4OTQ

Crystal structure of BTK kinase domain complexed with 1-[5-[3-(7-tert-butyl-4-oxo-quinazolin-3-yl)-2-methyl-phenyl]-1-methyl-2-oxo-3-pyridyl]-3-methyl-urea

Summary for 4OTQ

Entry DOI	10.2210/pdb4otq/pdb
Related	4OT5 4OT6 4OTR
Descriptor	Tyrosine-protein kinase BTK, 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywords	transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	33148.95
Authors	Kuglstatter, A.,Wong, A. (deposition date: 2014-02-14, release date: 2014-05-14, Last modification date: 2023-09-20)
Primary citation	Lou, Y.,Han, X.,Kuglstatter, A.,Kondru, R.K.,Sweeney, Z.K.,Soth, M.,McIntosh, J.,Litman, R.,Suh, J.,Kocer, B.,Davis, D.,Park, J.,Frauchiger, S.,Dewdney, N.,Zecic, H.,Taygerly, J.P.,Sarma, K.,Hong, J.,Hill, R.J.,Gabriel, T.,Goldstein, D.M.,Owens, T.D. Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis. J.Med.Chem., 58:512-516, 2015 Cited by PubMed: 24712864 DOI: 10.1021/jm500305p PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.55 Å)

Structure validation