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Title | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. |
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Journal, issue, pages | Angew. Chem. Int. Ed. Engl., Vol. 56, Page 1908-1913, Year 2017 |
Publish date | Sep 19, 2016 (structure data deposition date) |
Authors | Cramer, J. / Schiebel, J. / Wulsdorf, T. / Grohe, K. / Najbauer, E.E. / Ehrmann, F.R. / Radeva, N. / Zitzer, N. / Linne, U. / Linser, R. ...Cramer, J. / Schiebel, J. / Wulsdorf, T. / Grohe, K. / Najbauer, E.E. / Ehrmann, F.R. / Radeva, N. / Zitzer, N. / Linne, U. / Linser, R. / Heine, A. / Klebe, G. |
External links | Angew. Chem. Int. Ed. Engl. / PubMed:28097765 |
Methods | X-ray diffraction |
Resolution | 1.03 - 1.249 Å |
Structure data | PDB-5lwr: PDB-5lws: PDB-5lwt: PDB-5lwu: |
Chemicals | ChemComp-7B2: ChemComp-GOL: ChemComp-ACT: ChemComp-DMS: ChemComp-EDO: ChemComp-HOH: ChemComp-7B4: ChemComp-TFA: ChemComp-7B3: |
Source |
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Keywords | HYDROLASE / fragment screening / aspartic protease / inhibition / reactivity |