6YYN

Structure of Cathepsin S in complex with Compound 14

This is a non-PDB format compatible entry.

Summary for 6YYN

• Entry DOI: 10.2210/pdb6yyn/pdb
• Descriptor: Cathepsin S, CITRATE ANION, ~{N}-methyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonyl-propanamide, ... (5 entities in total)
• Functional Keywords: cathepsin s, inhibitor, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 51873.72

Authors

Wagener, M.,Schade, M.,Merla, B.,Hars, U.,Kueckelhaus, S.Q. (deposition date: 2020-05-05, release date: 2021-05-12, Last modification date: 2024-05-01)

• Primary citation: Schade, M.,Merla, B.,Lesch, B.,Wagener, M.,Timmermanns, S.,Pletinckx, K.,Hertrampf, T.; Highly Selective Sub-Nanomolar Cathepsin S Inhibitors by Merging Fragment Binders with Nitrile Inhibitors.; J.Med.Chem., 63:11801-11808, 2020; PubMed: 32880457; DOI: 10.1021/acs.jmedchem.0c00949

Experimental method

X-RAY DIFFRACTION (2.22 Å)