4UND

HUMAN ARTD1 (PARP1) - CATALYTIC DOMAIN IN COMPLEX WITH INHIBITOR TALAZOPARIB

Summary for 4UND

Entry DOI	10.2210/pdb4und/pdb
Descriptor	POLY [ADP-RIBOSE] POLYMERASE 1, (8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one, SODIUM ION, ... (4 entities in total)
Functional Keywords	transferase, protein-inhibitor complex, adp-ribosylation, dna repair
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Nucleus: P09874
Total number of polymer chains	2
Total formula weight	84501.17
Authors	Karlberg, T.,Thorsell, A.G.,Ekblad, T.,Klepsch, M.,Pinto, A.F.,Tresaugues, L.,Moche, M.,Schuler, H. (deposition date: 2014-05-27, release date: 2015-06-17, Last modification date: 2024-01-10)
Primary citation	Thorsell, A.G.,Ekblad, T.,Karlberg, T.,Low, M.,Pinto, A.F.,Tresaugues, L.,Moche, M.,Cohen, M.S.,Schuler, H. Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. J. Med. Chem., 60:1262-1271, 2017 Cited by PubMed: 28001384 DOI: 10.1021/acs.jmedchem.6b00990 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation