7KXM

BTK1 SOAKED WITH COMPOUND 5, Y551 IS SEQUESTERED

Summary for 7KXM

Entry DOI	10.2210/pdb7kxm/pdb
Descriptor	Tyrosine-protein kinase BTK, 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide (3 entities in total)
Functional Keywords	protein kinase, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	32171.97
Authors	Gardberg, A. (deposition date: 2020-12-04, release date: 2021-05-19, Last modification date: 2023-10-18)
Primary citation	Qiu, H.,Ali, Z.,Bender, A.,Caldwell, R.,Chen, Y.Y.,Fang, Z.,Gardberg, A.,Glaser, N.,Goettsche, A.,Goutopoulos, A.,Grenningloh, R.,Hanschke, B.,Head, J.,Johnson, T.,Jones, C.,Jones, R.,Kulkarni, S.,Maurer, C.,Morandi, F.,Neagu, C.,Poetzsch, S.,Potnick, J.,Schmidt, R.,Roe, K.,Viacava Follis, A.,Wing, C.,Zhu, X.,Sherer, B. Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors. Bioorg.Med.Chem., 40:116163-116163, 2021 Cited by PubMed: 33932711 DOI: 10.1016/j.bmc.2021.116163 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.33 Å)

Structure validation