3W2Q
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![BU of 3w2q by Molmil](/molmil-images/mine/3w2q) | EGFR kinase domain T790M/L858R mutant with HKI-272 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | 登録日 | 2012-12-03 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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6JRX
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![BU of 6jrx by Molmil](/molmil-images/mine/6jrx) | EGFR T790M/C797S in complex with compound 6i | 分子名称: | Epidermal growth factor receptor, N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide | 著者 | Zhu, S.J, Yun, C.H. | 登録日 | 2019-04-06 | 公開日 | 2020-04-15 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | 主引用文献 | Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors. J.Med.Chem., 63, 2020
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5CAU
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![BU of 5cau by Molmil](/molmil-images/mine/5cau) | EGFR kinase domain mutant "TMLR" with compound 41b | 分子名称: | (1R)-1-{6-({2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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3PFV
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![BU of 3pfv by Molmil](/molmil-images/mine/3pfv) | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide | 分子名称: | 1,2-ETHANEDIOL, 11-meric peptide from Epidermal growth factor receptor, CHLORIDE ION, ... | 著者 | Chaikuad, A, Guo, K, Cooper, C.D.O, Ayinampudi, V, Krojer, T, Muniz, J.R.C, Vollmar, M, Canning, P, Gileadi, O, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | 登録日 | 2010-10-29 | 公開日 | 2010-12-08 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Crystal structure of Cbl-b TKB domain in complex with EGFR pY1069 peptide To be Published
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8PO2
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![BU of 8po2 by Molmil](/molmil-images/mine/8po2) | |
7ZYN
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![BU of 7zyn by Molmil](/molmil-images/mine/7zyn) | Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | 登録日 | 2022-05-25 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines. Acs Med.Chem.Lett., 14, 2023
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7LTX
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![BU of 7ltx by Molmil](/molmil-images/mine/7ltx) | EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor | 分子名称: | (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Beyett, T.S, Eck, M.J. | 登録日 | 2021-02-20 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Quinazolinones as allosteric fourth-generation EGFR inhibitors for the treatment of NSCLC. Bioorg.Med.Chem.Lett., 68, 2022
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8GK5
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![BU of 8gk5 by Molmil](/molmil-images/mine/8gk5) | |
3BEL
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![BU of 3bel by Molmil](/molmil-images/mine/3bel) | X-ray structure of EGFR in complex with oxime inhibitor | 分子名称: | 4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime, Epidermal growth factor receptor, PHOSPHATE ION | 著者 | Abad, M.C, Xu, G, Neeper, M.P, Struble, G.T, Gaul, M.D, Connolly, P.J. | 登録日 | 2007-11-19 | 公開日 | 2008-07-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of novel 4-amino-6-arylaminopyrimidine-5-carbaldehyde oximes as dual inhibitors of EGFR and ErbB-2 protein tyrosine kinases. Bioorg.Med.Chem.Lett., 18, 2008
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8F1X
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![BU of 8f1x by Molmil](/molmil-images/mine/8f1x) | EGFR kinase in complex with mobocertinib (TAK-788) | 分子名称: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | 著者 | Beyett, T.S, Eck, M.J. | 登録日 | 2022-11-06 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | EGFR kinase in complex with mobocertinib (TAK-788) To be published
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6V5P
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![BU of 6v5p by Molmil](/molmil-images/mine/6v5p) | EGFR(T790M/V948R) in complex with LN2725 | 分子名称: | 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine, CHLORIDE ION, Epidermal growth factor receptor | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2019-12-04 | 公開日 | 2020-04-22 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors. J.Med.Chem., 63, 2020
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6JXT
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5D41
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![BU of 5d41 by Molmil](/molmil-images/mine/5d41) | EGFR kinase domain in complex with mutant selective allosteric inhibitor | 分子名称: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Yun, C.-H, Park, E, Eck, M.J. | 登録日 | 2015-08-07 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors. Nature, 534, 2016
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6LUB
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![BU of 6lub by Molmil](/molmil-images/mine/6lub) | Crystal Structure of EGFR(L858R/T790M/C797S) in complex with CH7233163 | 分子名称: | Epidermal growth factor receptor, N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine | 著者 | Kawauchi, H, Fukami, T.A, Sato, S, Endo, M, Torizawa, T, Kashima, K, Chiba, T, Sakamoto, H. | 登録日 | 2020-01-27 | 公開日 | 2020-10-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.315 Å) | 主引用文献 | CH7233163 Overcomes Osimertinib-Resistant EGFR-Del19/T790M/C797S Mutation. Mol.Cancer Ther., 19, 2020
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3VJN
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![BU of 3vjn by Molmil](/molmil-images/mine/3vjn) | Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in complex with AMPPNP. | 分子名称: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Semba, K, Yamamoto, T, Yokoyama, S. | 登録日 | 2011-10-27 | 公開日 | 2012-03-07 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor. Oncogene, 32, 2013
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5XDK
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![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
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3W2O
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![BU of 3w2o by Molmil](/molmil-images/mine/3w2o) | EGFR Kinase domain T790M/L858R Mutant with TAK-285 | 分子名称: | Epidermal growth factor receptor, N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | 著者 | Sogabe, S, Kawakita, Y, Igaki, S. | 登録日 | 2012-12-03 | 公開日 | 2013-01-16 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors. Acs Med.Chem.Lett., 4, 2013
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8UKW
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![BU of 8ukw by Molmil](/molmil-images/mine/8ukw) | |
8DSW
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![BU of 8dsw by Molmil](/molmil-images/mine/8dsw) | |
6P1D
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![BU of 6p1d by Molmil](/molmil-images/mine/6p1d) | Crystal structure of EGFR with mutant-selective dihydrodibenzodiazepinone allosteric inhibitor | 分子名称: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2019-05-19 | 公開日 | 2019-12-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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7KXZ
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![BU of 7kxz by Molmil](/molmil-images/mine/7kxz) | Active conformation of EGFR kinase in complex with BI-4020 | 分子名称: | (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one, CHLORIDE ION, Epidermal growth factor receptor | 著者 | Beyett, T.S, Eck, M.J. | 登録日 | 2020-12-06 | 公開日 | 2022-01-19 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Analysis of the Macrocyclic Inhibitor BI-4020 Binding to EGFR Kinase. Chemmedchem, 2024
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8D76
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![BU of 8d76 by Molmil](/molmil-images/mine/8d76) | Crystal Structure of EGFR LRTM with compound 24 | 分子名称: | (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol, Epidermal growth factor receptor, GLYCEROL | 著者 | Kim, J.L. | 登録日 | 2022-06-07 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer. J.Med.Chem., 65, 2022
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6WA2
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![BU of 6wa2 by Molmil](/molmil-images/mine/6wa2) | Crystal structure of EGFR(T790M/V948R) in complex with LN3753 | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-03-24 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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6WAK
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![BU of 6wak by Molmil](/molmil-images/mine/6wak) | A crystal structure of EGFR(T790M/V948R) in complex with LN3754 | 分子名称: | Epidermal growth factor receptor, MAGNESIUM ION, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, ... | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-03-25 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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7UKV
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![BU of 7ukv by Molmil](/molmil-images/mine/7ukv) | Wild type EGFR in complex with Lazertinib (YH25448) | 分子名称: | Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide | 著者 | Beyett, T.S, Pham, C, Eck, M.J, Heppner, D.E. | 登録日 | 2022-04-02 | 公開日 | 2022-11-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448). Acs Med.Chem.Lett., 13, 2022
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