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Structure paper

TitleStructural basis of main proteases of HCoV-229E bound to inhibitor PF-07304814 and PF-07321332.
Journal, issue, pagesBiochem. Biophys. Res. Commun., Vol. 657, Page 16-23, Year 2023
Publish dateAug 11, 2022 (structure data deposition date)
AuthorsZhou, Y. / Wang, W. / Zeng, P. / Feng, J. / Li, D. / Jing, Y. / Zhang, J. / Yin, X. / Li, J. / Ye, H. / Wang, Q.
External linksBiochem. Biophys. Res. Commun. / PubMed:36965419
MethodsX-ray diffraction
Resolution1.79 - 2.01 Å
Structure data

PDB-7yrz:
Crystal structure of HCoV 229E main protease in complex with PF07321332
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-8im6:
Crystal structure of HCoV 229E main protease in complex with PF07304814
Method: X-RAY DIFFRACTION / Resolution: 2.01 Å

Chemicals

ChemComp-4WI:
(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide / medication, antivirus, protease inhibitor*YM

ChemComp-HOH:
WATER

ChemComp-80I:
[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate / antivirus, protease inhibitor*YM

Source
  • human coronavirus 229e
KeywordsVIRAL PROTEIN

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