4X2K
| Selection of fragments for kinase inhibitor design: decoration is key | 分子名称: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, TGF-beta receptor type-1 | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | 登録日 | 2014-11-26 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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4X3J
| Selection of fragments for kinase inhibitor design: decoration is key | 分子名称: | 1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, Angiopoietin-1 receptor | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | 登録日 | 2014-11-30 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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4X2F
| Selection of fragments for kinase inhibitor design: decoration is key | 分子名称: | 4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | 登録日 | 2014-11-26 | 公開日 | 2015-10-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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4X2N
| Selection of fragments for kinase inhibitor design: decoration is key | 分子名称: | SULFATE ION, TGF-beta receptor type-1 | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | 登録日 | 2014-11-26 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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4X2J
| Selection of fragments for kinase inhibitor design: decoration is key | 分子名称: | 4-[(3-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | 登録日 | 2014-11-26 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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4X2G
| Selection of fragments for kinase inhibitor design: decoration is key | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, ... | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | 登録日 | 2014-11-26 | 公開日 | 2015-08-12 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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4X0M
| Selection of fragments for kinase inhibitor design: decoration is key | 分子名称: | 4-aminopyrido[2,3-d]pyrimidin-5(8H)-one, SULFATE ION, TGF-beta receptor type-1 | 著者 | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | 登録日 | 2014-11-21 | 公開日 | 2014-12-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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1YPK
| Thrombin Inhibitor Complex | 分子名称: | 10-mer peptide from Acety-Hirudin(54-65) sulfated, Prothrombin heavy chain, Prothrombin light chain, ... | 著者 | Czodrowski, P, Sotriffer, C, Fokkens, J, Heine, A, Klebe, G. | 登録日 | 2005-01-31 | 公開日 | 2006-01-17 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | A Simple Protocol To Estimate Differences in Protein Binding Affinity for Enantiomers without Prior Resolution of Racemates Angew.Chem.Int.Ed.Engl., 45, 2006
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5ICP
| CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]thiadiazol-2-yl)-methanone | 分子名称: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | 著者 | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | 登録日 | 2016-02-23 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
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5IDN
| CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-methanone | 分子名称: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | 著者 | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | 登録日 | 2016-02-24 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
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5IDP
| CDK8-CYCC IN COMPLEX WITH (3-Amino-1H-indazol-5-yl)-[(S)-2-(4-fluoro-phenyl)-piperidin-1-yl]-methanone | 分子名称: | (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone, Cyclin-C, Cyclin-dependent kinase 8, ... | 著者 | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | 登録日 | 2016-02-24 | 公開日 | 2016-12-21 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
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4OC6
| Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide, Cathepsin D heavy chain, ... | 著者 | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | 登録日 | 2014-01-08 | 公開日 | 2014-08-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4OD9
| Structure of Cathepsin D with inhibitor N-(3,4-dimethoxybenzyl)-Nalpha-{N-[(3,4-dimethoxyphenyl)acetyl]carbamimidoyl}-D-phenylalaninamide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | 著者 | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | 登録日 | 2014-01-10 | 公開日 | 2014-08-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4OBZ
| Structure of Cathepsin D with inhibitor 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide | 分子名称: | 2-(3,4-dimethoxyphenyl)-N-[N-(4-methylbenzyl)carbamimidoyl]acetamide, 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 | Graedler, U, Czodrowski, P, Tsaklakidis, C, Klein, M, Maskos, K, Leuthner, B. | 登録日 | 2014-01-08 | 公開日 | 2014-08-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure-based optimization of non-peptidic Cathepsin D inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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