8HE7

ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor

Summary for 8HE7

Entry DOI	10.2210/pdb8he7/pdb
Descriptor	Poly [ADP-ribose] polymerase 1, processed C-terminus, 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione, SULFATE ION, ... (4 entities in total)
Functional Keywords	dna adp-ribosyltransferase 1, parp1, inhibitor, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	79750.94
Authors	Wang, X.Y.,Zhou, J.,Xu, B.L. (deposition date: 2022-11-07, release date: 2023-11-08)
Primary citation	Zhou, J.,Du, T.,Wang, X.,Yao, H.,Deng, J.,Li, Y.,Chen, X.,Sheng, L.,Ji, M.,Xu, B. Discovery of Quinazoline-2,4(1 H ,3 H )-dione Derivatives Containing a Piperizinone Moiety as Potent PARP-1/2 Inhibitors─Design, Synthesis, In Vivo Antitumor Activity, and X-ray Crystal Structure Analysis. J.Med.Chem., 66:14095-14115, 2023 Cited by PubMed: 37843892 DOI: 10.1021/acs.jmedchem.3c01152 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation