6XVB
 
 | | Crystal structure of the kinase domain of human c-KIT with a cyclic imidate inhibitor covalently bound to Cys788 | | 分子名称: | Mast/stem cell growth factor receptor Kit,Mast/stem cell growth factor receptor Kit, ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | 著者 | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | 登録日 | 2020-01-21 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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6XR6
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6X8F
 | | Crystal structure of TYK2 with Compound 11 | | 分子名称: | Non-receptor tyrosine-protein kinase TYK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile | | 著者 | Vajdos, F.F, Knafels, J.D. | | 登録日 | 2020-06-01 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
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4R6V
 | | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations | | 分子名称: | Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION | | 著者 | Huang, Z, Mohammadi, M. | | 登録日 | 2014-08-26 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.353 Å) | | 主引用文献 | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4R1V
 | | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors | | 分子名称: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor | | 著者 | Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O. | | 登録日 | 2014-08-07 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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4R3P
 | | Crystal structures of EGFR in complex with Mig6 | | 分子名称: | Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1 | | 著者 | Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J. | | 登録日 | 2014-08-17 | | 公開日 | 2015-08-12 | | 最終更新日 | 2015-09-16 | | 実験手法 | X-RAY DIFFRACTION (2.905 Å) | | 主引用文献 | Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
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6XJK
 | | JAK2 JH2 in complex with JAK067 | | 分子名称: | 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide, Tyrosine-protein kinase JAK2 | | 著者 | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | | 登録日 | 2020-06-24 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.023508 Å) | | 主引用文献 | Explicit Representation of Cation-pi Interactions in Force Fields with 1/r4 Nonbonded Terms.
J Chem Theory Comput, 16, 2020
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8DWN
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4RIO
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6XVJ
 | | Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor | | 分子名称: | Vascular endothelial growth factor receptor 2, ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | | 著者 | Schimpl, M, McAuley, K, Hoyt, E.A, Thomas, M, Bodnarchuk, M.S, Lewis, H.J, Barratt, D, Deery, M.J, Ogg, D.J, Bernardes, G.J.L, Ward, R.A, Kettle, J.G, Waring, M.J. | | 登録日 | 2020-01-22 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.
J.Am.Chem.Soc., 142, 2020
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4RJ6
 | | EGFR kinase (T790M/L858R) with inhibitor compound 4 | | 分子名称: | Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-3H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2014-10-08 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
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4RJ4
 | | EGFR kinase (T790M/L858R) with inhibitor compound 6 | | 分子名称: | Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1-(propan-2-yl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2014-10-08 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
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4RJ5
 | | EGFR kinase (T790M/L858R) with inhibitor compound 5 | | 分子名称: | Epidermal growth factor receptor, N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2014-10-08 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
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4RJ8
 | | EGFR kinase (T790M/L858R) with inhibitor compound 8 | | 分子名称: | 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2014-10-08 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
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4RJ7
 | | EGFR kinase (T790M/L858R) with inhibitor compound 1 | | 分子名称: | 2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide, Epidermal growth factor receptor, SULFATE ION | | 著者 | Eigenbrot, C, Yu, C. | | 登録日 | 2014-10-08 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
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4RIW
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4RIY
 | | Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-E909G mutation | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ... | | 著者 | Littlefield, P, Liu, L, Jura, N. | | 登録日 | 2014-10-07 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.981 Å) | | 主引用文献 | Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
Sci.Signal., 7, 2014
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4RIX
 | | Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-Q790R mutation | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Epidermal growth factor receptor, MAGNESIUM ION, ... | | 著者 | Littlefield, P, Liu, L, Jura, N. | | 登録日 | 2014-10-07 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural analysis of the EGFR/HER3 heterodimer reveals the molecular basis for activating HER3 mutations.
Sci.Signal., 7, 2014
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6XFP
 | | Crystal Structure of BRAF kinase domain bound to Belvarafenib | | 分子名称: | 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide, CHLORIDE ION, Serine/threonine-protein kinase B-raf | | 著者 | Yin, J, Sudhamsu, J. | | 登録日 | 2020-06-16 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | ARAF mutations confer resistance to the RAF inhibitor belvarafenib in melanoma.
Nature, 594, 2021
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8EME
 | | EGFR(T790M/V948R) in complex with ZNL-0056 | | 分子名称: | Epidermal growth factor receptor, N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide | | 著者 | Beyett, T.S, Eck, M.J. | | 登録日 | 2022-09-27 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.32 Å) | | 主引用文献 | Molecular Bidents with Two Electrophilic Warheads as a New Pharmacological Modality
Acs Cent.Sci., 2024
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4RWL
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4TKS
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6XLO
 | | Crystal structure of bRaf in complex with inhibitor | | 分子名称: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide, IODIDE ION, Serine/threonine-protein kinase B-raf | | 著者 | Yin, J, Eigenbrot, C, Wang, W. | | 登録日 | 2020-06-28 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.493 Å) | | 主引用文献 | Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3 H )-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
J.Med.Chem., 64, 2021
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8FD9
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8FF0
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