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| Title | Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. |
|---|---|
| Journal, issue, pages | Bioorg. Med. Chem. Lett., Vol. 20, Page 6237-6241, Year 2010 |
| Publish date | Jul 20, 2010 (structure data deposition date) |
 Authors | Rankovic, Z. / Cai, J. / Kerr, J. / Fradera, X. / Robinson, J. / Mistry, A. / Finlay, W. / McGarry, G. / Andrews, F. / Caulfield, W. ...Rankovic, Z. / Cai, J. / Kerr, J. / Fradera, X. / Robinson, J. / Mistry, A. / Finlay, W. / McGarry, G. / Andrews, F. / Caulfield, W. / Cumming, I. / Dempster, M. / Waller, J. / Arbuckle, W. / Anderson, M. / Martin, I. / Mitchell, A. / Long, C. / Baugh, M. / Westwood, P. / Kinghorn, E. / Jones, P. / Uitdehaag, J.C. / van Zeeland, M. / Potin, D. / Saniere, L. / Fouquet, A. / Chevallier, F. / Deronzier, H. / Dorleans, C. / Nicolai, E. |
 External links | Bioorg. Med. Chem. Lett. / PubMed:20843687 |
| Methods | X-ray diffraction |
| Resolution | 1.65 - 1.8 Å |
| Structure data |  PDB-3o0u:  PDB-3o1g: |
| Chemicals |  ChemComp-O47:  ChemComp-HOH:  ChemComp-SO4:  ChemComp-O75: |
| Source |
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 Keywords | HYDROLASE/HYDROLASE INHIBITOR / hydrolase / covalent 2-cyano-pyrimidine inhibitor / reversible covalent bond between Cys25 and ligand / bone / HYDROLASE-HYDROLASE INHIBITOR complex / reversible covalent inhibitor / ligand covalently bound to Cys25 / K protein from comp |
homo sapiens (human)