7PCD

HER2 IN COMPLEX WITH A COVALENT INHIBITOR

Summary for 7PCD

• Entry DOI: 10.2210/pdb7pcd/pdb
• Descriptor: Receptor tyrosine-protein kinase erbB-2, 1-[4-[4-[[3,5-bis(chloranyl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]amino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]-4-(3-fluoranylazetidin-1-yl)butan-1-one (3 entities in total)
• Functional Keywords: her2, covalent inhibitor, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 37621.14

Authors

Bader, G. (deposition date: 2021-08-03, release date: 2022-07-27, Last modification date: 2024-01-31)

• Primary citation: Wilding, B.,Scharn, D.,Bose, D.,Baum, A.,Santoro, V.,Chetta, P.,Schnitzer, R.,Botesteanu, D.A.,Reiser, C.,Kornigg, S.,Knesl, P.,Hormann, A.,Koferle, A.,Corcokovic, M.,Lieb, S.,Scholz, G.,Bruchhaus, J.,Spina, M.,Balla, J.,Peric-Simov, B.,Zimmer, J.,Mitzner, S.,Fett, T.N.,Beran, A.,Lamarre, L.,Gerstberger, T.,Gerlach, D.,Bauer, M.,Bergner, A.,Schlattl, A.,Bader, G.,Treu, M.,Engelhardt, H.,Zahn, S.,Fuchs, J.E.,Zuber, J.,Ettmayer, P.,Pearson, M.,Petronczki, M.,Kraut, N.,McConnell, D.B.,Solca, F.,Neumuller, R.A.; Discovery of potent and selective HER2 inhibitors with efficacy against HER2 exon 20 insertion-driven tumors, which preserve wild-type EGFR signaling.; Nat Cancer, 3:821-836, 2022; PubMed: 35883003; DOI: 10.1038/s43018-022-00412-y

Experimental method

X-RAY DIFFRACTION (1.77 Å)