6HGY

CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C

6HGY の概要

• エントリーDOI: 10.2210/pdb6hgy/pdb
• 分子名称: Cathepsin K, THALASSOSPIRAMIDE C (3 entities in total)
• 機能のキーワード: protease, cathepsin k, proteros biostructures gmbh, hydrolase
• 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: 24315.45

構造登録者

Zakarian, A.,Buckman, B.O.,Adler, M.,Griessner, A.,Blaesse, M. (登録日: 2018-08-23, 公開日: 2019-06-26, 最終更新日: 2024-11-20)

主引用文献

Fournier, J.,Chen, K.,Mailyan, A.K.,Jackson, J.J.,Buckman, B.O.,Emayan, K.,Yuan, S.,Rajagopalan, R.,Misialek, S.,Adler, M.,Blaesse, M.,Griessner, A.,Zakarian, A.
Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action.
Org.Lett., 21:508-512, 2019

PubMed Abstract: A total synthesis of N-desmethyl thalassospiramide C, a unique strained macrocyclic proteobacterial depsipeptide, enabled a detailed crystallographic study of its covalent complex with cathepsin K, a member of a medicinally important family of cysteine proteases. The study provides support for the mechanism of action, and the insight gained can be used for structure-based drug design targeting these calpain proteases.

PubMed: 30628449
DOI: 10.1021/acs.orglett.8b03821

実験手法

X-RAY DIFFRACTION (2.2 Å)