5NA0

TTK kinase domain in complex with a PEG-linked pyrimido-indolizine

Summary for 5NA0

Entry DOI	10.2210/pdb5na0/pdb
Related	5N87
Descriptor	Dual specificity protein kinase TTK, ~{N}-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]-2-[[2-methoxy-4-[4-(2-methoxyethanoyl)piperazin-1-yl]phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide (3 entities in total)
Functional Keywords	kinase, inhibitor, mitosis, mps1, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	36971.17
Authors	Uitdehaag, J.,Willemsen-Seegers, N.,de Man, J.,Buijsman, R.C.,Zaman, G.J.R. (deposition date: 2017-02-27, release date: 2017-05-31, Last modification date: 2024-01-17)
Primary citation	Uitdehaag, J.C.M.,de Man, J.,Willemsen-Seegers, N.,Prinsen, M.B.W.,Libouban, M.A.A.,Sterrenburg, J.G.,de Wit, J.J.P.,de Vetter, J.R.F.,de Roos, J.A.D.M.,Buijsman, R.C.,Zaman, G.J.R. Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429:2211-2230, 2017 Cited by PubMed: 28539250 DOI: 10.1016/j.jmb.2017.05.014 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation