7LQD

Structure of Human MPS1 (TTK) covalently bound to RMS-07 inhibitor

Summary for 7LQD

Entry DOI	10.2210/pdb7lqd/pdb
Descriptor	Dual specificity protein kinase TTK or monopolar spindle 1 kinase, ~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide, GLYCEROL, ... (5 entities in total)
Functional Keywords	protein kinase, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	37346.69
Authors	Santiago, A.S.,dos Reis, C.V.,Serafim, R.A.M.,Massirer, K.B.,Arruda, P.,Edwards, A.M.,Counago, R.M.,Structural Genomics Consortium (SGC) (deposition date: 2021-02-13, release date: 2022-02-16, Last modification date: 2023-10-18)
Primary citation	M Serafim, R.A.,da Silva Santiago, A.,Schwalm, M.P.,Hu, Z.,Dos Reis, C.V.,Takarada, J.E.,Mezzomo, P.,Massirer, K.B.,Kudolo, M.,Gerstenecker, S.,Chaikuad, A.,Zender, L.,Knapp, S.,Laufer, S.,Counago, R.M.,Gehringer, M. Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor. J.Med.Chem., 65:3173-3192, 2022 Cited by PubMed: 35167750 DOI: 10.1021/acs.jmedchem.1c01165 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation