+Search query
-Structure paper
Title | Design, synthesis and in vitro evaluation of novel SARS-CoV-2 3CL pro covalent inhibitors. |
---|---|
Journal, issue, pages | Eur. J. Med. Chem., Vol. 229, Page 114046-114046, Year 2021 |
Publish date | Apr 28, 2021 (structure data deposition date) |
Authors | Stille, J.K. / Tjutrins, J. / Wang, G. / Venegas, F.A. / Hennecker, C. / Rueda, A.M. / Sharon, I. / Blaine, N. / Miron, C.E. / Pinus, S. ...Stille, J.K. / Tjutrins, J. / Wang, G. / Venegas, F.A. / Hennecker, C. / Rueda, A.M. / Sharon, I. / Blaine, N. / Miron, C.E. / Pinus, S. / Labarre, A. / Plescia, J. / Burai Patrascu, M. / Zhang, X. / Wahba, A.S. / Vlaho, D. / Huot, M.J. / Schmeing, T.M. / Mittermaier, A.K. / Moitessier, N. |
External links | Eur. J. Med. Chem. / PubMed:34995923 |
Methods | X-ray diffraction |
Resolution | 2.5 - 2.6 Å |
Structure data | PDB-7mlf: PDB-7mlg: |
Chemicals | ChemComp-C7A: ChemComp-HOH: ChemComp-ZJ1: |
Source |
|
Keywords | HYDROLASE/INHIBITOR / SARS-CoV-2 / 3CLpro / covalent inhibitor / HYDROLASE-INHIBITOR complex |