2r6n

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Crystal structure of a pyrrolopyrimidine inhibitor in complex with human Cathepsin K

File:2r6n.gif


2r6n, resolution 1.950Å

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OverviewOverview

Pyrrolopyrimidine, a novel scaffold, allows to adjust interactions within, the S3 subsite of cathepsin K. The core intermediate 10 facilitated the P3, optimization and identified highly potent and selective cathepsin K, inhibitors 11-20.

DiseaseDisease

Known disease associated with this structure: Pycnodysostosis OMIM:[601105]

About this StructureAbout this Structure

2R6N is a Single protein structure of sequence from Homo sapiens with CKE as ligand. Active as Cathepsin K, with EC number 3.4.22.38 Full crystallographic information is available from OCA.

ReferenceReference

Novel scaffold for cathepsin K inhibitors., Teno N, Miyake T, Ehara T, Irie O, Sakaki J, Ohmori O, Gunji H, Matsuura N, Masuya K, Hitomi Y, Nonomura K, Horiuchi M, Gohda K, Iwasaki A, Umemura I, Tada S, Kometani M, Iwasaki G, Cowan-Jacob SW, Missbach M, Lattmann R, Betschart C, Bioorg Med Chem Lett. 2007 Nov 15;17(22):6096-100. Epub 2007 Sep 15. PMID:17911019

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