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Structure paper

TitleComplex Structures and Cellular Activities of the Potent SARS-CoV-2 3CLpro Inhibitors Guiding Drug Discovery Against COVID-19
Journal, issue, pagesTo Be Published
Publish dateJun 3, 2020 (structure data deposition date)
AuthorsKuo, C.J. / Shie, J.J. / Lin, C.H. / Lin, Y.L. / Hsieh, M.C. / Lee, C.C. / Chang, S.Y. / Wang, A.H.J. / Liang, P.H.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.05 - 2.3 Å
Structure data

PDB-7c8r:
Complex Structure of SARS-CoV-2 3CL Protease with TG-0203770
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-7c8t:
Complex Structure of SARS-CoV-2 3CL Protease with TG-0205221
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

ChemComp-TG3:
ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate

ChemComp-HOH:
WATER

ChemComp-NOL:
N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / Inhibitor / Complex

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