8TNB

De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo mefuparib

8TNB の概要

• エントリーDOI: 10.2210/pdb8tnb/pdb
• 分子名称: De novo designed protein, 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide (3 entities in total)
• 機能のキーワード: drug binding, 4-helix bundle, de novo design, parpi, de novo protein, mefuparib
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 49506.78

構造登録者

Lu, L.,DeGrado, W.F. (登録日: 2023-08-01, 公開日: 2024-04-24)

• 主引用文献: Lu, L.,Gou, X.,Tan, S.K.,Mann, S.I.,Yang, H.,Zhong, X.,Gazgalis, D.,Valdiviezo, J.,Jo, H.,Wu, Y.,Diolaiti, M.E.,Ashworth, A.,Polizzi, N.F.,DeGrado, W.F.; De novo design of drug-binding proteins with predictable binding energy and specificity.; Science, 384:106-112, 2024; PubMed: 38574125; DOI: 10.1126/science.adl5364

実験手法

X-RAY DIFFRACTION (1.4 Å)