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-Structure paper
Title | The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches. |
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Journal, issue, pages | J. Med. Chem., Vol. 56, Page 2207-2217, Year 2013 |
Publish date | Aug 9, 2012 (structure data deposition date) |
![]() | Lorthiois, E. / Breitenstein, W. / Cumin, F. / Ehrhardt, C. / Francotte, E. / Jacoby, E. / Ostermann, N. / Sellner, H. / Kosaka, T. / Webb, R.L. ...Lorthiois, E. / Breitenstein, W. / Cumin, F. / Ehrhardt, C. / Francotte, E. / Jacoby, E. / Ostermann, N. / Sellner, H. / Kosaka, T. / Webb, R.L. / Rigel, D.F. / Hassiepen, U. / Richert, P. / Wagner, T. / Maibaum, J. |
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Methods | X-ray diffraction |
Resolution | 2.4 - 2.8 Å |
Structure data | ![]() PDB-4gj5: ![]() PDB-4gj6: ![]() PDB-4gj7: |
Chemicals | ![]() ChemComp-NAG: ![]() ChemComp-0LR: ![]() ChemComp-HOH: ![]() ChemComp-0LS: ![]() ChemComp-SO4: ![]() ChemComp-0LT: |
Source |
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![]() | HYDROLASE/HYDROLASE INHIBITOR / renin inhibitor / pharmacophore search / trans-3 / 4-disubstituted pyrrolidine / HYDROLASE-HYDROLASE INHIBITOR complex |