6DHU

Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak

6DHU の概要

• エントリーDOI: 10.2210/pdb6dhu/pdb
• 分子名称: Tyrosyl-DNA phosphodiesterase 1, benzene-1,2,4-tricarboxylic acid, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: fragment-based drug design, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 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: 105293.63

構造登録者

Lountos, G.T.,Zhao, X.Z.,Kiselev, E.,Tropea, J.E.,Needle, D.,Burke Jr., T.R.,Pommier, Y.,Waugh, D.S. (登録日: 2018-05-21, 公開日: 2019-05-29, 最終更新日: 2023-10-11)

• 主引用文献: Lountos, G.T.,Zhao, X.Z.,Kiselev, E.,Tropea, J.E.,Needle, D.,Pommier, Y.,Burke, T.R.,Waugh, D.S.; Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.; Nucleic Acids Res., 47:10134-10150, 2019; PubMed: 31199869; DOI: 10.1093/nar/gkz515

実験手法

X-RAY DIFFRACTION (1.63 Å)