5ZZ4

Crystal structure of bruton's tyrosine kinase in complex with inhibitor 2e

Summary for 5ZZ4

Entry DOI	10.2210/pdb5zz4/pdb
Descriptor	Tyrosine-protein kinase BTK, N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide (2 entities in total)
Functional Keywords	protein kinase, inhibitor complex, non-covalent, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	6
Total formula weight	190467.55
Authors	Kawahata, W.,Asami, T.,Irie, T.,Kiyoi, T.,Taniguchi, H.,Asamitsu, Y.,Inoue, T.,Miyake, T.,Sawa, M. (deposition date: 2018-05-30, release date: 2018-09-26, Last modification date: 2023-11-22)
Primary citation	Kawahata, W.,Asami, T.,Kiyoi, T.,Irie, T.,Taniguchi, H.,Asamitsu, Y.,Inoue, T.,Miyake, T.,Sawa, M. Design and Synthesis of Novel Amino-triazine Analogues as Selective Bruton's Tyrosine Kinase Inhibitors for Treatment of Rheumatoid Arthritis. J. Med. Chem., 61:8917-8933, 2018 Cited by PubMed: 30216722 DOI: 10.1021/acs.jmedchem.8b01147 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation