4N3R
Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide)
Summary for 4N3R
Entry DOI | 10.2210/pdb4n3r/pdb |
Related | 4K4F 4N4T 4N4V |
Descriptor | Tankyrase-1, ZINC ION, 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide, ... (4 entities in total) |
Functional Keywords | tankyrase, parp, inhibitor, 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 | 51124.45 |
Authors | Huang, X. (deposition date: 2013-10-07, release date: 2013-12-11, Last modification date: 2024-02-28) |
Primary citation | Huang, H.,Guzman-Perez, A.,Acquaviva, L.,Berry, V.,Bregman, H.,Dovey, J.,Gunaydin, H.,Huang, X.,Huang, L.,Saffran, D.,Serafino, R.,Schneider, S.,Wilson, C.,DiMauro, E.F. Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors. ACS Med Chem Lett, 4:1218-1223, 2013 Cited by PubMed: 24900633DOI: 10.1021/ml4003315 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
Download full validation report