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-Structure paper
Title | Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. |
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Journal, issue, pages | J. Med. Chem., Vol. 60, Page 8160-8169, Year 2017 |
Publish date | Mar 20, 2017 (structure data deposition date) |
![]() | Rudling, A. / Gustafsson, R. / Almlof, I. / Homan, E. / Scobie, M. / Warpman Berglund, U. / Helleday, T. / Stenmark, P. / Carlsson, J. |
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Methods | X-ray diffraction |
Resolution | 1.54 - 2.2 Å |
Structure data | ![]() PDB-5ngr: ![]() PDB-5ngs: ![]() PDB-5ngt: |
Chemicals | ![]() ChemComp-8WT: ![]() ChemComp-SO4: ![]() ChemComp-HOH: ![]() ChemComp-8WW: ![]() ChemComp-ACT: ![]() ChemComp-8WZ: |
Source |
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![]() | HYDROLASE / Inhibitor / Fragment / Oxidised nucleotides |