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TitleDevelopment of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Journal, issue, pagesCell Chem Biol, Vol. 28, Page 855-865.e9, Year 2021
Publish dateSep 30, 2020 (structure data deposition date)
AuthorsShan, H. / Liu, J. / Shen, J. / Dai, J. / Xu, G. / Lu, K. / Han, C. / Wang, Y. / Xu, X. / Tong, Y. ...Shan, H. / Liu, J. / Shen, J. / Dai, J. / Xu, G. / Lu, K. / Han, C. / Wang, Y. / Xu, X. / Tong, Y. / Xiang, H. / Ai, Z. / Zhuang, G. / Hu, J. / Zhang, Z. / Li, Y. / Pan, L. / Tan, L.
External linksCell Chem Biol / PubMed:33979649
MethodsX-ray diffraction
Resolution1.6 - 2.4 Å
Structure data

PDB-7d6h:
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7e35:
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION / Phosphate

ChemComp-HOH:
WATER / Water

ChemComp-GYX:
N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsHYDROLASE / Protease / Deubiquitinase / VIRAL PROTEIN / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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