3T9T

Crystal structure of BTK mutant (F435T,K596R) complexed with Imidazo[1,5-a]quinoxaline

Summary for 3T9T

Entry DOI	10.2210/pdb3t9t/pdb
Descriptor	Tyrosine-protein kinase ITK/TSK, (2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide, GLYCEROL, ... (4 entities in total)
Functional Keywords	kinase domain, alpha/beta, atp binding, phosphorylation, intracellular, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: Q08881
Total number of polymer chains	1
Total formula weight	31075.49
Authors	Han, S.,Caspers, N. (deposition date: 2011-08-03, release date: 2011-10-12, Last modification date: 2024-03-06)
Primary citation	Kim, K.H.,Maderna, A.,Schnute, M.E.,Hegen, M.,Mohan, S.,Miyashiro, J.,Lin, L.,Li, E.,Keegan, S.,Lussier, J.,Wrocklage, C.,Nickerson-Nutter, C.L.,Wittwer, A.J.,Soutter, H.,Caspers, N.,Han, S.,Kurumbail, R.,Dunussi-Joannopoulos, K.,Douhan, J.,Wissner, A. Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis. Bioorg.Med.Chem.Lett., 21:6258-6263, 2011 Cited by PubMed: 21958547 DOI: 10.1016/j.bmcl.2011.09.008 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.65 Å)

Structure validation