6TG1

Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b

Summary for 6TG1

Entry DOI	10.2210/pdb6tg1/pdb
Descriptor	Epidermal growth factor receptor, ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide, 1,2-ETHANEDIOL, ... (6 entities in total)
Functional Keywords	her2, egfr, covalent inhibitors, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	77954.73
Authors	Niggenaber, J.,Mueller, M.P.,Rauh, D. (deposition date: 2019-11-14, release date: 2020-09-30, Last modification date: 2024-01-24)
Primary citation	Lategahn, J.,Hardick, J.,Grabe, T.,Niggenaber, J.,Jeyakumar, K.,Keul, M.,Tumbrink, H.L.,Becker, C.,Hodson, L.,Kirschner, T.,Klovekorn, P.,Ketzer, J.,Baumann, M.,Terheyden, S.,Unger, A.,Weisner, J.,Muller, M.P.,van Otterlo, W.A.L.,Bauer, S.,Rauh, D. Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63:11725-11755, 2020 Cited by PubMed: 32931277 DOI: 10.1021/acs.jmedchem.0c00870 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation