4N4V

Co-crystal structure of tankyrase 1 with compound 4 [(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]

Summary for 4N4V

Entry DOI	10.2210/pdb4n4v/pdb
Related	4K4F 4N3R 4N4T
Descriptor	Tankyrase-1, ZINC ION, (4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, ... (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	51100.56
Authors	Huang, X. (deposition date: 2013-10-08, 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: 24900633 DOI: 10.1021/ml4003315 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation