6HGY

CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C

Summary for 6HGY

Entry DOI	10.2210/pdb6hgy/pdb
Descriptor	Cathepsin K, THALASSOSPIRAMIDE C (3 entities in total)
Functional Keywords	protease, cathepsin k, proteros biostructures gmbh, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	24315.45
Authors	Zakarian, A.,Buckman, B.O.,Adler, M.,Griessner, A.,Blaesse, M. (deposition date: 2018-08-23, release date: 2019-06-26, Last modification date: 2024-11-20)
Primary citation	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 Cited by 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 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation