4MSG

Crystal structure of tankyrase 1 with compound 22

4MSG の概要

• エントリーDOI: 10.2210/pdb4msg/pdb
• 関連するPDBエントリー: 4I9I 4MSK
• 分子名称: Tankyrase-1, ZINC ION, 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide, ... (4 entities in total)
• 機能のキーワード: tankyrase, parp, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: O95271
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 51164.61

構造登録者

Huang, X. (登録日: 2013-09-18, 公開日: 2013-12-25, 最終更新日: 2024-02-28)

• 主引用文献: Hua, Z.,Bregman, H.,Buchanan, J.L.,Chakka, N.,Guzman-Perez, A.,Gunaydin, H.,Huang, X.,Gu, Y.,Berry, V.,Liu, J.,Teffera, Y.,Huang, L.,Egge, B.,Emkey, R.,Mullady, E.L.,Schneider, S.,Andrews, P.S.,Acquaviva, L.,Dovey, J.,Mishra, A.,Newcomb, J.,Saffran, D.,Serafino, R.,Strathdee, C.A.,Turci, S.M.,Stanton, M.,Wilson, C.,Dimauro, E.F.; Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.; J.Med.Chem., 56:10003-10015, 2013; PubMed: 24294969; DOI: 10.1021/jm401317z

実験手法

X-RAY DIFFRACTION (1.8 Å)