4AN3
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![BU of 4an3 by Molmil](/molmil-images/mine/4an3) | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, ... | 著者 | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | 登録日 | 2012-03-15 | 公開日 | 2012-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012
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4AN2
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![BU of 4an2 by Molmil](/molmil-images/mine/4an2) | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | 分子名称: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | 登録日 | 2012-03-14 | 公開日 | 2012-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012
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4ANB
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![BU of 4anb by Molmil](/molmil-images/mine/4anb) | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | 分子名称: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | 登録日 | 2012-03-16 | 公開日 | 2012-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012
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4AN9
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![BU of 4an9 by Molmil](/molmil-images/mine/4an9) | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | 分子名称: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | 登録日 | 2012-03-16 | 公開日 | 2012-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012
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4BBE
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![BU of 4bbe by Molmil](/molmil-images/mine/4bbe) | Aminoalkylpyrimidine Inhibitor Complexes with JAK2 | 分子名称: | N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide, TYROSINE-PROTEIN KINASE JAK2 | 著者 | Li, J. | 登録日 | 2012-09-21 | 公開日 | 2012-11-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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4AWP
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![BU of 4awp by Molmil](/molmil-images/mine/4awp) | |
4AW5
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![BU of 4aw5 by Molmil](/molmil-images/mine/4aw5) | Complex of the EphB4 kinase domain with an oxindole inhibitor | 分子名称: | (3Z)-5-[(1-ethylpiperidin-4-yl)amino]-3-[(5-methoxy-1H-benzimidazol-2-yl)(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one, EPHRIN TYPE-B RECEPTOR 4 | 著者 | Till, J.H, Stout, T.J. | 登録日 | 2012-05-31 | 公開日 | 2012-08-01 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | The Design, Synthesis, and Biological Evaluation of Potent Receptor Tyrosine Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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6B8J
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![BU of 6b8j by Molmil](/molmil-images/mine/6b8j) | |
6V6L
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![BU of 6v6l by Molmil](/molmil-images/mine/6v6l) | Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one | 分子名称: | 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION | 著者 | Bussiere, D.E, Fang, E, Shu, W. | 登録日 | 2019-12-05 | 公開日 | 2020-01-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Discovery and optimization of novel pyridines as highly potent and selective glycogen synthase kinase 3 inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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4ANW
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![BU of 4anw by Molmil](/molmil-images/mine/4anw) | Complexes of PI3Kgamma with isoform selective inhibitors. | 分子名称: | 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | 著者 | Foster, P.G, Lougheed, J.C. | 登録日 | 2012-03-22 | 公開日 | 2012-05-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4ANM
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![BU of 4anm by Molmil](/molmil-images/mine/4anm) | Complex of CK2 with a CDC7 inhibitor | 分子名称: | 8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, CASEIN KINASE II SUBUNIT ALPHA | 著者 | Stout, T.J. | 登録日 | 2012-03-20 | 公開日 | 2012-05-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of Xl413, a Potent and Selective Cdc7 Inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
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4ANX
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![BU of 4anx by Molmil](/molmil-images/mine/4anx) | Complexes of PI3Kgamma with isoform selective inhibitors. | 分子名称: | 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | 著者 | Foster, P.G, Lougheed, J.C. | 登録日 | 2012-03-22 | 公開日 | 2012-05-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4ANU
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![BU of 4anu by Molmil](/molmil-images/mine/4anu) | Complexes of PI3Kgamma with isoform selective inhibitors. | 分子名称: | 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | 著者 | Foster, P.G, Lougheed, J.C. | 登録日 | 2012-03-22 | 公開日 | 2012-05-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4ALW
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![BU of 4alw by Molmil](/molmil-images/mine/4alw) | Benzofuropyrimidinone Inhibitors of Pim-1 | 分子名称: | 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE | 著者 | Stout, T.J, Adams, L. | 登録日 | 2012-03-05 | 公開日 | 2013-01-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4ANV
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![BU of 4anv by Molmil](/molmil-images/mine/4anv) | Complexes of PI3Kgamma with isoform selective inhibitors. | 分子名称: | 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | 著者 | Foster, P.G, Lougheed, J.C. | 登録日 | 2012-03-22 | 公開日 | 2012-05-09 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4ALU
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![BU of 4alu by Molmil](/molmil-images/mine/4alu) | Benzofuropyrimidinone Inhibitors of Pim-1 | 分子名称: | 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | 著者 | Stout, T.J, Adams, L. | 登録日 | 2012-03-05 | 公開日 | 2013-01-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4ALV
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![BU of 4alv by Molmil](/molmil-images/mine/4alv) | Benzofuropyrimidinone Inhibitors of Pim-1 | 分子名称: | 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | 著者 | Stout, T.J, Adams, L. | 登録日 | 2012-03-05 | 公開日 | 2013-01-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4AWO
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![BU of 4awo by Molmil](/molmil-images/mine/4awo) | Complex of HSP90 ATPase domain with tropane derived inhibitors | 分子名称: | 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Lougheed, J.C, Stout, T.J. | 登録日 | 2012-06-05 | 公開日 | 2012-08-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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4AWQ
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![BU of 4awq by Molmil](/molmil-images/mine/4awq) | Complex of HSP90 ATPase domain with tropane derived inhibitors | 分子名称: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide | 著者 | Lougheed, J.C, Stout, T.J. | 登録日 | 2012-06-05 | 公開日 | 2012-08-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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4BBF
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![BU of 4bbf by Molmil](/molmil-images/mine/4bbf) | Aminoalkylpyrimidine Inhibitor Complexes with JAK2 | 分子名称: | (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | 著者 | Li, J. | 登録日 | 2012-09-21 | 公開日 | 2012-11-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors Bioorg.Med.Chem.Lett., 22, 2012
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1NNB
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![BU of 1nnb by Molmil](/molmil-images/mine/1nnb) | THREE-DIMENSIONAL STRUCTURE OF INFLUENZA A N9 NEURAMINIDASE AND ITS COMPLEX WITH THE INHIBITOR 2-DEOXY 2,3-DEHYDRO-N-ACETYL NEURAMINIC ACID | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, NEURAMINIDASE | 著者 | Bossart-Whitaker, P, Carson, M, Babu, Y.S, Smith, C.D, Laver, W.G, Air, G.M. | 登録日 | 1993-03-08 | 公開日 | 1994-04-30 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Three-dimensional structure of influenza A N9 neuraminidase and its complex with the inhibitor 2-deoxy 2,3-dehydro-N-acetyl neuraminic acid. J.Mol.Biol., 232, 1993
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1NNA
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![BU of 1nna by Molmil](/molmil-images/mine/1nna) | THREE-DIMENSIONAL STRUCTURE OF INFLUENZA A N9 NEURAMINIDASE AND ITS COMPLEX WITH THE INHIBITOR 2-DEOXY 2,3-DEHYDRO-N-ACETYL NEURAMINIC ACID | 分子名称: | CALCIUM ION, NEURAMINIDASE | 著者 | Bossart-Whitaker, P, Carson, M, Babu, Y.S, Smith, C.D, Laver, W.G, Air, G.M. | 登録日 | 1993-03-08 | 公開日 | 1994-04-30 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Three-dimensional structure of influenza A N9 neuraminidase and its complex with the inhibitor 2-deoxy 2,3-dehydro-N-acetyl neuraminic acid. J.Mol.Biol., 232, 1993
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