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Title | Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity. |
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Journal, issue, pages | Bioorg. Med. Chem., Vol. 103, Page 117577-117577, Year 2024 |
Publish date | Jan 24, 2024 (structure data deposition date) |
Authors | Carney, D.W. / Leffler, A.E. / Bell, J.A. / Chandrasinghe, A.S. / Cheng, C. / Chang, E. / Dornford, A. / Dougan, D.R. / Frye, L.L. / Grimes, M.E. ...Carney, D.W. / Leffler, A.E. / Bell, J.A. / Chandrasinghe, A.S. / Cheng, C. / Chang, E. / Dornford, A. / Dougan, D.R. / Frye, L.L. / Grimes, M.E. / Knehans, T. / Knight, J.L. / Komandla, M. / Lane, W. / Li, H. / Newman, S.R. / Phimister, K. / Saikatendu, K.S. / Silverstein, H. / Vafaei, S. |
External links | Bioorg. Med. Chem. / PubMed:38518735 |
Methods | X-ray diffraction |
Resolution | 2.071 Å |
Structure data | PDB-8vsg: |
Chemicals | ChemComp-BTB: PDB-1ad0: ChemComp-DMS: ChemComp-EDO: ChemComp-HOH: |
Source |
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Keywords | VIRAL PROTEIN / COVALENT INHIBITOR / PROTEASE / CORONAVIRUS / ANTIVIRAL |