6CQ5
| TBK1 in Complex with Sulfone Analog of Amlexanox | 分子名称: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2018-03-14 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.354 Å) | 主引用文献 | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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5W5V
| TBK1 co-crystal structure with amlexanox | 分子名称: | 2-amino-7-(1-methylethyl)-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2017-06-15 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.645 Å) | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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6O5G
| Calmodulin in complex with isomalbrancheamide D | 分子名称: | (5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one, CALCIUM ION, Calmodulin-1, ... | 著者 | Beyett, T.S, Fraley, A.E, Tesmer, J.J.G. | 登録日 | 2019-03-02 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Perturbation of the interactions of calmodulin with GRK5 using a natural product chemical probe. Proc.Natl.Acad.Sci.USA, 116, 2019
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6CQ4
| TBK1 in Complex with Cyclohexyl Analog of Amlexanox | 分子名称: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2018-03-14 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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6CQ0
| TBK1 in Complex with Dimethyl Amino Analog of Amlexanox | 分子名称: | 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2018-03-14 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | 主引用文献 | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
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6EEB
| Calmodulin in complex with malbrancheamide | 分子名称: | (5aS,12aS,13aS)-8,9-dichloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CALCIUM ION, Calmodulin-1, ... | 著者 | Beyett, T.S, Fraley, A.E, Tesmer, J.J.G. | 登録日 | 2018-08-13 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Perturbation of the interactions of calmodulin with GRK5 using a natural product chemical probe. Proc.Natl.Acad.Sci.USA, 116, 2019
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8GK5
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8GB4
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6BOE
| TBK1 in complex with amide-coupled tetrazole analog of amlexanox | 分子名称: | 2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2017-11-19 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.598 Å) | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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6BNY
| TBK1 in complex with tetrazole analog of amlexanox | 分子名称: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1 | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2017-11-17 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.341 Å) | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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6BOD
| TBK1 in complex with ethyl ester analog of amlexanox | 分子名称: | Serine/threonine-protein kinase TBK1, ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate | 著者 | Beyett, T.S, Tesmer, J.J.G. | 登録日 | 2017-11-19 | 公開日 | 2018-09-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.197 Å) | 主引用文献 | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
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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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7KY0
| 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
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7LG8
| 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
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8F1Z
| EGFR kinase in complex with Bayer #33 | 分子名称: | (2P)-3-(3-chloro-2-methoxyanilino)-2-[3-(2-methoxy-2-methylpropoxy)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-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 (2.4 Å) | 主引用文献 | EGFR kinase in complex with Bayer #33 To be published
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8F1Y
| 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
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8F1H
| EGFR kinase in complex with TAS6417 (CLN-081) | 分子名称: | CITRIC ACID, Epidermal growth factor receptor, N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide | 著者 | Beyett, T.S, Eck, M.J. | 登録日 | 2022-11-05 | 公開日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | EGFR kinase in complex with TAS6417 (CLN-081) To be published
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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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8F1W
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7JXL
| 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
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7JXP
| EGFR kinase (T790M/V948R) in complex with osimertinib 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 (2.16 Å) | 主引用文献 | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors Nat Commun, 13, 2022
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7JXM
| 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
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7K1I
| 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
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7JXK
| 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
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7K1H
| 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
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