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Structure paper

TitleBoth Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Journal, issue, pagesNat Commun, Vol. 11, Page 4417-4417, Year 2020
Publish dateMar 29, 2020 (structure data deposition date)
AuthorsFu, L. / Ye, F. / Feng, Y. / Yu, F. / Wang, Q. / Wu, Y. / Zhao, C. / Sun, H. / Huang, B. / Niu, P. ...Fu, L. / Ye, F. / Feng, Y. / Yu, F. / Wang, Q. / Wu, Y. / Zhao, C. / Sun, H. / Huang, B. / Niu, P. / Song, H. / Shi, Y. / Li, X. / Tan, W. / Qi, J. / Gao, G.F.
External linksNat Commun / PubMed:32887884
MethodsX-ray diffraction
Resolution1.35 - 2 Å
Structure data

PDB-7bro:
Crystal structure of the 2019-nCoV main protease
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7brp:
Crystal structure of the 2019-nCoV main protease complexed with Boceprevir
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7c6s:
Crystal structure of the SARS-CoV-2 main protease complexed with Boceprevir
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7c6u:
Crystal structure of SARS-CoV-2 complexed with GC376
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7d1m:
CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-U5G:
boceprevir (bound form)

ChemComp-K36:
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid / medication, antivirus*YM

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / 2019-nCoV main protease / The main protease of 2019-nCoV complexed with Boceprevir / SARS-CoV-2 / main protease / inhibitor / GC376

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