7YC3
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![BU of 7yc3 by Molmil](/molmil-images/mine/7yc3) | Crystal structure of FGFR4 kinase domain with 10t | 分子名称: | 6-bromanyl-~{N}-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide, Fibroblast growth factor receptor 4, GLYCEROL, ... | 著者 | Chen, X.J, Lin, Q.M, Chen, Y.H. | 登録日 | 2022-06-30 | 公開日 | 2022-11-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.987 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YC1
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![BU of 7yc1 by Molmil](/molmil-images/mine/7yc1) | Crystal structure of FGFR4 kinase domain with 10d | 分子名称: | Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ... | 著者 | Chen, X.J, Lin, Q.M, Chen, Y.H. | 登録日 | 2022-06-30 | 公開日 | 2022-11-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.535 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YBX
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![BU of 7ybx by Molmil](/molmil-images/mine/7ybx) | Crystal structure of FGFR4(V550M) kinase domain with 10z | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | 著者 | Chen, X.J, Lin, Q.M, Chen, Y.H. | 登録日 | 2022-06-30 | 公開日 | 2022-11-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.233 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YBP
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![BU of 7ybp by Molmil](/molmil-images/mine/7ybp) | Crystal structure of FGFR4(V550L) kinase domain with 10z | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | 著者 | Chen, X.J, Lin, Q.M, Chen, Y.H. | 登録日 | 2022-06-29 | 公開日 | 2022-11-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.243 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YBO
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![BU of 7ybo by Molmil](/molmil-images/mine/7ybo) | Crystal structure of FGFR4 kinase domain with 10z | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | 著者 | Chen, X.J, Lin, Q.M, Chen, Y.H. | 登録日 | 2022-06-29 | 公開日 | 2022-11-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.307 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
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7YAZ
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![BU of 7yaz by Molmil](/molmil-images/mine/7yaz) | Crystal structure of ZAK in complex with compound YH-186 | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[2,4-bis(fluoranyl)-3-[4-[3-[(3~{S})-1-propanoylpyrrolidin-3-yl]oxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl]-1,2,3-triazol-1-yl]phenyl]-3-phenyl-benzenesulfonamide | 著者 | Kong, L.L, Yun, C.H. | 登録日 | 2022-06-28 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
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7YAW
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![BU of 7yaw by Molmil](/molmil-images/mine/7yaw) | Crystal structure of ZAK in complex with compound YH-180 | 分子名称: | Mitogen-activated protein kinase kinase kinase MLT, ~{N}-[3-[[5-[1-[2,6-bis(fluoranyl)-3-[(3-phenylphenyl)sulfonylamino]phenyl]-1,2,3-triazol-4-yl]-1~{H}-pyrazolo[3,4-b]pyridin-3-yl]oxy]propyl]propanamide | 著者 | Kong, L.L, Yun, C.H. | 登録日 | 2022-06-28 | 公開日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Rational Design of Covalent Kinase Inhibitors by an Integrated Computational Workflow (Kin-Cov). J.Med.Chem., 66, 2023
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7Y4U
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![BU of 7y4u by Molmil](/molmil-images/mine/7y4u) | Crystal structure of cMET kinase domain bound by compound 9Y | 分子名称: | Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | 著者 | Qu, L.Z, Chen, Y.H. | 登録日 | 2022-06-16 | 公開日 | 2022-11-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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7Y4T
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![BU of 7y4t by Molmil](/molmil-images/mine/7y4t) | Crystal structure of cMET kinase domain bound by compound 9I | 分子名称: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | 著者 | Qu, L.Z, Chen, Y.H. | 登録日 | 2022-06-16 | 公開日 | 2022-11-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
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7XMK
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![BU of 7xmk by Molmil](/molmil-images/mine/7xmk) | Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | 分子名称: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Zhang, L, Wang, Y, Li, Y, Yang, S. | 登録日 | 2022-04-26 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.376 Å) | 主引用文献 | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases. J.Med.Chem., 67, 2024
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7XHY
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7XDY
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7XDX
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7XDW
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7XDV
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7XBI
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![BU of 7xbi by Molmil](/molmil-images/mine/7xbi) | The crystal structure of human TrkA kinase bound to the inhibitor | 分子名称: | 4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide, CHLORIDE ION, High affinity nerve growth factor receptor | 著者 | Wu, C.Y, Wang, G, Ouyang, L. | 登録日 | 2022-03-21 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | The crystal structure of human TrkA kinase bound to the inhibitor To be published
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7XAF
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![BU of 7xaf by Molmil](/molmil-images/mine/7xaf) | The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | 分子名称: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2022-03-17 | 公開日 | 2022-06-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.001182 Å) | 主引用文献 | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance. J.Med.Chem., 65, 2022
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7WF5
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![BU of 7wf5 by Molmil](/molmil-images/mine/7wf5) | c-Src in complex with ponatinib | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Guo, M, Duan, Y, Dai, S, Chen, X, Chen, Y. | 登録日 | 2021-12-26 | 公開日 | 2022-03-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Structural study of ponatinib in inhibiting SRC kinase. Biochem.Biophys.Res.Commun., 598, 2022
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7WCX
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![BU of 7wcx by Molmil](/molmil-images/mine/7wcx) | Crystal structure of FGFR4(V550M) kinase domain with 7v | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.175 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCW
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![BU of 7wcw by Molmil](/molmil-images/mine/7wcw) | Crystal structure of FGFR4(V550L) kinase domain with 7v | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.317 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCT
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![BU of 7wct by Molmil](/molmil-images/mine/7wct) | Crystal structure of FGFR4 kinase domain with 7v | 分子名称: | Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ... | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.106 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
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7WCL
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![BU of 7wcl by Molmil](/molmil-images/mine/7wcl) | Crystal structure of FGFR1 kinase domain with Pemigatinib | 分子名称: | 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION | 著者 | Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.495 Å) | 主引用文献 | Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants. Commun Chem, 5, 2022
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7W7Y
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![BU of 7w7y by Molmil](/molmil-images/mine/7w7y) | The crystal structure of human abl1 kinase domain in complex with ABL2-A5 | 分子名称: | 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1 | 著者 | Zhu, C, Zhang, Z.M. | 登録日 | 2021-12-06 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.20003033 Å) | 主引用文献 | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase. Angew.Chem.Int.Ed.Engl., 61, 2022
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7W7X
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![BU of 7w7x by Molmil](/molmil-images/mine/7w7x) | The crystal structure of human abl1 kinase domain in complex with ABL1-A11 | 分子名称: | 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase ABL1 | 著者 | Zhu, C, Zhang, Z.M. | 登録日 | 2021-12-06 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.0000093 Å) | 主引用文献 | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase. Angew.Chem.Int.Ed.Engl., 61, 2022
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7VRE
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![BU of 7vre by Molmil](/molmil-images/mine/7vre) | The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 | 分子名称: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor | 著者 | Zhu, S.J. | 登録日 | 2021-10-22 | 公開日 | 2022-06-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.507 Å) | 主引用文献 | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J.Med.Chem., 65, 2022
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