8HE7

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

8HE7 の概要

• エントリーDOI: 10.2210/pdb8he7/pdb
• 分子名称: 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)
• 機能のキーワード: dna adp-ribosyltransferase 1, parp1, inhibitor, transferase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 79750.94

構造登録者

Wang, X.Y.,Zhou, J.,Xu, B.L. (登録日: 2022-11-07, 公開日: 2023-11-08)

• 主引用文献: 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; PubMed: 37843892; DOI: 10.1021/acs.jmedchem.3c01152

実験手法

X-RAY DIFFRACTION (2.1 Å)