxyphenoxy)pyrimidine, Bromodomain-containing protein 4, ... | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O7A
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![BU of 4o7a by Molmil](/molmil-images/mine/4o7a) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-409514 | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-chloro-4-hydroxyphenyl)amino]-4-(3-chlorophenyl)-1H-pyrrole-2,5-dione, Bromodomain-containing protein 4 | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O78
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![BU of 4o78 by Molmil](/molmil-images/mine/4o78) | Crystal structure of the first bromodomain of human BRD4 in complex with GW612286X | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | 著者 | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O76
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![BU of 4o76 by Molmil](/molmil-images/mine/4o76) | Crystal structure of the first bromodomain of human BRD4 in complex with TG101209 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide | 著者 | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O77
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![BU of 4o77 by Molmil](/molmil-images/mine/4o77) | Crystal structure of the first bromodomain of human BRD4 in complex with SB 202190 | 分子名称: | 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol, Bromodomain-containing protein 4 | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O71
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![BU of 4o71 by Molmil](/molmil-images/mine/4o71) | Crystal structure of the first bromodomain of human BRD4 in complex with FLAVOPIRIDOL | 分子名称: | 1,2-ETHANEDIOL, 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Bromodomain-containing protein 4 | 著者 | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4PS5
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![BU of 4ps5 by Molmil](/molmil-images/mine/4ps5) | Crystal structure of the first bromodomain of human BRD4 in complex with TG101348 | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Bromodomain-containing protein 4, ... | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2014-03-06 | 公開日 | 2014-03-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O7B
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![BU of 4o7b by Molmil](/molmil-images/mine/4o7b) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-284847-BT | 分子名称: | 1,2-ETHANEDIOL, 2-(2,3-dimethylphenoxy)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidine, Bromodomain-containing protein 4 | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O7C
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![BU of 4o7c by Molmil](/molmil-images/mine/4o7c) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-614067-R | 分子名称: | 1,2-ETHANEDIOL, 4-[(5Z)-5-(1-nitroso-2,3-dihydro-5H-inden-5-ylidene)-2-(piperidin-4-yl)-3,5-dihydro-4H-imidazol-4-ylidene]-1,4-dihydropyridine, Bromodomain-containing protein 4 | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O74
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![BU of 4o74 by Molmil](/molmil-images/mine/4o74) | Crystal structure of the first bromodomain of human BRD4 in complex with BI 2536 | 分子名称: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4, ... | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4O7E
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![BU of 4o7e by Molmil](/molmil-images/mine/4o7e) | Crystal structure of the first bromodomain of human BRD4 in complex with SB-610251-B | 分子名称: | 1,2-ETHANEDIOL, 3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol, Bromodomain-containing protein 4 | 著者 | Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4QMZ
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![BU of 4qmz by Molmil](/molmil-images/mine/4qmz) | MST3 IN COMPLEX WITH SUNITINIB | 分子名称: | CHLORIDE ION, 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, SERINE/THREONINE-PROTEIN KINASE 24 | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2014-06-16 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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4QMN
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![BU of 4qmn by Molmil](/molmil-images/mine/4qmn) | MST3 in complex with BOSUTINIB | 分子名称: | 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Serine/threonine-protein kinase 24 | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2014-06-16 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.091 Å) | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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4QMS
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![BU of 4qms by Molmil](/molmil-images/mine/4qms) | MST3 in complex with DASATINIB | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, ... | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2014-06-16 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.883 Å) | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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4QO9
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![BU of 4qo9 by Molmil](/molmil-images/mine/4qo9) | MST3 IN COMPLEX WITH Danusertib | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2014-06-19 | 公開日 | 2015-07-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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4O75
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![BU of 4o75 by Molmil](/molmil-images/mine/4o75) | Crystal structure of the first bromodomain of human BRD4 in complex with FOSTAMATINIB | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate | 著者 | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | 登録日 | 2013-12-24 | 公開日 | 2014-03-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol., 9, 2014
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4QMP
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![BU of 4qmp by Molmil](/molmil-images/mine/4qmp) | MST3 IN COMPLEX WITH CDK1/2 INHIBITOR III, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE | 分子名称: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Serine/threonine-protein kinase 24 | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2014-06-16 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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4QMX
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![BU of 4qmx by Molmil](/molmil-images/mine/4qmx) | MST3 in complex with SARACATINIB | 分子名称: | N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE, SERINE/THREONINE-PROTEIN KINASE 24 | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2014-06-16 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.882 Å) | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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4QMM
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![BU of 4qmm by Molmil](/molmil-images/mine/4qmm) | MST3 IN COMPLEX WITH AT-9283, 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]-1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL-6-YL)METHYL]MORPHOLIN-4-IUM | 分子名称: | 1,2-ETHANEDIOL, 1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea, ACETATE ION, ... | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2014-06-16 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.852 Å) | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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