4LI8
TANKYRASE-1 complexed with small molecule inhibitor 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide
Summary for 4LI8
Entry DOI | 10.2210/pdb4li8/pdb |
Related | 4LI6 4LI7 |
Descriptor | Tankyrase-1, ZINC ION, 2-[4-(4-fluorobenzoyl)piperidin-1-yl]-N-[(4-oxo-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)acetamide, ... (5 entities in total) |
Functional Keywords | transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Cytoplasm: O95271 |
Total number of polymer chains | 2 |
Total formula weight | 52383.71 |
Authors | Kirby, C.A.,Stams, T. (deposition date: 2013-07-02, release date: 2013-08-14, Last modification date: 2024-02-28) |
Primary citation | Shultz, M.D.,Cheung, A.K.,Kirby, C.A.,Firestone, B.,Fan, J.,Chen, C.H.,Chen, Z.,Chin, D.N.,Dipietro, L.,Fazal, A.,Feng, Y.,Fortin, P.D.,Gould, T.,Lagu, B.,Lei, H.,Lenoir, F.,Majumdar, D.,Ochala, E.,Palermo, M.G.,Pham, L.,Pu, M.,Smith, T.,Stams, T.,Tomlinson, R.C.,Toure, B.B.,Visser, M.,Wang, R.M.,Waters, N.J.,Shao, W. Identification of NVP-TNKS656: The Use of Structure-Efficiency Relationships To Generate a Highly Potent, Selective, and Orally Active Tankyrase Inhibitor. J.Med.Chem., 56:6495-6511, 2013 Cited by PubMed: 23844574DOI: 10.1021/jm400807n PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.521 Å) |
Structure validation
Download full validation report