4QFS
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![BU of 4qfs by Molmil](/molmil-images/mine/4qfs) | Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor | 分子名称: | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | 著者 | Calabrese, M.F, Kurumbail, R.G. | 登録日 | 2014-05-21 | 公開日 | 2014-08-06 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | 主引用文献 | Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms. Structure, 22, 2014
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1CMV
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![BU of 1cmv by Molmil](/molmil-images/mine/1cmv) | HUMAN CYTOMEGALOVIRUS PROTEASE | 分子名称: | HUMAN CYTOMEGALOVIRUS PROTEASE | 著者 | Shieh, H.-S, Kurumbail, R.G, Stevens, A.M, Stegeman, R.A, Sturman, E.J, Pak, J.Y, Wittwer, A.J, Palmier, M.O, Wiegand, R.C, Holwerda, B.C, Stallings, W.C. | 登録日 | 1996-08-26 | 公開日 | 1997-09-04 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Three-dimensional structure of human cytomegalovirus protease. Nature, 383, 1996
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4COX
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![BU of 4cox by Molmil](/molmil-images/mine/4cox) | |
5COX
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![BU of 5cox by Molmil](/molmil-images/mine/5cox) | |
6COX
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![BU of 6cox by Molmil](/molmil-images/mine/6cox) | |
3PGH
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![BU of 3pgh by Molmil](/molmil-images/mine/3pgh) | |
1CX2
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![BU of 1cx2 by Molmil](/molmil-images/mine/1cx2) | |
6V7N
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![BU of 6v7n by Molmil](/molmil-images/mine/6v7n) | |
3MQE
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![BU of 3mqe by Molmil](/molmil-images/mine/3mqe) | Structure of SC-75416 bound at the COX-2 active site | 分子名称: | (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wang, J.L, Limburg, D, Graneto, M.J, Springer, J, Rogier, J, Kiefer, J.R. | 登録日 | 2010-04-28 | 公開日 | 2010-10-27 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
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3NTG
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![BU of 3ntg by Molmil](/molmil-images/mine/3ntg) | Crystal structure of COX-2 with selective compound 23d-(R) | 分子名称: | (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R. | 登録日 | 2010-07-04 | 公開日 | 2010-10-27 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
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3HP2
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![BU of 3hp2 by Molmil](/molmil-images/mine/3hp2) | Crystal Structure of Human p38alpha complexed with a pyridinone compound | 分子名称: | 1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | 著者 | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | 登録日 | 2009-06-03 | 公開日 | 2009-09-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg.Med.Chem.Lett., 19, 2009
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3HP5
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![BU of 3hp5 by Molmil](/molmil-images/mine/3hp5) | Crystal Structure of Human p38alpha complexed with a pyrimidopyridazinone compound | 分子名称: | 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one, Mitogen-activated protein kinase 14 | 著者 | Shieh, H.-S, Williams, J.M, Stegeman, R.A, Kurumbail, R.G. | 登録日 | 2009-06-03 | 公開日 | 2009-09-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. Bioorg.Med.Chem.Lett., 19, 2009
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5KHX
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![BU of 5khx by Molmil](/molmil-images/mine/5khx) | Crystal structure of JAK1 in complex with PF-4950736 | 分子名称: | Tyrosine-protein kinase JAK1, ~{N}-[3-[methyl(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide | 著者 | Han, S, Caspers, N.L. | 登録日 | 2016-06-16 | 公開日 | 2016-11-09 | 最終更新日 | 2018-05-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Development of a high-throughput crystal structure-determination platform for JAK1 using a novel metal-chelator soaking system. Acta Crystallogr F Struct Biol Commun, 72, 2016
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5KHW
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![BU of 5khw by Molmil](/molmil-images/mine/5khw) | Crystal structure of JAK1 in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Tyrosine-protein kinase JAK1 | 著者 | Han, S, Caspers, N.L. | 登録日 | 2016-06-16 | 公開日 | 2016-11-09 | 最終更新日 | 2018-04-18 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Development of a high-throughput crystal structure-determination platform for JAK1 using a novel metal-chelator soaking system. Acta Crystallogr F Struct Biol Commun, 72, 2016
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6CN5
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![BU of 6cn5 by Molmil](/molmil-images/mine/6cn5) | |
6CN6
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![BU of 6cn6 by Molmil](/molmil-images/mine/6cn6) | RORC2 LBD complexed with compound 34 | 分子名称: | 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma | 著者 | Kauppi, B, Vajdos, F. | 登録日 | 2018-03-07 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist. J. Med. Chem., 61, 2018
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4PY1
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![BU of 4py1 by Molmil](/molmil-images/mine/4py1) | Crystal structure of Tyk2 in complex with compound 15, 6-((2,5-dimethoxyphenyl)thio)-3-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine | 分子名称: | 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine, Non-receptor tyrosine-protein kinase TYK2 | 著者 | Han, S, Knafels, J.D. | 登録日 | 2014-03-25 | 公開日 | 2014-09-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold. Bioorg.Med.Chem.Lett., 24, 2014
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4M14
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![BU of 4m14 by Molmil](/molmil-images/mine/4m14) | |
4M13
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![BU of 4m13 by Molmil](/molmil-images/mine/4m13) | |
4M12
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![BU of 4m12 by Molmil](/molmil-images/mine/4m12) | |
4M0Z
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![BU of 4m0z by Molmil](/molmil-images/mine/4m0z) | |
4M15
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![BU of 4m15 by Molmil](/molmil-images/mine/4m15) | |
4M0Y
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![BU of 4m0y by Molmil](/molmil-images/mine/4m0y) | |