9DU7

KEAP1 BTB domain in complex with the covalent activator VVD-065

This is a non-PDB format compatible entry.

Summary for 9DU7

• Entry DOI: 10.2210/pdb9du7/pdb
• Descriptor: Kelch-like ECH-associated protein 1, 1-{(3S)-3-[3-(4-amino-1,3,5-triazin-2-yl)-5-chlorophenyl]morpholin-4-yl}propan-1-one (3 entities in total)
• Functional Keywords: keap1, e3 ligase, protein binding
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 31282.90

Authors

Bernard, S.M. (deposition date: 2024-10-02, release date: 2024-10-23)

• Primary citation: Roy, N.,Wyseure, T.,Lo, I.C.,Metzger, J.,Eissler, C.L.,Bernard, S.M.,Bok, I.,Snead, A.N.,Parker, A.,Green, J.C.,Inloes, J.,Jacinto, S.R.,Kuenzi, B.,Horning, B.D.,Ibrahim, N.,Grabow, S.,Panda, H.,Bhatt, D.P.,Saeidi, S.,Zolkind, P.,Rush, Z.,Negri, K.,Williams, H.N.,Walton, E.,Pastuszka, M.K.,Sigler, J.J.,Tran, E.,Hee, K.,McLaughlin, J.,Ambrus-Aikelin, G.,Pollock, J.,Abraham, R.T.,Kinsella, T.M.,Simon, G.M.,Major, M.B.,Weinstein, D.S.,Patricelli, M.P.; Suppression of NRF2-dependent cancer growth by a covalent allosteric molecular glue; Biorxiv, 2024; DOI: 10.1101/2024.10.04.616592

Experimental method

X-RAY DIFFRACTION (1.867 Å)