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; PubMed: 24900633; DOI: 10.1021/ml4003315

Experimental method

X-RAY DIFFRACTION (1.9 Å)