4YHF

Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor

Summary for 4YHF

• Entry DOI: 10.2210/pdb4yhf/pdb
• Descriptor: Tyrosine-protein kinase BTK, (2S)-2-({(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}carbonyl)-4,4-dimethylpentanenitrile, SODIUM ION, ... (7 entities in total)
• Functional Keywords: covalent inhibitor, cyanoacrylamide, cysteine, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 67169.96

Authors

Paavilainen, V.O.,McFarland, J.M.,Taunton, J. (deposition date: 2015-02-27, release date: 2015-05-13, Last modification date: 2024-01-10)

• Primary citation: Bradshaw, J.M.,McFarland, J.M.,Paavilainen, V.O.,Bisconte, A.,Tam, D.,Phan, V.T.,Romanov, S.,Finkle, D.,Shu, J.,Patel, V.,Ton, T.,Li, X.,Loughhead, D.G.,Nunn, P.A.,Karr, D.E.,Gerritsen, M.E.,Funk, J.O.,Owens, T.D.,Verner, E.,Brameld, K.A.,Hill, R.J.,Goldstein, D.M.,Taunton, J.; Prolonged and tunable residence time using reversible covalent kinase inhibitors.; Nat.Chem.Biol., 11:525-531, 2015; PubMed: 26006010; DOI: 10.1038/nchembio.1817

Experimental method

X-RAY DIFFRACTION (2.2 Å)