5SB1
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![BU of 5sb1 by Molmil](/molmil-images/mine/5sb1) | DDR1, 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.530A, P212121, Rfree=21.4% | 分子名称: | 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, SULFATE ION | 著者 | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | 登録日 | 2021-06-22 | 公開日 | 2022-06-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Crystal Structure of a DDR1 complex To be published
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5SB2
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![BU of 5sb2 by Molmil](/molmil-images/mine/5sb2) | DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.600A, P212121, Rfree=23.2% | 分子名称: | 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION | 著者 | Stihle, M, Richter, H, Benz, J, Kocer, B, Hochstrasser, R, Rudolph, M.G. | 登録日 | 2021-06-22 | 公開日 | 2022-06-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Crystal Structure of a DDR1 complex To be published
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5SAZ
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![BU of 5saz by Molmil](/molmil-images/mine/5saz) | DDR1, 3-chloro-N-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-(2-hydroxyethylamino)benzamide, 1.802A, P212121, Rfree=22.2% | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, CHLORIDE ION, ... | 著者 | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | 登録日 | 2021-06-22 | 公開日 | 2022-06-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of a DDR1 complex To be published
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5SAU
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![BU of 5sau by Molmil](/molmil-images/mine/5sau) | DDR1, 3-[2-(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, 1.800A, P212121, Rfree=23.1% | 分子名称: | 3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, Epithelial discoidin domain-containing receptor 1, MALONATE ION | 著者 | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | 登録日 | 2021-06-22 | 公開日 | 2022-06-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of a DDR1 complex To be published
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5SAW
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![BU of 5saw by Molmil](/molmil-images/mine/5saw) | DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.601A, P212121, Rfree=22.6% | 分子名称: | 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION | 著者 | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | 登録日 | 2021-06-22 | 公開日 | 2022-06-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.601 Å) | 主引用文献 | Crystal Structure of a DDR1 complex To be published
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5SAX
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![BU of 5sax by Molmil](/molmil-images/mine/5sax) | DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.902A, second P212121 form, Rfree=25.4%, second form | 分子名称: | 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION | 著者 | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | 登録日 | 2021-06-22 | 公開日 | 2022-06-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.902 Å) | 主引用文献 | Crystal Structure of a DDR1 complex To be published
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5SB0
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![BU of 5sb0 by Molmil](/molmil-images/mine/5sb0) | DDR1, N-[[2-(2-pyridin-3-yloxyethyl)cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide, 1.970A, P212121, Rfree=25.6% | 分子名称: | CHLORIDE ION, Epithelial discoidin domain-containing receptor 1, IODIDE ION, ... | 著者 | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | 登録日 | 2021-06-22 | 公開日 | 2022-06-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Crystal Structure of a DDR1 complex To be published
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5I9Y
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![BU of 5i9y by Molmil](/molmil-images/mine/5i9y) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with dasatinib | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.228 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5I9V
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![BU of 5i9v by Molmil](/molmil-images/mine/5i9v) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with AGS | 分子名称: | Ephrin type-A receptor 2, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.458 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5IA3
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![BU of 5ia3 by Molmil](/molmil-images/mine/5ia3) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with PD173955 | 分子名称: | 6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.788 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5I8A
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![BU of 5i8a by Molmil](/molmil-images/mine/5i8a) | TrkA with (6~{R})-3-methylsulfanyl-6-phenyl-1-(1~{H}-pyrazol-3-yl)-6,7-dihydro-5~{H}-thieno[3,4-c]pyridin-4-one | 分子名称: | (6R)-3-(methylsulfanyl)-6-phenyl-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one, ACETATE ION, CHLORIDE ION, ... | 著者 | Su, H.P. | 登録日 | 2016-02-18 | 公開日 | 2017-08-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Potent, selective and orally bioavailable leucine-rich repeat kinase 2 (LRRK2) inhibitors. Bioorg. Med. Chem. Lett., 26, 2016
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5I9X
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![BU of 5i9x by Molmil](/molmil-images/mine/5i9x) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with bosutinib (SKI-606) | 分子名称: | 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.427 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5I9W
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![BU of 5i9w by Molmil](/molmil-images/mine/5i9w) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with ANP | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.359 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5IA5
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![BU of 5ia5 by Molmil](/molmil-images/mine/5ia5) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with golvatinib (E7050) | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, golvatinib | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.776 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5IMX
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![BU of 5imx by Molmil](/molmil-images/mine/5imx) | |
5I9Z
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![BU of 5i9z by Molmil](/molmil-images/mine/5i9z) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with danusertib (PHA739358) | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5UG8
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![BU of 5ug8 by Molmil](/molmil-images/mine/5ug8) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | 分子名称: | Epidermal growth factor receptor, GLYCEROL, N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide, ... | 著者 | Gajiwala, K.S, Ferre, R.A. | 登録日 | 2017-01-07 | 公開日 | 2017-03-22 | 最終更新日 | 2017-04-26 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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5TQ3
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![BU of 5tq3 by Molmil](/molmil-images/mine/5tq3) | |
5U6B
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![BU of 5u6b by Molmil](/molmil-images/mine/5u6b) | Structure of the Axl kinase domain in complex with a macrocyclic inhibitor | 分子名称: | (10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, Tyrosine-protein kinase receptor UFO | 著者 | Gajiwala, K.S, Grodsky, N. | 登録日 | 2016-12-07 | 公開日 | 2017-07-26 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | The Axl kinase domain in complex with a macrocyclic inhibitor offers first structural insights into an active TAM receptor kinase. J. Biol. Chem., 292, 2017
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5ITA
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![BU of 5ita by Molmil](/molmil-images/mine/5ita) | Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM | 分子名称: | N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | 著者 | Wu, Y, Gavathiotis, E. | 登録日 | 2016-03-16 | 公開日 | 2016-08-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling Cancer Cell, 30, 2016
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5I9U
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![BU of 5i9u by Molmil](/molmil-images/mine/5i9u) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5IA2
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![BU of 5ia2 by Molmil](/molmil-images/mine/5ia2) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with compound 66 | 分子名称: | 1,2-ETHANEDIOL, 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.619 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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5SYS
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![BU of 5sys by Molmil](/molmil-images/mine/5sys) | c-Src V281C bound to N-[3-({6-[(1E)-2-cyano-3-(methylamino)-3-oxoprop-1-en-1-yl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide inhibitor | 分子名称: | N-[3-({6-[(2S)-2-cyano-3-(methylamino)-3-oxopropyl]-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethynyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Dieter, E.M, Merritt, E.A, Maly, D.J. | 登録日 | 2016-08-11 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions Mol.Cell, 2019
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5T18
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![BU of 5t18 by Molmil](/molmil-images/mine/5t18) | Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide | 分子名称: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK | 著者 | Muckelbauer, J.K. | 登録日 | 2016-08-18 | 公開日 | 2017-03-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers. J. Med. Chem., 59, 2016
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5T1S
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![BU of 5t1s by Molmil](/molmil-images/mine/5t1s) | Irak4 kinase - compound 1 co-structure | 分子名称: | 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4 | 著者 | Fischmann, T.O. | 登録日 | 2016-08-22 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg. Med. Chem. Lett., 27, 2017
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