1MS6

Dipeptide Nitrile Inhibitor Bound to Cathepsin S.

Summary for 1MS6

Entry DOI	10.2210/pdb1ms6/pdb
Descriptor	Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE (2 entities in total)
Functional Keywords	hydrolase, cathepsin, protease
Biological source	Homo sapiens (human)
Cellular location	Lysosome: P25774
Total number of polymer chains	1
Total formula weight	25100.16
Authors	Ward, Y.D.,Thomson, D.S.,Frye, L.L.,Cywin, C.L.,Morwick, T.,Emmanuel, M.J.,Zindell, R.,McNeil, D.,Bekkali, Y.,Giradot, M.,Hrapchak, M.,DeTuri, M.,Crane, K.,White, D.,Pav, S.,Wang, Y.,Hao, M.H.,Grygon, C.A.,Labadia, M.E.,Freeman, D.M.,Davidson, W.,Hopkins, J.L.,Brown, M.L.,Spero, D.M. (deposition date: 2002-09-19, release date: 2003-04-22, Last modification date: 2011-07-13)
Primary citation	Ward, Y.D.,Thomson, D.S.,Frye, L.L.,Cywin, C.L.,Morwick, T.,Emmanuel, M.J.,Zindell, R.,McNeil, D.,Bekkali, Y.,Giradot, M.,Hrapchak, M.,DeTuri, M.,Crane, K.,White, D.,Pav, S.,Wang, Y.,Hao, M.H.,Grygon, C.A.,Labadia, M.E.,Freeman, D.M.,Davidson, W.,Hopkins, J.L.,Brown, M.L.,Spero, D.M. Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors J.Med.Chem., 45:5471-5482, 2002 Cited by PubMed: 12459015 DOI: 10.1021/jm020209i PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation