4U6A

X-ray crystal structure of human TNKS in complex with a small molecule inhibitor

Summary for 4U6A

• Entry DOI: 10.2210/pdb4u6a/pdb
• Descriptor: Tankyrase-1, ZINC ION, 3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one, ... (6 entities in total)
• Functional Keywords: inhibitor, wnt signalling, transferase
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: O95271
• Total number of polymer chains: 1
• Total formula weight: 30442.60

Authors

Oliver, A.W. (deposition date: 2014-07-28, release date: 2015-07-08, Last modification date: 2023-12-20)

• Primary citation: Elliot, R.J.,Jarvis, A.,Rajasekaran, M.B.,Menon, M.,Bowers, L.,Boffey, R.,Bayford, M.,Firth-Clark, S.,Beevers, R.,Aquil, R.,Kirton, S.B.,Niculescu-Duvaz, D.,Fish, L.,Lopes, F.,McLeary, R.,Trindade, I.,Vendrell, E.,Munkonge, F.,Porter, R.,Perrior, T.,Springer, C.,Oliver, A.W.,Pearl, L.H.,Ashworth, A.,Lord, C.J.; Design and discovery of 3-aryl-5-substituted-isoquinolin-1- ones as potent and selective tankyrase inhibitors; To be published,

Experimental method

X-RAY DIFFRACTION (2.37 Å)