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: 2024-05-08) |
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: 30756207DOI: 10.1007/s10822-019-00187-y PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.01 Å) |
Structure validation
Download full validation report