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PDB: 317 件
4JR3
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Crystal structure of EGFR kinase domain in complex with compound 3g
分子名称: Epidermal growth factor receptor, N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]acetamide
著者Peng, Y.H, Wu, J.S.
登録日2013-03-21
公開日2013-06-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors
J.Med.Chem., 56, 2013
5FEE
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BU of 5fee by Molmil
EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor.
分子名称: Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
著者DiDonato, M, Spraggon, G.
登録日2015-12-16
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers.
J.Med.Chem., 59, 2016
5XDL
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BU of 5xdl by Molmil
Crystal structure of EGFR 696-1022 L858R 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, Zhu, S.J, 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 (2.7 Å)
主引用文献Structural basis of mutant-selectivity and drug-resistance related to CO-1686.
Oncotarget, 8, 2017
8TJL
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BU of 8tjl by Molmil
EGFR kinase in complex with pyrazolopyrimidine covalent inhibitor
分子名称: 1-{3-[(4-amino-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]azetidin-1-yl}propan-1-one, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2023-07-22
公開日2024-02-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ZNL0325, a Pyrazolopyrimidine-Based Covalent Probe, Demonstrates an Alternative Binding Mode for Kinases.
J.Med.Chem., 67, 2024
3LZB
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BU of 3lzb by Molmil
EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor
分子名称: Epidermal growth factor receptor, N-[3-(5-{2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
著者Swinger, K.K.
登録日2010-03-01
公開日2011-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases.
Bioorg.Med.Chem.Lett., 20, 2010
5CAL
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BU of 5cal by Molmil
EGFR kinase domain mutant "TMLR" with compound 24
分子名称: 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor
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 (2.7 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
6S89
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BU of 6s89 by Molmil
Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
著者Niggenaber, J, Mueller, M.P, Rauh, D.
登録日2019-07-09
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S.
Chem Sci, 10, 2019
2ITT
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BU of 2itt by Molmil
Crystal structure of EGFR kinase domain L858R mutation in complex with AEE788
分子名称: 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, EPIDERMAL GROWTH FACTOR RECEPTOR
著者Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J.
登録日2006-05-25
公開日2007-04-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity
Cancer Cell, 11, 2007
6S9C
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BU of 6s9c by Molmil
EGFR-KINASE IN COMPLEX WITH COMPOUND 5
分子名称: DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
著者Bader, G.
登録日2019-07-12
公開日2019-11-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
5CAV
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BU of 5cav by Molmil
EGFR kinase domain with compound 41a
分子名称: (1R)-1-{6-({2-[(3R,4S)-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
著者Eigenbrot, C, Yu, C.
登録日2015-06-30
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
4JQ7
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BU of 4jq7 by Molmil
Crystal structure of EGFR kinase domain in complex with compound 2a
分子名称: (2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol, Epidermal growth factor receptor
著者Peng, Y.H, Wu, J.S.
登録日2013-03-20
公開日2013-06-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors
J.Med.Chem., 56, 2013
2ITP
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BU of 2itp by Molmil
Crystal structure of EGFR kinase domain G719S mutation in complex with AEE788
分子名称: 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE, EPIDERMAL GROWTH FACTOR RECEPTOR PRECURSOR
著者Yun, C.-H, Boggon, T.J, Li, Y, Woo, S, Greulich, H, Meyerson, M, Eck, M.J.
登録日2006-05-25
公開日2007-04-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Structures of Lung Cancer-Derived Egfr Mutants and Inhibitor Complexes: Mechanism of Activation and Insights Into Differential Inhibitor Sensitivity
Cancer Cell, 11, 2007
8F1Y
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BU of 8f1y by Molmil
EGFR kinase in complex with poziotinib
分子名称: 1-[4-[4-[[3,4-bis(chloranyl)-2-fluoranyl-phenyl]amino]-7-methoxy-quinazolin-6-yl]oxypiperidin-1-yl]propan-1-one, CITRIC ACID, Epidermal growth factor receptor
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 (2.75 Å)
主引用文献EGFR kinase in complex with poziotinib
To be published
3QWQ
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BU of 3qwq by Molmil
Crystal structure of the extracellular domain of the epidermal growth factor receptor in complex with an adnectin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADNECTIN, ...
著者Sheriff, S.
登録日2011-02-28
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structures of adnectin/protein complexes reveal an expanded binding footprint.
Structure, 20, 2012
3UG1
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BU of 3ug1 by Molmil
Crystal structure of the mutated EGFR kinase domain (G719S/T790M) in the apo form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor
著者Parker, L.J, Handa, N, Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Yokoyama, S.
登録日2011-11-02
公開日2012-03-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.75 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
4HJO
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BU of 4hjo by Molmil
Crystal structure of the inactive EGFR tyrosine kinase domain with erlotinib
分子名称: Epidermal growth factor receptor, [6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-4-YL]-(3-ETHYNYLPHENYL)AMINE
著者Park, J.H, Lemmon, M.A.
登録日2012-10-13
公開日2012-11-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Erlotinib binds both inactive and active conformations of the EGFR tyrosine kinase domain.
Biochem.J., 448, 2012
8HVA
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BU of 8hva by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound compound 14
分子名称: Epidermal growth factor receptor, ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
著者Takahashi, M, Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
4RJ4
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BU of 4rj4 by Molmil
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
5EM6
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BU of 5em6 by Molmil
EGFR kinase domain mutant "TMLR" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
分子名称: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-11-05
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.
Acs Med.Chem.Lett., 7, 2016
6JRK
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BU of 6jrk by Molmil
The structure of co-crystals of 8r-B-EGFR WT complex
分子名称: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one, Epidermal growth factor receptor
著者Zhu, S.J, Yun, C.H.
登録日2019-04-04
公開日2020-04-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFRL858R/T790M/C797S).
J.Med.Chem., 62, 2019
5GMP
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BU of 5gmp by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with XTF-262
分子名称: Epidermal growth factor receptor, N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
著者Yan, X.E, Yun, C.H.
登録日2016-07-14
公開日2017-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.797 Å)
主引用文献A structure-guided optimization of pyrido[2,3-d]pyrimidin-7-ones as selective inhibitors of EGFR(L858R/T790M) mutant with improved pharmacokinetic properties.
Eur J Med Chem, 126, 2017
4ZAU
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BU of 4zau by Molmil
AZD9291 complex with wild type EGFR
分子名称: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M.
登録日2015-04-14
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
7ZYP
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Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, propan-2-yl 2-[[4-(4-azanylpiperidin-1-yl)-2-methoxy-phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
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 (2.8 Å)
主引用文献Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
3GOP
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BU of 3gop by Molmil
Crystal structure of the EGF receptor juxtamembrane and kinase domains
分子名称: Epidermal growth factor receptor
著者Choi, S.H, Alvarado, D, Moravcevic, K, Lemmon, M.A.
登録日2009-03-19
公開日2009-07-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The juxtamembrane region of the EGF receptor functions as an activation domain.
Mol.Cell, 34, 2009
5EM8
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BU of 5em8 by Molmil
EGFR kinase domain with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
分子名称: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide, Epidermal growth factor receptor
著者Eigenbrot, C, Yu, C.
登録日2015-11-05
公開日2015-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Pyridones as Highly Selective, Noncovalent Inhibitors of T790M Double Mutants of EGFR.
Acs Med.Chem.Lett., 7, 2016

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