Summary
PDB 2WOA deposited: 2009-07-22 modified: 2009-09-22
Title MMP12 COMPLEX WITH A BETA HYDROXY CARBOXYLIC ACID
Authors Amour, A.J., Baddeley, S.J., Brown, D., Convery, M.A., Egan, D., Gaines, S., Gross, J.W., Herbert, S., Holmes, I.P., Lorthioir, O., Martin, S.L., Singh, O.M.P., Smith, R.H., Strelow, J.M., Walker, A., Watson, S.P.
Method X-RAY DIFFRACTION
Structure factors resolution 2.3 rfactor 0.153 rfree 0.219
DPI 0.44 theoretical min: 0.25
Related PDB Entries 2WO8 2WO9
Citations

A new class of selective MMP-12 inhibitors have been identified via high throughput screening. Crystallization with MMP-12 confirmed the mode of binding and allowed initial optimization to be carried out using classical structure based design.

Bioorg.Med.Chem.Lett. 2009 Oct; 19(19):5760-5763 doi:10.1016/j.bmcl.2009.07.155

Cross References
Database source Identifier Description
ChEMBL Document CHEMBL1155192
PubMed 19703773 BMCLE8
Biomolecule Structure Assembly Serial Assembly Type Conformational State Chains Ligands Atoms
2WOA/1 2WOA 1 monomer 0 1 8 1321
2WOA/2 2WOA 2 monomer 0 1 7 1325
2WOA/3 2WOA 3 monomer 0 1 7 1277
2WOA/4 2WOA 4 monomer 0 1 8 1293