2FTD

Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound

Summary for 2FTD

• Entry DOI: 10.2210/pdb2ftd/pdb
• Related: 1AU0 1AU2 1AU3 1AU4
• Descriptor: Cathepsin K, N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE (3 entities in total)
• Functional Keywords: hydrolase, sulfhydryl proteinase
• Biological source: Macaca mulatta (rhesus monkey)
• Cellular location: Lysosome (By similarity): P61277
• Total number of polymer chains: 2
• Total formula weight: 48128.22

Authors

Yamashita, D.S.,Baoguang, Z. (deposition date: 2006-01-24, release date: 2007-01-30, Last modification date: 2011-07-13)

• Primary citation: Yamashita, D.S.,Marquis, R.W.,Xie, R.,Nidamarthy, S.D.,Oh, H.J.,Jeong, J.U.,Erhard, K.F.,Ward, K.W.,Roethke, T.J.,Smith, B.R.,Cheng, H.Y.,Geng, X.,Lin, F.,Offen, P.H.,Wang, B.,Nevins, N.,Head, M.S.,Haltiwanger, R.C.,Narducci Sarjeant, A.A.,Liable-Sands, L.M.,Zhao, B.,Smith, W.W.,Janson, C.A.,Gao, E.,Tomaszek, T.,McQueney, M.,James, I.E.,Gress, C.J.,Zembryki, D.L.,Lark, M.W.,Veber, D.F.; Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.; J.Med.Chem., 49:1597-1612, 2006; PubMed: 16509577; DOI: 10.1021/jm050915u

Experimental method

X-RAY DIFFRACTION (2.55 Å)