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5EI6

Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach

Summary for 5EI6
Entry DOI10.2210/pdb5ei6/pdb
Related5EH0
DescriptorDual specificity protein kinase TTK, ~{N}-(2,4-dimethoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywordsspindle assembly checkpoint (sac), oncology target pyrido[3, 4-d]pyrimidine based inhibitors selective against mps1, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight36631.93
Authors
Primary citationInnocenti, P.,Woodward, H.L.,Solanki, S.,Naud, S.,Westwood, I.M.,Cronin, N.,Hayes, A.,Roberts, J.,Henley, A.T.,Baker, R.,Faisal, A.,Mak, G.W.,Box, G.,Valenti, M.,De Haven Brandon, A.,O'Fee, L.,Saville, H.,Schmitt, J.,Matijssen, B.,Burke, R.,van Montfort, R.L.,Raynaud, F.I.,Eccles, S.A.,Linardopoulos, S.,Blagg, J.,Hoelder, S.
Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59:3671-3688, 2016
Cited by
PubMed: 27055065
DOI: 10.1021/acs.jmedchem.5b01811
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.01 Å)
Structure validation

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