4UI5
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4UI4
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4UI3
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4UI7
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4W5I
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![BU of 4w5i by Molmil](/molmil-images/mine/4w5i) | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | 分子名称: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | 著者 | Haikarainen, T, Lehtio, L. | 登録日 | 2014-08-18 | 公開日 | 2015-06-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases. Bioorg.Med.Chem., 23, 2015
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4UVV
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![BU of 4uvv by Molmil](/molmil-images/mine/4uvv) | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methyl-1,2-dihydroisoquinolin-1-one | 分子名称: | 3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2014-08-08 | 公開日 | 2015-07-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4UX4
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![BU of 4ux4 by Molmil](/molmil-images/mine/4ux4) | Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium | 分子名称: | (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ... | 著者 | Haikarainen, T, Lehtio, L. | 登録日 | 2014-08-19 | 公開日 | 2015-06-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Design, Synthesis and Evaluation in Vitro of Arylnaphthyridinones, Arylpyridopyrimidinones and Their Tetrahydro Derivatives as Inhibitors of the Tankyrases. Bioorg.Med.Chem., 23, 2015
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4UVX
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![BU of 4uvx by Molmil](/molmil-images/mine/4uvx) | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-one | 分子名称: | 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2014-08-08 | 公開日 | 2015-07-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4UVY
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![BU of 4uvy by Molmil](/molmil-images/mine/4uvy) | Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one | 分子名称: | 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2014-08-08 | 公開日 | 2015-07-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4UVW
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![BU of 4uvw by Molmil](/molmil-images/mine/4uvw) | Crystal structure of human tankyrase 2 in complex with 4,5-dimethyl-3- phenyl-1,2-dihydroisoquinolin-1-one | 分子名称: | 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2014-08-08 | 公開日 | 2015-07-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4UVU
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![BU of 4uvu by Molmil](/molmil-images/mine/4uvu) | Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium | 分子名称: | 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2014-08-08 | 公開日 | 2015-07-29 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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5FPG
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5FPF
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8BX6
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8BXH
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![BU of 8bxh by Molmil](/molmil-images/mine/8bxh) | Crystal structure of JAK2 JH1 in complex with momelotinib | 分子名称: | MALONATE ION, Momelotinib, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T. | 登録日 | 2022-12-08 | 公開日 | 2023-12-20 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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8BXC
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![BU of 8bxc by Molmil](/molmil-images/mine/8bxc) | Crystal structure of JAK2 JH1 in complex with itacitinib | 分子名称: | Itacitinib, MALONATE ION, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T. | 登録日 | 2022-12-08 | 公開日 | 2023-12-20 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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8BX9
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![BU of 8bx9 by Molmil](/molmil-images/mine/8bx9) | Crystal structure of JAK2 JH1 in complex with ilginatinib | 分子名称: | DIMETHYL SULFOXIDE, Ilginatinib, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T. | 登録日 | 2022-12-08 | 公開日 | 2023-12-20 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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4BS4
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![BU of 4bs4 by Molmil](/molmil-images/mine/4bs4) | Crystal structure of human tankyrase 2 in complex with 4'-isopropylflavone | 分子名称: | 4'-ISOPROPYLFLAVONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2013-06-07 | 公開日 | 2013-10-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Discovery of Tankyrase Inhibiting Flavones with Increased Potency and Isoenzyme Selectivity. J.Med.Chem., 56, 2013
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8BA4
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![BU of 8ba4 by Molmil](/molmil-images/mine/8ba4) | Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib | 分子名称: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-11 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8BA3
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![BU of 8ba3 by Molmil](/molmil-images/mine/8ba3) | Crystal structure of JAK2 JH2 in complex with Bemcentinib | 分子名称: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-11 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8B99
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![BU of 8b99 by Molmil](/molmil-images/mine/8b99) | Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621 | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-05 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8B8U
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8B9H
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![BU of 8b9h by Molmil](/molmil-images/mine/8b9h) | Crystal structure of JAK2 JH2 in complex with Z902-A3 | 分子名称: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-06 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8B9E
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![BU of 8b9e by Molmil](/molmil-images/mine/8b9e) | Crystal structure of JAK2 JH2-V617F in complex with Z902-A3 | 分子名称: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-05 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8BAK
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