8U1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u1f by Molmil](/molmil-images/mine/8u1f) | FGFR2 Kinase Domain Bound to Irreversible Inhibitor Cmpd 10 | 分子名称: | Fibroblast growth factor receptor 2, GLYCEROL, N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide, ... | 著者 | Valverde, R, Foster, L. | 登録日 | 2023-08-31 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (3.33 Å) | 主引用文献 | Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8UDU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8udu by Molmil](/molmil-images/mine/8udu) | The X-RAY co-crystal structure of human FGFR3 and Compound 17 | 分子名称: | 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, CHLORIDE ION, Fibroblast growth factor receptor 3 | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | 登録日 | 2023-09-29 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.737 Å) | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations. J.Med.Chem., 67, 2024
|
|
8UDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8udt by Molmil](/molmil-images/mine/8udt) | The X-RAY co-crystal structure of human FGFR3 and KIN-3248 | 分子名称: | 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, D-MALATE, Fibroblast growth factor receptor 3 | 著者 | Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W. | 登録日 | 2023-09-29 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.829 Å) | 主引用文献 | Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations. J.Med.Chem., 67, 2024
|
|
8XOX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xox by Molmil](/molmil-images/mine/8xox) | The Crystal Structure of FAK2 from Biortus. | 分子名称: | 1,2-ETHANEDIOL, N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide, Protein-tyrosine kinase 2-beta | 著者 | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | 登録日 | 2024-01-02 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Crystal Structure of FAK2 from Biortus. To Be Published
|
|
8XPV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xpv by Molmil](/molmil-images/mine/8xpv) | The Crystal Structure of EphA2 from Biortus. | 分子名称: | 1,2-ETHANEDIOL, 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, Ephrin type-A receptor 2, ... | 著者 | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | 登録日 | 2024-01-04 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The Crystal Structure of EphA2 from Biortus. To Be Published
|
|
8XLQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xlq by Molmil](/molmil-images/mine/8xlq) | |
8TU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tu3 by Molmil](/molmil-images/mine/8tu3) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 10 | 分子名称: | 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M. | 登録日 | 2023-08-15 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
|
|
8U8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8u8x by Molmil](/molmil-images/mine/8u8x) | crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27 | 分子名称: | 1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Wang, J, Mou, T.C. | 登録日 | 2023-09-18 | 公開日 | 2024-06-12 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Discovery of Potent and Selective Covalent Inhibitors of HER2 WT and HER2 YVMA . J.Med.Chem., 67, 2024
|
|
8TU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tu5 by Molmil](/molmil-images/mine/8tu5) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 27 | 分子名称: | 1-[(1S,5S,6S)-6-methyl-6-{[(6M,8R)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}-2-azabicyclo[3.2.0]heptan-2-yl]propan-1-one, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M. | 登録日 | 2023-08-15 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
|
|
8TVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tvm by Molmil](/molmil-images/mine/8tvm) | IRAK4 in complex with compound 24 | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | 著者 | Metrick, C.M, Chodaparambil, J.V. | 登録日 | 2023-08-18 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors. Acs Med.Chem.Lett., 15, 2024
|
|
8TU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tu4 by Molmil](/molmil-images/mine/8tu4) | Bruton's tyrosine kinase in complex with covalent inhibitor compound 25 | 分子名称: | N-methyl-N-[(1S,3r)-3-methyl-3-{[(6M,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}cyclobutyl]propanamide, Tyrosine-protein kinase BTK | 著者 | Metrick, C.M. | 登録日 | 2023-08-15 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and Preclinical Characterization of BIIB129, a Covalent, Selective, and Brain-Penetrant BTK Inhibitor for the Treatment of Multiple Sclerosis. J.Med.Chem., 67, 2024
|
|
