6B4W

TTK in Complex with Inhibitor

Summary for 6B4W

• Entry DOI: 10.2210/pdb6b4w/pdb
• Descriptor: Dual specificity protein kinase TTK, 4-{[4-(cyclopentyloxy)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino}-3-methoxy-N-methylbenzamide, CACODYLATE ION (3 entities in total)
• Functional Keywords: protein kinase, signaling protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 35522.46

Authors

Delker, S.,Chamberlain, P.P. (deposition date: 2017-09-27, release date: 2017-10-25, Last modification date: 2024-03-13)

• Primary citation: Riggs, J.R.,Nagy, M.,Elsner, J.,Erdman, P.,Cashion, D.,Robinson, D.,Harris, R.,Huang, D.,Tehrani, L.,Deyanat-Yazdi, G.,Narla, R.K.,Peng, X.,Tran, T.,Barnes, L.,Miller, T.,Katz, J.,Tang, Y.,Chen, M.,Moghaddam, M.F.,Bahmanyar, S.,Pagarigan, B.,Delker, S.,LeBrun, L.,Chamberlain, P.P.,Calabrese, A.,Canan, S.S.,Leftheris, K.,Zhu, D.,Boylan, J.F.; The Discovery of a Dual TTK Protein Kinase/CDC2-Like Kinase (CLK2) Inhibitor for the Treatment of Triple Negative Breast Cancer Initiated from a Phenotypic Screen.; J. Med. Chem., 60:8989-9002, 2017; PubMed: 28991472; DOI: 10.1021/acs.jmedchem.7b01223

Experimental method

X-RAY DIFFRACTION (2.9 Å)