1OIQ
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![BU of 1oiq by Molmil](/molmil-images/mine/1oiq) | Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | 分子名称: | CELL DIVISION PROTEIN KINASE 2, N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE | 著者 | Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J. | 登録日 | 2003-06-24 | 公開日 | 2003-09-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation Bioorg.Med.Chem.Lett., 13, 2003
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1OIR
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![BU of 1oir by Molmil](/molmil-images/mine/1oir) | Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | 分子名称: | 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | 著者 | Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J. | 登録日 | 2003-06-24 | 公開日 | 2003-09-04 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation Bioorg.Med.Chem.Lett., 13, 2003
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2YIW
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![BU of 2yiw by Molmil](/molmil-images/mine/2yiw) | triazolopyridine inhibitors of p38 kinase | 分子名称: | 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefamiak, M.H, Yeadon, M. | 登録日 | 2011-05-17 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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6HCW
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![BU of 6hcw by Molmil](/molmil-images/mine/6hcw) | Crystal Structure of Lysyl-tRNA Synthetase from Cryptosporidium parvum complexed with L-lysine and a difluoro cyclohexyl chromone ligand | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, LYSINE, Lysine--tRNA ligase, ... | 著者 | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | 登録日 | 2018-08-16 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HCV
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![BU of 6hcv by Molmil](/molmil-images/mine/6hcv) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with a chromone ligand | 分子名称: | 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide, Lysine--tRNA ligase | 著者 | Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | 登録日 | 2018-08-16 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HCU
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![BU of 6hcu by Molmil](/molmil-images/mine/6hcu) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum bound to a difluoro cyclohexyl chromone ligand | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, HISTIDINE, ... | 著者 | Tamjar, J, Robinson, D.A, Baragana, B, Norcross, N, Forte, B, Walpole, C, Gilbert, I.H. | 登録日 | 2018-08-16 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc.Natl.Acad.Sci.USA, 116, 2019
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4UWB
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![BU of 4uwb by Molmil](/molmil-images/mine/4uwb) | Fibroblast growth factor receptor 1 kinase in complex with JK-P5 | 分子名称: | 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1, N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide, ... | 著者 | Beeston, H, Tucker, J, Kankanala, J. | 登録日 | 2014-08-11 | 公開日 | 2015-09-02 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase. Rapid Commun Mass Spectrom, 2021
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4UWC
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![BU of 4uwc by Molmil](/molmil-images/mine/4uwc) | Fibroblast growth factor receptor 1 kinase in complex with JK-P3 | 分子名称: | 1,2-ETHANEDIOL, 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ... | 著者 | Beeston, H, Tucker, J, Kankanala, J. | 登録日 | 2014-08-11 | 公開日 | 2015-09-02 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase. Rapid Commun Mass Spectrom, 2021
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3O1G
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![BU of 3o1g by Molmil](/molmil-images/mine/3o1g) | |
3O0U
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![BU of 3o0u by Molmil](/molmil-images/mine/3o0u) | |
6AGT
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![BU of 6agt by Molmil](/molmil-images/mine/6agt) | Crystal structure of PfKRS complexed with chromone inhibitor | 分子名称: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | 著者 | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | 登録日 | 2018-08-14 | 公開日 | 2019-03-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.953 Å) | 主引用文献 | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5ELO
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![BU of 5elo by Molmil](/molmil-images/mine/5elo) | |
5ELN
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![BU of 5eln by Molmil](/molmil-images/mine/5eln) | |
2YIX
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![BU of 2yix by Molmil](/molmil-images/mine/2yix) | Triazolopyridine Inhibitors of p38 | 分子名称: | 1-ethyl-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Han, s, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthawaite, R.A, Mahke, A, Marr, E, Mathias, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniak, M.H, Yeadon, M. | 登録日 | 2011-05-17 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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2YIS
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![BU of 2yis by Molmil](/molmil-images/mine/2yis) | triazolopyridine inhibitors of p38 kinase. | 分子名称: | 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)-1H-pyrazol-5-yl]-3-{2-[(3-{2-[(2-hydroxyethyl)sulfanyl]phenyl}[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]benzyl}urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, MITOGEN-ACTIVATED PROTEIN KINASE 14 | 著者 | Millan, D.S, Anderson, M, Bazin, R, Bunnage, M.E, Burrows, J.L, Butcher, K.J, Dodd, P.G, Evans, T.J, Fairman, D.A, Hughes, S.J, Irving, S.L, Kilty, I.C, Lemaitre, A, Lewthwaite, R.A, Mahnke, A, Mathais, J.P, Philip, J, Phillips, C, Smith, R.T, Stefaniack, M.H, Yeadon, M. | 登録日 | 2011-05-16 | 公開日 | 2011-11-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Inhaled P38 Inhibitors for the Treatment of Chronic Obstructive Pulmonary Disease. J.Med.Chem., 54, 2011
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5VB5
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![BU of 5vb5 by Molmil](/molmil-images/mine/5vb5) | |
5VB7
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![BU of 5vb7 by Molmil](/molmil-images/mine/5vb7) | |
5VB3
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![BU of 5vb3 by Molmil](/molmil-images/mine/5vb3) | |
5VB6
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2VV9
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![BU of 2vv9 by Molmil](/molmil-images/mine/2vv9) | CDK2 in complex with an imidazole piperazine | 分子名称: | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol, CELL DIVISION PROTEIN KINASE 2 | 著者 | Acton, D.G, Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Finlay, M.R, Fisher, E, Gerhardt, S, Graham, M.A, Green, C.P, Heaton, D.W, Loddick, S.A, Morgentin, R, Read, J, Roberts, A, Stanway, J, Tucker, J.A, Weir, H.M. | 登録日 | 2008-06-04 | 公開日 | 2008-08-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Imidazole Piperazines: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors with a Novel Binding Mode. Bioorg.Med.Chem.Lett., 18, 2008
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4ACM
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![BU of 4acm by Molmil](/molmil-images/mine/4acm) | CDK2 IN COMPLEX WITH 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}-PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE | 分子名称: | 3-AMINO-6-(4-{[2-(DIMETHYLAMINO)ETHYL]SULFAMOYL}PHENYL)-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE, CYCLIN-DEPENDENT KINASE 2, GLYCEROL | 著者 | Berg, S, Bhat, R, Anderson, M, Bergh, M, Brassington, C, Hellberg, S, Jerning, E, Hogdin, K, Lo-Alfredsson, Y, Neelissen, J, Nilsson, Y, Ormo, M, Soderman, P, Stanway, J, Tucker, J, von Berg, S, Weigelt, T, Xue, Y. | 登録日 | 2011-12-16 | 公開日 | 2012-05-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Discovery of novel potent and highly selective glycogen synthase kinase-3 beta (GSK3 beta ) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. J. Med. Chem., 55, 2012
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4GE7
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![BU of 4ge7 by Molmil](/molmil-images/mine/4ge7) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2012-11-07 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
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4GE9
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![BU of 4ge9 by Molmil](/molmil-images/mine/4ge9) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2012-11-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
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4GE4
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![BU of 4ge4 by Molmil](/molmil-images/mine/4ge4) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 公開日 | 2012-11-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett, 4, 2013
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4GEB
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![BU of 4geb by Molmil](/molmil-images/mine/4geb) | Kynurenine Aminotransferase II Inhibitors | 分子名称: | (5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial, ... | 著者 | Pandit, J. | 登録日 | 2012-08-01 | 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 | PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency. Bioorg.Med.Chem.Lett., 23, 2013
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