8TX0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tx0 by Molmil](/molmil-images/mine/8tx0) | IRAK4 in complex with compound | 分子名称: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, SODIUM ION, ... | 著者 | Metrick, C.M, Chodaparambil, J.V. | 登録日 | 2023-08-21 | 公開日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of BIO-8169─A Highly Potent, Selective, and Brain-Penetrant IRAK4 Inhibitor for the Treatment of Neuroinflammation. J.Med.Chem., 67, 2024
|
|
8XLO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xlo by Molmil](/molmil-images/mine/8xlo) | |
8YGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ygx by Molmil](/molmil-images/mine/8ygx) | |
8YGZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ygz by Molmil](/molmil-images/mine/8ygz) | The Crystal Structure of TGF beta R2 kinase domain from Biortus. | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TGF-beta receptor type-2 | 著者 | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | 登録日 | 2024-02-27 | 公開日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Crystal Structure of TGF beta R2 kinase domain from Biortus. To Be Published
|
|
5XGM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xgm by Molmil](/molmil-images/mine/5xgm) | Crystal structure of EGFR 696-1022 T790M in complex with Go6976 | 分子名称: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, Epidermal growth factor receptor | 著者 | Kong, L.L, Yun, C.H. | 登録日 | 2017-04-14 | 公開日 | 2017-10-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.952 Å) | 主引用文献 | Structural pharmacological studies on EGFR T790M/C797S. Biochem. Biophys. Res. Commun., 488, 2017
|
|
5XFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xfj by Molmil](/molmil-images/mine/5xfj) | |
5XP5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xp5 by Molmil](/molmil-images/mine/5xp5) | C-Src in complex with ATP-Chf | 分子名称: | MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase Src, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(S)-fluoranyl-[oxidanyl(phosphonooxy)phosphoryl]methyl]phosphinic acid | 著者 | Duan, Y, Guo, M, Dai, S, Chen, L, Chen, Y. | 登録日 | 2017-06-01 | 公開日 | 2018-02-07 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Remarkably Stereospecific Utilization of ATP alpha , beta-Halomethylene Analogues by Protein Kinases. J. Am. Chem. Soc., 139, 2017
|
|
5XD6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xd6 by Molmil](/molmil-images/mine/5xd6) | CARK1 phosphorylates ABA receptors | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Protein kinase superfamily protein | 著者 | Zhang, L, Lou, Z. | 登録日 | 2017-03-27 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | CARK1 phosphorylates ABA receptors To Be Published
|
|
5XDK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xdk by Molmil](/molmil-images/mine/5xdk) | Crystal structure of EGFR 696-1022 T790M in complex with CO-1686 | 分子名称: | Epidermal growth factor receptor, N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide | 著者 | Yan, X.E, Yun, C.H. | 登録日 | 2017-03-28 | 公開日 | 2017-12-13 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.346 Å) | 主引用文献 | Structural basis of mutant-selectivity and drug-resistance related to CO-1686. Oncotarget, 8, 2017
|
|
5XFF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xff by Molmil](/molmil-images/mine/5xff) | |
5X5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5x5o by Molmil](/molmil-images/mine/5x5o) | Crystal structure of ZAK in complex with compound D2829 | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide | 著者 | Dai, Y.B, Zhao, P, Yun, C.H. | 登録日 | 2017-02-17 | 公開日 | 2017-12-27 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.868 Å) | 主引用文献 | Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors. J. Med. Chem., 60, 2017
|
|
5XGN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xgn by Molmil](/molmil-images/mine/5xgn) | Crystal structure of EGFR 696-1022 T790M/C797S in complex with Go6976 | 分子名称: | 12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole, CHLORIDE ION, Epidermal growth factor receptor | 著者 | Kong, L.L, Yun, C.H. | 登録日 | 2017-04-14 | 公開日 | 2017-10-11 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural pharmacological studies on EGFR T790M/C797S. Biochem. Biophys. Res. Commun., 488, 2017
|
|
5XYZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xyz by Molmil](/molmil-images/mine/5xyz) | The structure of human BTK kinase domain in complex with a covalent inhibitor | 分子名称: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | 著者 | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | 登録日 | 2017-07-11 | 公開日 | 2018-05-23 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery. J. Med. Chem., 60, 2017
|
|
5Y5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y5u by Molmil](/molmil-images/mine/5y5u) | |