2F1G

Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide

Summary for 2F1G

• Entry DOI: 10.2210/pdb2f1g/pdb
• Descriptor: Cathepsin S, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE, GLYCEROL, ... (4 entities in total)
• Functional Keywords: cathepsin s, noncovalent, inhibition, 2-(benzooxazol-2-ylamino) acetamides, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Lysosome: P25774
• Total number of polymer chains: 2
• Total formula weight: 49747.97

Authors

Spraggon, G.,Hornsby, M.,Lesley, S.A.,Tully, D.C.,Harris, J.L.,Karenewsky, D.S.,Kulathila, R.,Clark, K. (deposition date: 2005-11-14, release date: 2006-04-04, Last modification date: 2011-07-13)

• Primary citation: Tully, D.C.,Liu, H.,Alper, P.B.,Chatterjee, A.K.,Epple, R.,Roberts, M.J.,Williams, J.A.,Nguyen, K.T.,Woodmansee, D.H.,Tumanut, C.,Li, J.,Spraggon, G.,Chang, J.,Tuntland, T.,Harris, J.L.,Karanewsky, D.S.; Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3.; Bioorg.Med.Chem.Lett., 16:1975-1980, 2006; PubMed: 16446091; DOI: 10.1016/j.bmcl.2005.12.095

Experimental method

X-RAY DIFFRACTION (1.9 Å)