2OP3

The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method

Summary for 2OP3

Entry DOI	10.2210/pdb2op3/pdb
Related	2H7J 2HXZ
Descriptor	Cathepsin S, SULFATE ION, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, ... (5 entities in total)
Functional Keywords	cathepsin s, nonpeptidic, substrate activity screening, hydrolase
Biological source	Homo sapiens (human)
Cellular location	Lysosome: P25774
Total number of polymer chains	2
Total formula weight	50636.77
Authors	Spraggon, G.,Inagaki, H.,Tsuruoka, H.,Hornsby, M.,Lesley, S.A.,Ellman, J.A. (deposition date: 2007-01-26, release date: 2007-05-22, Last modification date: 2023-08-30)
Primary citation	Inagaki, H.,Tsuruoka, H.,Hornsby, M.,Lesley, S.A.,Spraggon, G.,Ellman, J.A. Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode. J.Med.Chem., 50:2693-2699, 2007 Cited by PubMed: 17469812 DOI: 10.1021/jm070111+ PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation