7T4J

Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788

Summary for 7T4J

• Entry DOI: 10.2210/pdb7t4j/pdb
• Descriptor: 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, 1,2-ETHANEDIOL, ... (5 entities in total)
• Functional Keywords: kinase, inhibitor, covalent, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 76996.78

Authors

Skene, R.J.,Lane, W.,Hu, Y. (deposition date: 2021-12-10, release date: 2022-12-07, Last modification date: 2023-10-25)

• Primary citation: Huang, W.S.,Li, F.,Gong, Y.,Zhang, Y.,Youngsaye, W.,Xu, Y.,Zhu, X.,Greenfield, M.T.,Kohlmann, A.,Taslimi, P.M.,Toms, A.,Zech, S.G.,Zhou, T.,Das, B.,Jang, H.G.,Tugnait, M.,Ye, Y.E.,Gonzalvez, F.,Baker, T.E.,Nadworny, S.,Ning, Y.,Wardwell, S.D.,Zhang, S.,Gould, A.E.,Hu, Y.,Lane, W.,Skene, R.J.,Zou, H.,Clackson, T.,Narasimhan, N.I.,Rivera, V.M.,Dalgarno, D.C.,Shakespeare, W.C.; Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.; Bioorg.Med.Chem.Lett., 80:129084-129084, 2022; PubMed: 36423823; DOI: 10.1016/j.bmcl.2022.129084

Experimental method

X-RAY DIFFRACTION (2.2 Å)