+Search query
-Structure paper
Title | A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. |
---|---|
Journal, issue, pages | Angew. Chem. Int. Ed. Engl., Vol. 56, Page 1908-1913, Year 2017 |
Publish date | Sep 19, 2016 (structure data deposition date) |
![]() | 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. |
![]() | ![]() ![]() |
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 |
|
![]() | HYDROLASE / fragment screening / aspartic protease / inhibition / reactivity |