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PDB: 20 件
6P1D
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BU of 6p1d by Molmil
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
6WA2
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BU of 6wa2 by Molmil
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
6WAK
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BU of 6wak by Molmil
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
6P1L
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BU of 6p1l by Molmil
Crystal structure of EGFR in complex with 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Heppner, D.E, Eck, M.J.
登録日2019-05-20
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6WXN
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BU of 6wxn by Molmil
EGFR(T790M/V948R) in complex with LN3844
分子名称: CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Heppner, D.E, Eck, M.J.
登録日2020-05-11
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 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
6XL4
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BU of 6xl4 by Molmil
EGFR(T790M/V948R) in complex with AZD9291 and DDC4002
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, Beyett, T.S, Eck, M.J.
登録日2020-06-28
公開日2021-06-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors.
Nat Commun, 13, 2022
6V5N
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EGFR(T790M/V948R) in complex with LN2084
分子名称: 3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]propan-1-ol, 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 (2.4 Å)
主引用文献Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6V6O
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BU of 6v6o by Molmil
EGFR(T790M/V948R) in complex with LN2380
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
著者Heppner, D.E, Eck, M.J.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6V6K
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EGFR(T790M/V948R) in complex with LN2057
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
著者Heppner, D.E, Eck, M.J.
登録日2019-12-05
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6VH4
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BU of 6vh4 by Molmil
Wild type EGFR in complex with LN2380
分子名称: Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
著者Heppner, D.E, Eck, M.J.
登録日2020-01-09
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6V66
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BU of 6v66 by Molmil
EGFR(T790M/V948R) in complex with LN2899
分子名称: 1,2-ETHANEDIOL, 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 (1.79 Å)
主引用文献Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6VHP
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BU of 6vhp by Molmil
Wild type EGFR in complex with LN2899
分子名称: Epidermal growth factor receptor, N-{3-[(4-{4-(4-fluorophenyl)-2-[(2-methoxyethyl)sulfanyl]-1H-imidazol-5-yl}pyridin-2-yl)amino]-4-methoxyphenyl}propanamide
著者Heppner, D.E, Eck, M.J.
登録日2020-01-10
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6V5P
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BU of 6v5p by Molmil
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
6VHN
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BU of 6vhn by Molmil
Wild type EGFR in complex with LN2057
分子名称: Epidermal growth factor receptor, N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
著者Heppner, D.E, Eck, M.J.
登録日2020-01-10
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
6P8Q
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BU of 6p8q by Molmil
EGFR in complex with a dihydrodibenzodiazepinone allosteric inhibitor.
分子名称: 1,2-ETHANEDIOL, 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, ADENOSINE MONOPHOSPHATE, ...
著者Yun, C.H, Heppner, D.E, Eck, M.J.
登録日2019-06-07
公開日2019-12-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
Acs Med.Chem.Lett., 10, 2019
7UKV
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BU of 7ukv by Molmil
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
7UKW
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BU of 7ukw by Molmil
EGFR(T790M/V948R) 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Pham, C.D, 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 (2.6 Å)
主引用文献Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448).
Acs Med.Chem.Lett., 13, 2022
8G63
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BU of 8g63 by Molmil
Ralimetinib (LY2228820) in complex with wild type EGFR
分子名称: Epidermal growth factor receptor, ralimetinib
著者Chitnis, S.P, Heppner, D.E.
登録日2023-02-14
公開日2023-10-11
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Inhibition of a lower potency target drives the anticancer activity of a clinical p38 inhibitor.
Cell Chem Biol, 30, 2023
8FV4
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EGFR(T790M/V948R) in complex with compound 2 (LN5993)
分子名称: Epidermal growth factor receptor, MAGNESIUM ION, N-{(3P)-3-[(4P)-4-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-5-yl]phenyl}-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine-9-carboxamide, ...
著者Ogboo, B.C, Beyett, T.S, Eck, M.J, Heppner, D.E.
登録日2023-01-18
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors.
Commun Chem, 7, 2024
8FV3
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EGFR(T790M/V948R) in complex with compound 1 (LN4503)
分子名称: Epidermal growth factor receptor, MAGNESIUM ION, N-{(4P)-4-[(4P)-5-{3-[(8-fluoro-11-oxo-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)methyl]phenyl}-2-(methylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl}acetamide, ...
著者Ogboo, B.C, Heppner, D.E.
登録日2023-01-18
公開日2024-01-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors.
Commun Chem, 7, 2024

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