9ZLJ

Crystal structure of BTK kinase domain bound to compound YS1

This is a non-PDB format compatible entry.

Summary for 9ZLJ

• Entry DOI: 10.2210/pdb9zlj/pdb
• Descriptor: Tyrosine-protein kinase BTK, N-{(1r,4r)-4-[2-(4-chlorophenoxy)acetamido]cyclohexyl}-N-[2-(4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide, IMIDAZOLE, ... (4 entities in total)
• Functional Keywords: inhibitor, kinase, transferase-transferase inhibitor complex, transferase, transferase/transferase inhibitor
• Biological source: Mus musculus (house mouse)
• Total number of polymer chains: 1
• Total formula weight: 32811.08

Authors

Lin, D.Y.,Shamir, Y.,Gaibzon, R.,Rogel, A.,Andreotti, A.H.,London, N. (deposition date: 2025-12-08, release date: 2026-02-25)

• Primary citation: Shamir, Y.,Gaibzon, R.,Rogel, A.,Lin, D.Y.,Andreotti, A.H.,London, N.; Discovery of covalent ligands with AlphaFold3; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.6 Å)