9XYV

Crystal structure of BTK kinase domain bound to ibrutinib

Summary for 9XYV

• Entry DOI: 10.2210/pdb9xyv/pdb
• Descriptor: Tyrosine-protein kinase BTK, 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, GLYCEROL, ... (5 entities in total)
• Functional Keywords: inhibitor, kinase, complex, covalent, transferase-transferase inhibitor complex, transferase
• Biological source: Mus musculus (house mouse)
• Total number of polymer chains: 1
• Total formula weight: 32696.58

Authors

Lin, D.Y.,Amatya, N.,Joseph, R.E.,Andreotti, A.H. (deposition date: 2025-08-26, release date: 2026-09-09)

• Primary citation: Lin, D.Y.,Joseph, R.E.,Andreotti, A.H.; Covalent warheads on clinically approved BTK inhibitors cause distinct dynamic changes within BTK kinase; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.37 Å)