6EP9

Crystal structure of BTK kinase domain complexed with N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide

Summary for 6EP9

Entry DOI	10.2210/pdb6ep9/pdb
Descriptor	Tyrosine-protein kinase BTK, N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide (3 entities in total)
Functional Keywords	kinase-inhibitor complex, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	33140.89
Authors	Kuglstatter, A.,Wong, A. (deposition date: 2017-10-11, release date: 2018-08-22, Last modification date: 2019-03-20)
Primary citation	Nittinger, E.,Gibbons, P.,Eigenbrot, C.,Davies, D.R.,Maurer, B.,Yu, C.L.,Kiefer, J.R.,Kuglstatter, A.,Murray, J.,Ortwine, D.F.,Tang, Y.,Tsui, V. Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J.Comput.Aided Mol.Des., 33:307-330, 2019 Cited by PubMed: 30756207 DOI: 10.1007/s10822-019-00187-y PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.01 Å)

Structure validation