9AXX

Crystal structure of BRAF/MEK1 complex with NST-628 and an active RAF dimer

This is a non-PDB format compatible entry.

Summary for 9AXX

• Entry DOI: 10.2210/pdb9axx/pdb
• Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Serine/threonine-protein kinase B-raf, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ... (8 entities in total)
• Functional Keywords: inhibitor, complex, signaling protein, transferase
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 4
• Total formula weight: 136090.30

Authors

Quade, B.,Huang, X. (deposition date: 2024-03-06, release date: 2024-04-17)

• Primary citation: Ryan, M.B.,Quade, B.,Schenk, N.,Fang, Z.,Zingg, M.,Cohen, S.E.,Swalm, B.M.,Li, C.,Ozen, A.,Ye, C.,Ritorto, M.S.,Huang, X.,Dar, A.C.,Han, Y.,Hoeflich, K.P.,Hale, M.,Hagel, M.; The pan-RAF-MEK non degrading molecular glue NST-628 is a potent and brain penetrant inhibitor of the RAS-MAPK pathway with activity across diverse RAS- and RAF-driven cancers.; Cancer Discov, 2024; PubMed: 38588399; DOI: 10.1158/2159-8290.CD-24-0139

Experimental method

X-RAY DIFFRACTION (2.07 Å)