5T1T
| Irak4 kinase - compound 1 co-structure | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine | 著者 | Fischmann, T.O. | 登録日 | 2016-08-22 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg. Med. Chem. Lett., 27, 2017
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5TQ6
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5IUG
| Crystal Structure of Anaplastic Lymphoma Kinase (ALK) in complex with 5a | 分子名称: | ALK tyrosine kinase receptor, N-[3-(4-{[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]amino}-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | 著者 | Tu, C.H, Wu, S.Y. | 登録日 | 2016-03-18 | 公開日 | 2016-05-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK). J.Med.Chem., 59, 2016
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5TTU
| Jak3 with covalent inhibitor 7 | 分子名称: | 1-[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydro-6H-pyrrolo[2,3-c]pyridin-6-yl]propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | 著者 | Vajdos, F.F. | 登録日 | 2016-11-04 | 公開日 | 2017-02-22 | 最終更新日 | 2017-03-22 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5J79
| The identification and pharmacological characterization of 6-(tert-butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a highly potent and selective inhibitor of RIP2 Kinase, Compound 3 complex | 分子名称: | 4-methyl-3-{[6-(methylsulfonyl)quinolin-4-yl]amino}phenol, Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION | 著者 | Convery, M.A, Casillas, L.N, Haile, P.A, Votta, B.J, Lakdawala, A.S. | 登録日 | 2016-04-06 | 公開日 | 2016-05-18 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase. J.Med.Chem., 59, 2016
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5TX5
| Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772 | 分子名称: | 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Campobasso, N, Ward, P, Thrope, J. | 登録日 | 2016-11-15 | 公開日 | 2017-07-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases. J. Med. Chem., 60, 2017
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5UAB
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5JGD
| Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 12 | 分子名称: | N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | 著者 | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | 登録日 | 2016-04-20 | 公開日 | 2016-07-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.101 Å) | 主引用文献 | Discovery of a potent and highly selective transforming growth factor beta receptor-associated kinase 1 (TAK1) inhibitor by structure based drug design (SBDD) Bioorg.Med.Chem., 24, 2016
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5J5S
| Src kinase in complex with a sulfonamide inhibitor | 分子名称: | N-{4-[8-amino-3-(propan-2-yl)imidazo[1,5-a]pyrazin-1-yl]naphthalen-1-yl}-N'-[3-(trifluoromethyl)phenyl]urea, Proto-oncogene tyrosine-protein kinase Src | 著者 | Lebedev, I, Feldman, H.C, Georghiou, G, Maly, D.J, Seeliger, M. | 登録日 | 2016-04-03 | 公開日 | 2016-06-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.153 Å) | 主引用文献 | Structural and Functional Analysis of the Allosteric Modulation of IRE1a with ATP-Competitive Kinase Inhibitors To Be Published
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5J87
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5TTV
| Jak3 with covalent inhibitor 6 | 分子名称: | N-[3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]propanamide, Tyrosine-protein kinase JAK3 | 著者 | Vajdos, F.F. | 登録日 | 2016-11-04 | 公開日 | 2017-02-22 | 最終更新日 | 2017-03-22 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5IUI
| Crystal Structure of Anaplastic Lyphoma Kinase (ALK) in complex with 4 | 分子名称: | ALK tyrosine kinase receptor, N-[3-(4-amino-3-methylphenyl)-1H-pyrazol-5-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide | 著者 | Tu, C.H, Wu, S.Y. | 登録日 | 2016-03-18 | 公開日 | 2016-05-18 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Pyrazolylamine Derivatives Reveal the Conformational Switching between Type I and Type II Binding Modes of Anaplastic Lymphoma Kinase (ALK). J.Med.Chem., 59, 2016
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5TTS
| Jak3 with covalent inhibitor 4 | 分子名称: | 1-{(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, Tyrosine-protein kinase JAK3 | 著者 | Vajdos, F.F. | 登録日 | 2016-11-04 | 公開日 | 2017-02-22 | 最終更新日 | 2017-03-22 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans. J. Med. Chem., 60, 2017
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5HCZ
| EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21 | 分子名称: | 2-[1-[1-[(2~{S})-butan-2-yl]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyrazolo[4,3-c]pyridin-3-yl]azetidin-3-yl]propan-2-ol, Epidermal growth factor receptor, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2016-01-04 | 公開日 | 2016-09-07 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Discovery of a Noncovalent, Mutant-Selective Epidermal Growth Factor Receptor Inhibitor. J.Med.Chem., 59, 2016
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5HHW
| Crystal structure of insulin receptor kinase domain in complex with cis-(R)-7-(3-(azetidin-1-ylmethyl)cyclobutyl)-5-(3-((tetrahydro-2H-pyran-2-yl)methoxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine. | 分子名称: | 1,2-ETHANEDIOL, 7-[3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-[[(2~{R})-oxan-2-yl]methoxy]phenyl]pyrrolo[2,3-d]pyrimidin-4-amine, Insulin receptor | 著者 | Scheufler, C, Izaac, A, Stauffer, F. | 登録日 | 2016-01-11 | 公開日 | 2016-04-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Identification of a 5-[3-phenyl-(2-cyclic-ether)-methylether]-4-aminopyrrolo[2,3-d]pyrimidine series of IGF-1R inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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5HI2
| BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | 分子名称: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf | 著者 | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | 登録日 | 2016-01-11 | 公開日 | 2016-04-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.512 Å) | 主引用文献 | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2. Cancer Cell, 29, 2016
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5HU9
| Crystal structure of ABL1 in complex with CHMFL-074 | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ... | 著者 | Kong, L.L, Yun, C.H. | 登録日 | 2016-01-27 | 公開日 | 2016-07-13 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.529 Å) | 主引用文献 | Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML) Oncotarget, 7, 2016
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5IA0
| Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237) | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, alisertib | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.948 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5JFS
| Crystal structure of TrkA in complex with PF-00593174 | 分子名称: | High affinity nerve growth factor receptor, N-{4-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-2-yl}-N'-(2,4-difluorophenyl)urea | 著者 | Jayasankar, J, Brown, D, Skerratt, S, Kurumbail, R. | 登録日 | 2016-04-19 | 公開日 | 2017-03-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain. J. Med. Chem., 59, 2016
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5JFV
| Crystal structure of TrkA in complex with PF-05206283 | 分子名称: | High affinity nerve growth factor receptor, N-{5-[4-amino-7-(propan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]pyridin-3-yl}-2-(4-chlorophenyl)acetamide | 著者 | Jayasankar, J, Kurumbail, R, Brown, D, Skerratt, S. | 登録日 | 2016-04-19 | 公開日 | 2017-03-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain. J. Med. Chem., 59, 2016
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5JK3
| Crystal structure of TL11-128 bound to TAK1-TAB1 | 分子名称: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | 著者 | Gurbani, D, Westover, K.D. | 登録日 | 2016-04-25 | 公開日 | 2017-02-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.371 Å) | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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5J8I
| Crystal structure of TL11-113 bound to TAK1-TAB1 | 分子名称: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | 著者 | Gurbani, D, Westover, K.D. | 登録日 | 2016-04-07 | 公開日 | 2017-02-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.404 Å) | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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5J9L
| Crystal structure of CPT1691 bound to TAK1-TAB1 | 分子名称: | Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide | 著者 | Gurbani, D, Westover, K.D. | 登録日 | 2016-04-10 | 公開日 | 2017-02-15 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7515 Å) | 主引用文献 | Structure-guided development of covalent TAK1 inhibitors. Bioorg. Med. Chem., 25, 2017
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5J9Z
| EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | 分子名称: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | 著者 | Becker, C, Engel, J, Rauh, D. | 登録日 | 2016-04-11 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR. Angew.Chem.Int.Ed.Engl., 55, 2016
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5U8L
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