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PDB: 171 件
7JXM
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EGFR kinase (T790M/V948R) in complex with osimertinib and EAI045
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Beyett, T.S, Eck, M.J.
登録日2020-08-27
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022
7JXL
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EGFR kinase (T790M/V948R) in complex with AZ5104
分子名称: Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)propanamide
著者Beyett, T.S, Eck, M.J.
登録日2020-08-27
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022
7JXK
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EGFR kinase (T790M/V948R) in complex with PF-06747775 and JBJ-04-125-02
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Beyett, T.S, Eck, M.J.
登録日2020-08-27
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022
7K1I
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EGFR kinase (L858R/V948R) in complex with allosteric inhibitor JBJ-09-063
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Beyett, T.S, Eck, M.J.
登録日2020-09-07
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.202 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022
7K1H
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EGFR L858R/V948R in complex with osimertinib and allosteric inhibitor JBJ-09-063
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, 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Beyett, T.S, Eck, M.J.
登録日2020-09-07
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors
Nat Commun, 13, 2022
7KXZ
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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
7KY0
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Inactive conformation of EGFR (T790M/V948R) 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, 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 (3.1 Å)
主引用文献Structural Analysis of the Macrocyclic Inhibitor BI-4020 Binding to EGFR Kinase.
Chemmedchem, 2024
7M0Y
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Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Trametinib
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
登録日2021-03-11
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0Z
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Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and CH5126766
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide, ...
著者Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
登録日2021-03-11
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0V
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Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Cobimetinib
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
登録日2021-03-11
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0W
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BU of 7m0w by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Pimasertib
分子名称: Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide, ...
著者Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
登録日2021-03-11
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0X
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Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and PD0325901
分子名称: CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, GLYCEROL, ...
著者Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
登録日2021-03-11
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0U
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Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Binimetinib
分子名称: 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
登録日2021-03-11
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7M0T
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BU of 7m0t by Molmil
Crystal structure of the BRAF:MEK1 kinases in complex with AMPPNP and Selumetinib
分子名称: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ...
著者Li, K, Gonzalez Del-Pino, G, Ha, B.H, Park, E, Eck, M.J.
登録日2021-03-11
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Allosteric MEK inhibitors act on BRAF/MEK complexes to block MEK activation.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LTX
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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
7LG8
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EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2021-01-19
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors.
Nat Commun, 13, 2022
7MYX
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Crystal structure of the PH domain (R86A) of Akt1
分子名称: RAC-alpha serine/threonine-protein kinase
著者Bae, H, Park, E, Cole, P.A, Eck, M.J.
登録日2021-05-22
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献PH domain-mediated autoinhibition and oncogenic activation of Akt.
Elife, 11, 2022
2IUH
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BU of 2iuh by Molmil
Crystal structure of the PI3-kinase p85 N-terminal SH2 domain in complex with c-Kit phosphotyrosyl peptide
分子名称: C-KIT PHOSPHOTYROSYL PEPTIDE, PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY ALPHA SUBUNIT
著者Nolte, R.T, Eck, M.J, Schlessinger, J, Shoelson, S.E, Harrison, S.C.
登録日2006-06-03
公開日2006-06-06
最終更新日2021-04-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Pi 3-Kinase P85 Amino-Terminal Sh2 Domain and its Phosphopeptide Complexes
Nat.Struct.Biol., 3, 1996
2IUG
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Crystal structure of the PI3-kinase p85 N-terminal SH2 domain
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY ALPHA SUBUNIT
著者Nolte, R.T, Eck, M.J, Schlessinger, J, Shoelson, S.E, Harrison, S.C.
登録日2006-06-03
公開日2006-06-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal Structure of the Pi 3-Kinase P85 Amino-Terminal Sh2 Domain and its Phosphopeptide Complexes
Nat.Struct.Biol., 3, 1996
2IUI
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Crystal structure of the PI3-kinase p85 N-terminal SH2 domain in complex with PDGFR phosphotyrosyl peptide
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Platelet-derived growth factor receptor beta
著者Nolte, R.T, Eck, M.J, Schlessinger, J, Shoelson, S.E, Harrison, S.C.
登録日2006-06-03
公開日2006-06-06
最終更新日2021-04-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Pi 3-Kinase P85 Amino- Terminal Sh2 Domain and its Phosphopeptide Complexes
Nat.Struct.Biol., 3, 1996
2ITT
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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
2ITO
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BU of 2ito by Molmil
Crystal structure of EGFR kinase domain G719S mutation in complex with Iressa
分子名称: EPIDERMAL GROWTH FACTOR RECEPTOR, Gefitinib
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2024-03-27
実験手法X-RAY DIFFRACTION (3.25 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
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
2ITZ
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BU of 2itz by Molmil
Crystal structure of EGFR kinase domain L858R mutation in complex with Iressa
分子名称: CHLORIDE ION, EPIDERMAL GROWTH FACTOR RECEPTOR, Gefitinib
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2024-03-27
実験手法X-RAY DIFFRACTION (2.8 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
2ITV
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Crystal structure of EGFR kinase domain L858R mutation in complex with AMP-PNP
分子名称: EPIDERMAL GROWTH FACTOR RECEPTOR, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
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 (2.47 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

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