5LYD

Crystal structure of 1 in complex with tafCPB

5LYD の概要

• エントリーDOI: 10.2210/pdb5lyd/pdb
• 分子名称: Carboxypeptidase B, ZINC ION, (2~{S})-6-azanyl-2-(sulfamoylamino)hexanoic acid, ... (4 entities in total)
• 機能のキーワード: tafinized carboxypeptidase b, hydrolase
• 由来する生物種: Sus scrofa (Pig)
• 細胞内の位置: Secreted : P09955
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35412.28

構造登録者

Schreuder, H.,Liesum, A.,Loenze, P. (登録日: 2016-09-27, 公開日: 2016-10-26, 最終更新日: 2024-11-13)

主引用文献

Halland, N.,Czech, J.,Czechtizky, W.,Evers, A.,Follmann, M.,Kohlmann, M.,Schreuder, H.A.,Kallus, C.
Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
J. Med. Chem., 59:9567-9573, 2016

PubMed Abstract: Previously disclosed TAFIa inhibitors having a urea zinc-binding motif were used as the starting point for the development of a novel class of highly potent inhibitors having a sulfamide zinc-binding motif. High-resolution X-ray cocrystal structures were used to optimize the structures and reveal a highly unusual sulfamide configuration. A selected sulfamide was profiled in vitro and in vivo and displayed a promising ADMET profile.

PubMed: 27749053
DOI: 10.1021/acs.jmedchem.6b01276

実験手法

X-RAY DIFFRACTION (2.02 Å)