7L5P

Crystal structure of the covalently bonded complex of rilzabrutinib with BTK

Summary for 7L5P

• Entry DOI: 10.2210/pdb7l5p/pdb
• Descriptor: Tyrosine-protein kinase BTK, (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile, SULFATE ION, ... (5 entities in total)
• Functional Keywords: protein kinase inhibitor, transferase-transferase inhibitor complex, transferase, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 64940.42

Authors

Bradshaw, J.M.,Brameld, K.A.,Mrosek, M.,Lammens, A.,Blaesse, M. (deposition date: 2020-12-22, release date: 2022-06-29, Last modification date: 2024-04-03)

• Primary citation: Owens, T.D.; The Discovery Rilzabrutinib (PRN1008): A Reversible Covalent BTK Inhibitor for Immune Mediated Diseases; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.14 Å)