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-Structure paper
Title | Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. |
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Journal, issue, pages | J. Med. Chem., Vol. 53, Page 4891-4905, Year 2010 |
Publish date | Nov 6, 2009 (structure data deposition date) |
Authors | Ferreira, R.S. / Simeonov, A. / Jadhav, A. / Eidam, O. / Mott, B.T. / Keiser, M.J. / McKerrow, J.H. / Maloney, D.J. / Irwin, J.J. / Shoichet, B.K. |
External links | J. Med. Chem. / PubMed:20540517 |
Methods | X-ray diffraction |
Resolution | 1.28 Å |
Structure data | PDB-3kku: |
Chemicals | ChemComp-B95: ChemComp-EDO: ChemComp-Z22: ChemComp-HOH: |
Source |
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Keywords | HYDROLASE / Autocatalytic cleavage / Glycoprotein / Protease / Thiol protease / Zymogen |