4BIE
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![BU of 4bie by Molmil](/molmil-images/mine/4bie) | Crystal Structures of Ask1-inhibitor Complexes | 分子名称: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl}thiophene-2-sulfonamide | 著者 | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | 登録日 | 2013-04-10 | 公開日 | 2013-07-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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4BHN
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![BU of 4bhn by Molmil](/molmil-images/mine/4bhn) | Crystal Structures of Ask1-inhibitor Complexes | 分子名称: | 4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5 | 著者 | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | 登録日 | 2013-04-04 | 公開日 | 2013-07-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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4BIB
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![BU of 4bib by Molmil](/molmil-images/mine/4bib) | Crystal Structures of Ask1-inhibitor Complexes | 分子名称: | 3-cyano-4-(piperidin-4-yloxy)-1H-indole-7-carboxamide, ACETATE ION, GLYCEROL, ... | 著者 | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | 登録日 | 2013-04-10 | 公開日 | 2013-07-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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4BID
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![BU of 4bid by Molmil](/molmil-images/mine/4bid) | Crystal Structures of Ask1-inhibitor Complexes | 分子名称: | 5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine, ACETATE ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5 | 著者 | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | 登録日 | 2013-04-10 | 公開日 | 2013-07-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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4BIC
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![BU of 4bic by Molmil](/molmil-images/mine/4bic) | Crystal Structures of Ask1-inhibitor Complexes | 分子名称: | GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, N-(2-aminoethyl)-5-{1H-pyrrolo[2,3-b]pyridin-3-yl}thiophene-2-sulfonamide | 著者 | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | 登録日 | 2013-04-10 | 公開日 | 2013-07-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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4BF2
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![BU of 4bf2 by Molmil](/molmil-images/mine/4bf2) | Crystal Structures of Ask1-inhibitor Complexes | 分子名称: | ACETATE ION, GLYCEROL, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE 5, ... | 著者 | Singh, O, Shillings, A, Craggs, P, Wall, I, Rowland, P, Skarzynski, T, Hobbs, C.I, Hardwick, P, Tanner, R, Blunt, M, Witty, D.R, Smith, K.J. | 登録日 | 2013-03-13 | 公開日 | 2013-07-03 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Crystal Structures of Ask1-Inhibtor Complexes Provide a Platform for Structure Based Drug Design. Protein Sci., 22, 2013
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4UYD
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![BU of 4uyd by Molmil](/molmil-images/mine/4uyd) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, BROMODOMAIN-CONTAINING PROTEIN 4, ... | 著者 | Chung, C, Bamborough, P, Demont, E. | 登録日 | 2014-08-30 | 公開日 | 2014-09-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | 1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain. Acs Med.Chem.Lett., 5, 2014
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4UYE
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![BU of 4uye by Molmil](/molmil-images/mine/4uye) | BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-2-oxo-6-(piperidin-1- yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl-2-methoxybenzamide | 分子名称: | 1,2-ETHANEDIOL, N-[1,3-dimethyl-2-oxo-6-(piperidin-1-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-2-methoxybenzamide, PEREGRIN | 著者 | Chung, C, Bamborough, P, Demont, E. | 登録日 | 2014-08-30 | 公開日 | 2014-09-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | 1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain. Acs Med.Chem.Lett., 5, 2014
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5BWX
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![BU of 5bwx by Molmil](/molmil-images/mine/5bwx) | |
5BWR
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![BU of 5bwr by Molmil](/molmil-images/mine/5bwr) | |
5BWW
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![BU of 5bww by Molmil](/molmil-images/mine/5bww) | |
5BWU
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![BU of 5bwu by Molmil](/molmil-images/mine/5bwu) | X-RAY CRYSTAL STRUCTURE AT 2.17A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TRIAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | 分子名称: | 1,2-ETHANEDIOL, 2-[(4-bromobenzyl)amino]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Branched-chain-amino-acid aminotransferase, ... | 著者 | Somers, D.O. | 登録日 | 2015-06-08 | 公開日 | 2015-07-01 | 最終更新日 | 2019-06-12 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits. J.Med.Chem., 58, 2015
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5BWV
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![BU of 5bwv by Molmil](/molmil-images/mine/5bwv) | |
5BWT
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![BU of 5bwt by Molmil](/molmil-images/mine/5bwt) | |
5NAB
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![BU of 5nab by Molmil](/molmil-images/mine/5nab) | |
5NAH
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![BU of 5nah by Molmil](/molmil-images/mine/5nah) | |
5NAE
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![BU of 5nae by Molmil](/molmil-images/mine/5nae) | |
5NAG
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![BU of 5nag by Molmil](/molmil-images/mine/5nag) | |
5NA5
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![BU of 5na5 by Molmil](/molmil-images/mine/5na5) | |
5NAK
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![BU of 5nak by Molmil](/molmil-images/mine/5nak) | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with the enzyme substrate L-kynurenine | 分子名称: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Taylor, M, Mowat, C.G, Rowland, P. | 登録日 | 2017-02-28 | 公開日 | 2017-06-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural and mechanistic basis of differentiated inhibitors of the acute pancreatitis target kynurenine-3-monooxygenase. Nat Commun, 8, 2017
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3SRV
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![BU of 3srv by Molmil](/molmil-images/mine/3srv) | Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor | 分子名称: | 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide, GLYCEROL, Tyrosine-protein kinase SYK | 著者 | Somers, D.O, Neu, M. | 登録日 | 2011-07-07 | 公開日 | 2011-09-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
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5G4R
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![BU of 5g4r by Molmil](/molmil-images/mine/5g4r) | |
5G4S
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![BU of 5g4s by Molmil](/molmil-images/mine/5g4s) | BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-dimethyl-6-2R-2- methylpiperazin-1-yl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl-N- ethyl-2-methoxybenzamide | 分子名称: | 1,2-ETHANEDIOL, N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-N-ethyl-2-methoxy-benzamide, PEREGRIN | 著者 | Chung, C. | 登録日 | 2016-05-16 | 公開日 | 2016-07-06 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Gsk6853, a Chemical Probe for Inhibition of the Brpf1 Bromodomain. Acs Med.Chem.Lett., 7, 2016
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4YJP
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![BU of 4yjp by Molmil](/molmil-images/mine/4yjp) | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000223 | 分子名称: | 2-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]ethanol, DIMETHYL SULFOXIDE, Tyrosine-protein kinase SYK | 著者 | Somers, D.O, Neu, M. | 登録日 | 2015-03-03 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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4YJU
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![BU of 4yju by Molmil](/molmil-images/mine/4yju) | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000249 | 分子名称: | N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine, Tyrosine-protein kinase SYK | 著者 | Somers, D.O, Neu, M, Stuckey, J. | 登録日 | 2015-03-03 | 公開日 | 2015-09-30 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg. Med. Chem. Lett., 21, 2011
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