7AAD

Crystal structure of the catalytic domain of human PARP1 in complex with olaparib

Summary for 7AAD

Entry DOI	10.2210/pdb7aad/pdb
Related	7AAA 7AAB 7AAC
Descriptor	Poly [ADP-ribose] polymerase 1, 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one, SULFATE ION, ... (4 entities in total)
Functional Keywords	parp inhibitor, synthetic lethal, inhibitor, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	79782.98
Authors	Schimpl, M.,Ogden, T.E.H.,Yang, J.-C.,Easton, L.E.,Underwood, E.,Rawlins, P.B.,Johannes, J.W.,Embrey, K.J.,Neuhaus, D. (deposition date: 2020-09-04, release date: 2021-01-13, Last modification date: 2024-05-01)
Primary citation	Ogden, T.E.H.,Yang, J.C.,Schimpl, M.,Easton, L.E.,Underwood, E.,Rawlins, P.B.,McCauley, M.M.,Langelier, M.F.,Pascal, J.M.,Embrey, K.J.,Neuhaus, D. Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition. Nucleic Acids Res., 49:2266-2288, 2021 Cited by PubMed: 33511412 DOI: 10.1093/nar/gkab020 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.21 Å)

Structure validation