2pjt | pdb_00002pjt
Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344
Overview
A series of beta-sulfonyl hydroxamate TACE inhibitors, bearing a butynylamino or a butynyloxy P1' group, was designed and synthesized. Of the compounds investigated, 22 has excellent potency against isolated TACE enzyme, shows good selectivity over MMP-2 and MMP-13, and oral activity in an in vivo mouse model of TNF-alpha production.
About this Structure
2PJT is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket., Huang A, Joseph-McCarthy D, Lovering F, Sun L, Wang W, Xu W, Zhu Y, Cui J, Zhang Y, Levin JI, Bioorg Med Chem. 2007 Sep 15;15(18):6170-81. Epub 2007 Jun 20. PMID:17606376 Page seeded by OCA on Thu Apr 24 09:39:12 2008
Proteopedia Page Contributors and Editors (what is this?)
- Pages with broken file links
- Homo sapiens
- Single protein
- Huang, A.
- Levin, J I.
- Lovering, F.
- Mosyak, L.
- Xu, Z.
- Calcium
- Collagen degradation
- Collagenase
- Disease mutation
- Extracellular matrix
- Glycoprotein
- Hydrolase
- Hydrophobic s1s'
- Hydroxamate
- Metal-binding
- Metalloprotease
- Mmp-13
- Mmp
- P1' group
- Polymorphism
- Secreted
- Zinc chelator
- Zymogen
