6N6O

Crystal structure of the human TTK in complex with an inhibitor

Summary for 6N6O

Entry DOI	10.2210/pdb6n6o/pdb
Related	6B4W
Descriptor	Dual specificity protein kinase TTK, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, PENTAETHYLENE GLYCOL, ... (5 entities in total)
Functional Keywords	protein kinase activity protein serine/threonine/tyrosine kinase activity atp binding protein phosphorylation mitotic cell cycle checkpoint chromosome separation, signaling protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	33783.12
Authors	Fenalti, G. (deposition date: 2018-11-26, release date: 2019-05-15, Last modification date: 2019-05-22)
Primary citation	Riggs, J.R.,Elsner, J.,Cashion, D.,Robinson, D.,Tehrani, L.,Nagy, M.,Fultz, K.E.,Krishna Narla, R.,Peng, X.,Tran, T.,Kulkarni, A.,Bahmanyar, S.,Condroski, K.,Pagarigan, B.,Fenalti, G.,LeBrun, L.,Leftheris, K.,Zhu, D.,Boylan, J.F. Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy. J.Med.Chem., 62:4401-4410, 2019 Cited by PubMed: 30998356 DOI: 10.1021/acs.jmedchem.8b01869 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.6 Å)

Structure validation