1SNK

Cathepsin K complexed with carbamate derivatized norleucine aldehyde

Summary for 1SNK

• Entry DOI: 10.2210/pdb1snk/pdb
• Descriptor: Cathepsin K, SULFATE ION, N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE, ... (4 entities in total)
• Functional Keywords: catk, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Lysosome: P43235
• Total number of polymer chains: 1
• Total formula weight: 24181.95

Authors

Boros, E.E.,Deaton, D.N.,Hassell, A.M.,McFadyen, R.B.,Miller, A.B.,Miller, L.R.,Shewchuk, L.M.,Thompson, J.B.,Willard Jr., D.H.,Wright, L.L. (deposition date: 2004-03-11, release date: 2004-06-22, Last modification date: 2024-10-30)

Primary citation

Boros, E.E.,Deaton, D.N.,Hassell, A.M.,McFadyen, R.B.,Miller, A.B.,Miller, L.R.,Paulick, M.G.,Shewchuk, L.M.,Thompson, J.B.,Willard Jr., D.H.,Wright, L.L.
Exploration of the P(2)-P(3) SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14:3425-3429, 2004

PubMed Abstract: The synthesis and biological activity of a series of aldehyde inhibitors of cathepsin K are reported. Exploration of the properties of the S2 and S3 subsites with a series of carbamate derivatized norleucine aldehydes substituted at the P2 and P3 positions afforded analogs with cathepsin K IC50s between 600 nM and 130 pM.

PubMed: 15177446
DOI: 10.1016/j.bmcl.2004.04.084

Experimental method

X-RAY DIFFRACTION (2.4 Å)