8U2E
| Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide | 分子名称: | (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Gajewski, S, Clifton, M.C. | 登録日 | 2023-09-05 | 公開日 | 2024-01-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies. J.Med.Chem., 67, 2024
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8U2D
| Bruton's tyrosine kinase in complex with N-[(2R)-1-[(3R)-3-(methylcarbamoyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl]-3-(3-methylphenyl)-1-oxopropan-2-yl]-1H-indazole-5-carboxamide | 分子名称: | (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Gajewski, S, Clifton, M.C. | 登録日 | 2023-09-05 | 公開日 | 2024-01-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of NX-2127, an Orally Bioavailable Degrader of Bruton's Tyrosine Kinase with Immunomodulatory Activity for the Treatment of Patients with B Cell Malignancies. J.Med.Chem., 67, 2024
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8QQG
| Structure of BRAF in Complex With Exarafenib (KIN-2787). | 分子名称: | (3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | 著者 | Schmitt, A, Costanzi, E, Kania, R, Chen, Y.K. | 登録日 | 2023-10-04 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.979 Å) | 主引用文献 | Structure of BRAF in Complex With Exarafenib (KIN-2787). To Be Published
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7DV6
| Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor (TGF-beta RII) Inhibitors as Anti-Fibrosis Agents | 分子名称: | 5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine, TGF-beta receptor type-2 | 著者 | Nishihata, J, Nomura, A, Miwa, S, Doi, S, Adachi, T. | 登録日 | 2021-01-12 | 公開日 | 2021-06-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Discovery of Selective Transforming Growth Factor beta Type II Receptor Inhibitors as Antifibrosis Agents. Acs Med.Chem.Lett., 12, 2021
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8UDV
| The X-RAY co-crystal structure of human FGFR3 V555M and Compound 17 | 分子名称: | 1,2-ETHANEDIOL, 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, 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 (2.348 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
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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
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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
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7DUA
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7DU9
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8TJL
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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
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8STG
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8R7G
| Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | 分子名称: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | 著者 | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | 登録日 | 2023-11-24 | 公開日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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8S3X
| LIM Domain Kinase 2 (LIMK2) bound to compound 52 | 分子名称: | 4-(5-cyclopropyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-~{N}-[3-(3-methoxyphenyl)phenyl]-3,6-dihydro-2~{H}-pyridine-1-carboxamide, LIM domain kinase 2 | 著者 | Mathea, S, Chatterjee, D, Preuss, F, Ple, K, Knapp, S. | 登録日 | 2024-02-20 | 公開日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | 主引用文献 | LIM Domain Kinase 2 (LIMK2) bound to compound 52 To Be Published
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7C3G
| Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | 分子名称: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | 著者 | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | 登録日 | 2020-05-12 | 公開日 | 2021-03-03 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.802 Å) | 主引用文献 | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva. Bioorg.Med.Chem.Lett., 38, 2021
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7FEH
| Crystal structure of human DDR1 in complex with CH5541127 | 分子名称: | Epithelial discoidin domain-containing receptor 1, N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide, NITRATE ION | 著者 | Fukami, T.A, Kadono, S, Matsuura, T. | 登録日 | 2021-07-20 | 公開日 | 2022-07-27 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Novel potent and highly selective DDR1 inhibitors from integrated lead finding Medicinal Chemistry Research, 32, 2023
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7F7W
| JAK2-JH2 | 分子名称: | 2-((1-(2-fluoro-4-((4-(1-isopropyl-1H-pyrazol-4-yl)-5-methylpyrimidin-2-yl)amino)phenyl)piperidin-4-yl)(methyl)amino)ethan-1-ol, Tyrosine-protein kinase JAK2 | 著者 | Niu, L. | 登録日 | 2021-06-30 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Preclinical studies of Flonoltinib Maleate, a novel JAK2/FLT3 inhibitor, in treatment of JAK2 V617F -induced myeloproliferative neoplasms. Blood Cancer J, 12, 2022
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7ER2
| Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40 | 分子名称: | 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine, Epidermal growth factor receptor | 著者 | Zhu, S.J, Yun, C.H. | 登録日 | 2021-05-05 | 公開日 | 2022-04-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.662 Å) | 主引用文献 | Optimization of Brigatinib as New Wild-Type Sparing Inhibitors of EGFR T790M/C797S Mutants. Acs Med.Chem.Lett., 13, 2022
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7F3M
| Crystal structure of FGFR4 kinase domain with PRN1371 | 分子名称: | 6-[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]pyrido[2,3-d]pyrimidin-7-one, Fibroblast growth factor receptor 4, SULFATE ION | 著者 | Chen, X.J, Qu, L.Z, Dai, S.Y, Wei, H.D, Chen, Y.H. | 登録日 | 2021-06-16 | 公開日 | 2022-01-12 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.289 Å) | 主引用文献 | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors Commun Chem, 5, 2022
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7FCZ
| Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | 分子名称: | N-[(3S)-7-(2-cyclopropylethynyl)-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2021-07-15 | 公開日 | 2022-01-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7FD0
| Crystal Structure of human RIPK1 kinase domain in complex with a novel inhibitor | 分子名称: | N-[(3S)-5-methyl-7-[2-(oxan-4-yl)ethynyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-4H-1,2,4-triazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Su, H.X, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | 登録日 | 2021-07-15 | 公開日 | 2022-01-19 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Potent and Selective RIPK1 Inhibitors Targeting Dual-Pockets for the Treatment of Systemic Inflammatory Response Syndrome and Sepsis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7D57
| C-Src in complex with FIIN-2 | 分子名称: | N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION | 著者 | Chen, Y.H, Qu, L.Z. | 登録日 | 2020-09-25 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.104 Å) | 主引用文献 | Structural insights into the potency and selectivity of covalent pan-FGFR inhibitors Commun Chem, 5, 2022
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7C2V
| Crystal Structure of IRAK4 kinase in complex with the inhibitor CA-4948 | 分子名称: | 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide, Interleukin-1 receptor-associated kinase 4 | 著者 | Krishnamurthy, N.R, Robert, B. | 登録日 | 2020-05-09 | 公開日 | 2020-11-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies. Acs Med.Chem.Lett., 11, 2020
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7C2W
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7C3N
| Crystal structure of JAK3 in complex with Delgocitinib | 分子名称: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | 著者 | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | 登録日 | 2020-05-13 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders. J.Med.Chem., 63, 2020
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