4GUB
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![BU of 4gub by Molmil](/molmil-images/mine/4gub) | Casein Kinase II bound to Inhibitor | 分子名称: | CHLORIDE ION, Casein kinase II subunit alpha, N-[5-({3-cyano-7-[(1-methyl-1H-imidazol-4-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl}amino)-2-methylphenyl]acetamide | 著者 | Larsen, N.A, Dowling, J.E. | 登録日 | 2012-08-29 | 公開日 | 2013-09-25 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Potent and selective inhibitors of CK2 kinase. To be Published
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4GRB
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![BU of 4grb by Molmil](/molmil-images/mine/4grb) | Casein kinase 2 (CK2) bound to inhibitor | 分子名称: | 5-(2-{[4-(dimethylcarbamoyl)phenyl]amino}-4-methoxypyrimidin-5-yl)thiophene-3-carboxylic acid, CHLORIDE ION, Casein kinase II subunit alpha | 著者 | Larsen, N.A, Dowling, J.E, Ferguson, A.D. | 登録日 | 2012-08-24 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo. ACS Med Chem Lett, 4, 2013
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3U4U
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![BU of 3u4u by Molmil](/molmil-images/mine/3u4u) | Casein kinase 2 in complex with AZ-Inhibitor | 分子名称: | 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid, CHLORIDE ION, Casein kinase II subunit alpha | 著者 | Larsen, N.A, Dowling, J. | 登録日 | 2011-10-10 | 公開日 | 2012-08-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization. ACS Med Chem Lett, 3, 2012
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5H8B
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![BU of 5h8b by Molmil](/molmil-images/mine/5h8b) | Crystal structure of CK2 with compound 2 | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | 著者 | Ferguson, A.D. | 登録日 | 2015-12-23 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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5H8G
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![BU of 5h8g by Molmil](/molmil-images/mine/5h8g) | Crystal structure of CK2 with compound 7b | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ... | 著者 | Ferguson, A.D. | 登録日 | 2015-12-23 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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5H8E
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![BU of 5h8e by Molmil](/molmil-images/mine/5h8e) | Crystal structure of CK2 with compound 7h | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ... | 著者 | Ferguson, A.D. | 登録日 | 2015-12-23 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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4P90
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8BI2
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![BU of 8bi2 by Molmil](/molmil-images/mine/8bi2) | Syk kinase domain in complex with macrocyclic inhibitor 20a | 分子名称: | 10,13,23-trimethyl-16-oxa-2,4,8,9,13,19,23,30-octazapentacyclo[19.5.2.1^{3,7}.1^{8,11}.0^{24,28}]triaconta-1(27),3,5,7(30),9,11(29),21,24(28),25-nonaen-20-one, Tyrosine-protein kinase SYK | 著者 | Read, J.A, Patel, J. | 登録日 | 2022-11-01 | 公開日 | 2023-06-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.508 Å) | 主引用文献 | Optimization of a series of novel, potent and selective Macrocyclic SYK inhibitors. Bioorg.Med.Chem.Lett., 91, 2023
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5K72
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![BU of 5k72 by Molmil](/molmil-images/mine/5k72) | IRAK4 in complex with Compound 21 | 分子名称: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine | 著者 | Ferguson, A.D. | 登録日 | 2016-05-25 | 公開日 | 2017-12-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K7G
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![BU of 5k7g by Molmil](/molmil-images/mine/5k7g) | IRAK4 in complex with AZ3862 | 分子名称: | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | 著者 | Ferguson, A.D. | 登録日 | 2016-05-26 | 公開日 | 2017-12-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K76
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![BU of 5k76 by Molmil](/molmil-images/mine/5k76) | IRAK4 in complex with Compound 28 | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | 著者 | Ferguson, A.D. | 登録日 | 2016-05-25 | 公開日 | 2017-12-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K7I
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![BU of 5k7i by Molmil](/molmil-images/mine/5k7i) | IRAK4 in complex with AZ3864 | 分子名称: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION | 著者 | Ferguson, A.D. | 登録日 | 2016-05-26 | 公開日 | 2017-12-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5K75
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![BU of 5k75 by Molmil](/molmil-images/mine/5k75) | IRAK4 in complex with Compound 1 | 分子名称: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine | 著者 | Ferguson, A.D. | 登録日 | 2016-05-25 | 公開日 | 2017-12-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma. J. Med. Chem., 60, 2017
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5O49
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![BU of 5o49 by Molmil](/molmil-images/mine/5o49) | Human FGF in complex with a covalent inhibitor | 分子名称: | Fibroblast growth factor receptor 1, SULFATE ION, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate | 著者 | Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N. | 登録日 | 2017-05-26 | 公開日 | 2018-02-07 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions. Org. Biomol. Chem., 15, 2017
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5O4A
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![BU of 5o4a by Molmil](/molmil-images/mine/5o4a) | Human FGF in complex with a covalent inhibitor | 分子名称: | Fibroblast growth factor receptor 1, GLYCEROL, SULFATE ION, ... | 著者 | Debreczeni, J, Breed, J, Mukherjee, H, Aquila, B, Kaiser, C, Tentarelli, S, Whitty, A, Grimster, N. | 登録日 | 2017-05-26 | 公開日 | 2018-02-07 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions. Org. Biomol. Chem., 15, 2017
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5KBR
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![BU of 5kbr by Molmil](/molmil-images/mine/5kbr) | Pak1 in complex with 7-azaindole inhibitor | 分子名称: | (4-chlorophenyl)-[5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]methanone, Serine/threonine-protein kinase PAK 1 | 著者 | Ferguson, A. | 登録日 | 2016-06-03 | 公開日 | 2016-09-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors. ACS Med Chem Lett, 7, 2016
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5KBQ
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![BU of 5kbq by Molmil](/molmil-images/mine/5kbq) | Pak1 in complex with bis-anilino pyrimidine inhibitor | 分子名称: | Serine/threonine-protein kinase PAK 1, [4-methyl-3-[methyl-[2-[(3-methylsulfonyl-5-morpholin-4-yl-phenyl)amino]pyrimidin-4-yl]amino]phenyl]methanol | 著者 | Ferguson, A. | 登録日 | 2016-06-03 | 公開日 | 2016-09-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors. ACS Med Chem Lett, 7, 2016
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4DTK
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![BU of 4dtk by Molmil](/molmil-images/mine/4dtk) | Novel and selective pan-PIM kinase inhibitor | 分子名称: | (5Z)-5-{2-[(3R)-3-aminopiperidin-1-yl]-3-(propan-2-yloxy)benzylidene}-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, SULFATE ION, ... | 著者 | Ferguson, A.D. | 登録日 | 2012-02-21 | 公開日 | 2012-07-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases. Bioorg.Med.Chem.Lett., 22, 2012
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6BSK
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![BU of 6bsk by Molmil](/molmil-images/mine/6bsk) | Human PIM1 kinase in complex with compound 12b | 分子名称: | 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ... | 著者 | Ferguson, A.D. | 登録日 | 2017-12-03 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.573 Å) | 主引用文献 | Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases. Bioorg. Med. Chem. Lett., 28, 2018
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