7OCV

Human TNKS1 in complex with 3-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one

7OCV の概要

• エントリーDOI: 10.2210/pdb7ocv/pdb
• 分子名称: Poly [ADP-ribose] polymerase, ACETATE ION, 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one, ... (5 entities in total)
• 機能のキーワード: tankyrase, parp, inhibitor, transferase-transferase inhibitor, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 24695.36

構造登録者

Musil, D.,Lehmann, M.,Buchstaller, H.-P. (登録日: 2021-04-28, 公開日: 2021-07-28, 最終更新日: 2024-01-31)

• 主引用文献: Buchstaller, H.P.,Anlauf, U.,Dorsch, D.,Kogler, S.,Kuhn, D.,Lehmann, M.,Leuthner, B.,Lodholz, S.,Musil, D.,Radtki, D.,Rettig, C.,Ritzert, C.,Rohdich, F.,Schneider, R.,Wegener, A.,Weigt, S.,Wilkinson, K.,Esdar, C.; Optimization of a Screening Hit toward M2912, an Oral Tankyrase Inhibitor with Antitumor Activity in Colorectal Cancer Models.; J.Med.Chem., 64:10371-10392, 2021; PubMed: 34255518; DOI: 10.1021/acs.jmedchem.1c00800

実験手法

X-RAY DIFFRACTION (1.432 Å)