6S89

Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g

Summary for 6S89

Entry DOI	10.2210/pdb6s89/pdb
Descriptor	Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID (3 entities in total)
Functional Keywords	egfr, t790m/c797s, covalent pyrrolopyrimide, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	38409.47
Authors	Niggenaber, J.,Mueller, M.P.,Rauh, D. (deposition date: 2019-07-09, release date: 2019-10-16, Last modification date: 2024-01-24)
Primary citation	Lategahn, J.,Keul, M.,Klovekorn, P.,Tumbrink, H.L.,Niggenaber, J.,Muller, M.P.,Hodson, L.,Flasshoff, M.,Hardick, J.,Grabe, T.,Engel, J.,Schultz-Fademrecht, C.,Baumann, M.,Ketzer, J.,Muhlenberg, T.,Hiller, W.,Gunther, G.,Unger, A.,Muller, H.,Heimsoeth, A.,Golz, C.,Blank-Landeshammer, B.,Kollipara, L.,Zahedi, R.P.,Strohmann, C.,Hengstler, J.G.,van Otterlo, W.A.L.,Bauer, S.,Rauh, D. Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10:10789-10801, 2019 Cited by PubMed: 31857889 DOI: 10.1039/c9sc03445e PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.701 Å)

Structure validation