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) |
Structure validation
Download full validation report