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-Structure paper
Title | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. |
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Journal, issue, pages | Acta Crystallogr. ,Sect. F, Vol. 72, Page 346-355, Year 2016 |
Publish date | Feb 10, 2015 (structure data deposition date) |
Authors | Huschmann, F.U. / Linnik, J. / Sparta, K. / Uhlein, M. / Wang, X. / Metz, A. / Schiebel, J. / Heine, A. / Klebe, G. / Weiss, M.S. / Mueller, U. |
External links | Acta Crystallogr. ,Sect. F / PubMed:27139825 |
Methods | X-ray diffraction |
Resolution | 1.03 - 1.439 Å |
Structure data | PDB-4y38: PDB-4y3j: PDB-4y3y: PDB-4y48: PDB-4y4d: PDB-4y4g: PDB-4y4j: PDB-4ze6: PDB-4zea: |
Chemicals | ChemComp-GOL: ChemComp-ACT: ChemComp-DMS: ChemComp-0A9: ChemComp-HOH: ChemComp-HIC: ChemComp-DCL: ChemComp-GLY: ChemComp-PRO: ChemComp-CFF: ChemComp-GGB: ChemComp-LNR: ChemComp-011: ChemComp-EDO: ChemComp-IMI: |
Source |
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Keywords | HYDROLASE / fragment screening / aspartic protease inhibition / inhibition |