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-Structure paper
Title | Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor. |
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Journal, issue, pages | Acs Pharmacol Transl Sci, Vol. 5, Page 255-265, Year 2022 |
Publish date | Sep 7, 2021 (structure data deposition date) |
Authors | Glaser, J. / Sedova, A. / Galanie, S. / Kneller, D.W. / Davidson, R.B. / Maradzike, E. / Del Galdo, S. / Labbe, A. / Hsu, D.J. / Agarwal, R. ...Glaser, J. / Sedova, A. / Galanie, S. / Kneller, D.W. / Davidson, R.B. / Maradzike, E. / Del Galdo, S. / Labbe, A. / Hsu, D.J. / Agarwal, R. / Bykov, D. / Tharrington, A. / Parks, J.M. / Smith, D.M.A. / Daidone, I. / Coates, L. / Kovalevsky, A. / Smith, J.C. |
External links | Acs Pharmacol Transl Sci / PubMed:35434531 |
Methods | X-ray diffraction |
Resolution | 1.9 - 2 Å |
Structure data | PDB-7s3k: PDB-7s3s: PDB-7s4b: |
Chemicals | ChemComp-Z26: ChemComp-HOH: ChemComp-860: ChemComp-87H: |
Source |
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Keywords | HYDROLASE/INHIBITOR / enzyme-inhibitor complex / cysteine protease / homodimer / HYDROLASE / HYDROLASE-INHIBITOR complex |