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Title | Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors. |
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Journal, issue, pages | Front Chem, Vol. 10, Page 861209-861209, Year 2022 |
Publish date | Feb 15, 2022 (structure data deposition date) |
Authors | Calleja, D.J. / Kuchel, N. / Lu, B.G.C. / Birkinshaw, R.W. / Klemm, T. / Doerflinger, M. / Cooney, J.P. / Mackiewicz, L. / Au, A.E. / Yap, Y.Q. ...Calleja, D.J. / Kuchel, N. / Lu, B.G.C. / Birkinshaw, R.W. / Klemm, T. / Doerflinger, M. / Cooney, J.P. / Mackiewicz, L. / Au, A.E. / Yap, Y.Q. / Blackmore, T.R. / Katneni, K. / Crighton, E. / Newman, J. / Jarman, K.E. / Call, M.J. / Lechtenberg, B.C. / Czabotar, P.E. / Pellegrini, M. / Charman, S.A. / Lowes, K.N. / Mitchell, J.P. / Nachbur, U. / Lessene, G. / Komander, D. |
External links | Front Chem / PubMed:35494659 |
Methods | X-ray diffraction |
Resolution | 2.66 Å |
Structure data | PDB-7tzj: |
Chemicals | ChemComp-S88: ChemComp-ZN: ChemComp-DMS: ChemComp-HOH: |
Source |
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Keywords | HYDROLASE/HYDROLASE inhibitor / SARS CoV-2 / papain-like protease / 3k / COVID19 / inhibitor / complex / HYDROLASE/Inhibitor / HYDROLASE / HYDROLASE-HYDROLASE inhibitor complex |