1YWR
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![BU of 1ywr by Molmil](/molmil-images/mine/1ywr) | Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor | 分子名称: | 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, Mitogen-activated protein kinase 14 | 著者 | Golebiowski, A, Townes, J.A, Laufersweiler, M.J, Brugel, T.A, Clark, M.P, Clark, C.M, Djung, J.F, Laughlin, S.K, Sabat, M.P, Bookland, R.G, Vanrens, J.C, De, B, Hsieh, L.C, Janusz, M.J, Walter, R.L, Webster, M.E, Mekel, M.J. | 登録日 | 2005-02-18 | 公開日 | 2005-05-10 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The development of monocyclic pyrazolone based cytokine synthesis inhibitors. Bioorg.Med.Chem.Lett., 15, 2005
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1YW2
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![BU of 1yw2 by Molmil](/molmil-images/mine/1yw2) | Mutated Mus Musculus P38 Kinase (mP38) | 分子名称: | 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE, Mitogen-activated protein kinase 14 | 著者 | Laughlin, S.K, Clark, M.P, Djung, J.F, Golebiowski, A, Brugel, T.A, Sabat, M, Bookland, R.G, Laufersweiler, M.J, Vanrens, J.C, Townes, J.A, De, B, Hsieh, L.C, Xu, S.C, Walter, R.L, Mekel, M.J, Janusz, M.J. | 登録日 | 2005-02-16 | 公開日 | 2005-05-10 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production. Bioorg.Med.Chem.Lett., 15, 2005
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4NCM
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![BU of 4ncm by Molmil](/molmil-images/mine/4ncm) | |
4NCE
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![BU of 4nce by Molmil](/molmil-images/mine/4nce) | Influenza polymerase basic protein 2 (PB2) bound to 7-methyl-GTP | 分子名称: | 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Polymerase basic protein 2 | 著者 | Jacobs, M.D. | 登録日 | 2013-10-24 | 公開日 | 2014-07-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2. J.Med.Chem., 57, 2014
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4P1U
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![BU of 4p1u by Molmil](/molmil-images/mine/4p1u) | |
5JUN
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![BU of 5jun by Molmil](/molmil-images/mine/5jun) | PB2 bound to an azaindole inhibitor | 分子名称: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid, Polymerase basic protein 2 | 著者 | Jacobs, M.D. | 登録日 | 2016-05-10 | 公開日 | 2017-05-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2. ACS Med Chem Lett, 8, 2017
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4YD0
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![BU of 4yd0 by Molmil](/molmil-images/mine/4yd0) | Influenza polymerase basic protein 2 (PB2) bound to an azaindole-tetrazole inhibitor | 分子名称: | 2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(1R,2S,3S,4R)-3-(1H-tetrazol-5-yl)bicyclo[2.2.2]oct-2-yl]pyrimidin-4-amine, Polymerase basic protein 2 | 著者 | Jacobs, M.D. | 登録日 | 2015-02-20 | 公開日 | 2015-04-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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5BUH
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![BU of 5buh by Molmil](/molmil-images/mine/5buh) | Influenza PB2 bound to a hydroxymethyl azaindole inhibitor | 分子名称: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | 著者 | Jacobs, M.D. | 登録日 | 2015-06-03 | 公開日 | 2016-06-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza. ACS Med Chem Lett, 8, 2017
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5F79
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![BU of 5f79 by Molmil](/molmil-images/mine/5f79) | Influenza PB2 bound to an azaindole inhibitor | 分子名称: | N-[(1R,3S)-3-({5-fluoro-2-[5-fluoro-2-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl}amino)cyclohexyl]pyrrolidine-1-carboxamide, Polymerase basic protein 2 | 著者 | Jacobs, M.D. | 登録日 | 2015-12-07 | 公開日 | 2016-12-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Novel 2-Substituted 7-Azaindole and 7-Azaindazole Analogues as Potential Antiviral Agents for the Treatment of Influenza. ACS Med Chem Lett, 8, 2017
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5JUR
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![BU of 5jur by Molmil](/molmil-images/mine/5jur) | PB2 bound to an azaindole inhibitor | 分子名称: | (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-4,4-dimethyl-pentanoic acid, Polymerase basic protein 2 | 著者 | Jacobs, M.D. | 登録日 | 2016-05-10 | 公開日 | 2017-03-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Discovery of Novel, Orally Bioavailable beta-Amino Acid Azaindole Inhibitors of Influenza PB2. ACS Med Chem Lett, 8, 2017
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2GHL
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![BU of 2ghl by Molmil](/molmil-images/mine/2ghl) | Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743 | 分子名称: | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | 著者 | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Brugel, T.A. | 登録日 | 2006-03-27 | 公開日 | 2006-04-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1. Bioorg.Med.Chem.Lett., 16, 2006
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2GHM
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![BU of 2ghm by Molmil](/molmil-images/mine/2ghm) | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 | 分子名称: | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | 著者 | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A. | 登録日 | 2006-03-27 | 公開日 | 2006-05-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1. Bioorg.Med.Chem.Lett., 16, 2006
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2GTN
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![BU of 2gtn by Molmil](/molmil-images/mine/2gtn) | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 | 分子名称: | 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE, Mitogen-activated protein kinase 14, SULFATE ION | 著者 | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | 登録日 | 2006-04-28 | 公開日 | 2006-07-11 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16, 2006
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2GTM
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![BU of 2gtm by Molmil](/molmil-images/mine/2gtm) | Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579 | 分子名称: | 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM, Mitogen-activated protein kinase 14 | 著者 | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Sabat, M. | 登録日 | 2006-04-28 | 公開日 | 2006-05-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. Bioorg.Med.Chem.Lett., 16, 2006
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