8FLL

Crystal structure of BTK kinase domain in complex with pirtobrutinib

Summary for 8FLL

Entry DOI	10.2210/pdb8fll/pdb
Descriptor	Tyrosine-protein kinase BTK, pirtobrutinib, SULFATE ION, ... (6 entities in total)
Functional Keywords	btk inhibitor, transferase, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	32755.45
Authors	Cedervall, E.P.,Morales, T.H.,Allerston, C.K. (deposition date: 2022-12-21, release date: 2023-03-01, Last modification date: 2023-07-12)
Primary citation	Gomez, E.B.,Ebata, K.,Randeria, H.S.,Rosendahl, M.S.,Cedervall, E.P.,Morales, T.H.,Hanson, L.M.,Brown, N.E.,Gong, X.,Stephens, J.,Wu, W.,Lippincott, I.,Ku, K.S.,Walgren, R.A.,Abada, P.B.,Ballard, J.A.,Allerston, C.K.,Brandhuber, B.J. Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor. Blood, 142:62-72, 2023 Cited by PubMed: 36796019 DOI: 10.1182/blood.2022018674 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.498 Å)

Structure validation