7KK3

Structure of the catalytic domain of PARP1 in complex with talazoparib

Summary for 7KK3

Entry DOI	10.2210/pdb7kk3/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 (3 entities in total)
Functional Keywords	parp1, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	4
Total formula weight	158885.36
Authors	Gajiwala, K.S.,Ryan, K. (deposition date: 2020-10-27, release date: 2021-01-06, Last modification date: 2023-10-18)
Primary citation	Ryan, K.,Bolanos, B.,Smith, M.,Palde, P.B.,Cuenca, P.D.,VanArsdale, T.L.,Niessen, S.,Zhang, L.,Behenna, D.,Ornelas, M.A.,Tran, K.T.,Kaiser, S.,Lum, L.,Stewart, A.,Gajiwala, K.S. Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296:100251-100251, 2021 Cited by PubMed: 33361107 DOI: 10.1074/jbc.RA120.016573 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.06 Å)

Structure validation