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TitleComprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Journal, issue, pagesAcs Catalysis, Vol. 10, Page 5871-5890, Year 2020
Publish dateJan 1, 2020 (structure data deposition date)
AuthorsWang, H. / He, S. / Deng, W. / Zhang, Y. / Li, G. / Sun, J. / Zhao, W. / Guo, Y. / Yin, Z. / Li, D. / Shang, L.
External linksAcs Catalysis / PubMed:32391184
MethodsX-ray diffraction
Resolution1.939 - 2.245 Å
Structure data

PDB-6lnq:
The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7
Method: X-RAY DIFFRACTION / Resolution: 2.244 Å

PDB-6lny:
The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C-Like Protease with aldehyde M15
Method: X-RAY DIFFRACTION / Resolution: 2.245 Å

PDB-6lo0:
The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C Like Protease with aldehyde M14
Method: X-RAY DIFFRACTION / Resolution: 1.939 Å

Chemicals

ChemComp-EJF:
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide

ChemComp-HOH:
WATER

ChemComp-EOC:
(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide

ChemComp-EOF:
(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide

Source
  • severe acute respiratory syndrome-related coronavirus
  • human sars coronavirus
KeywordsViral protein/inhibitor / Coronavirus 3C / Protease / Viral protein-inhibitor complex / HYDROLASE / Severe Acute Respiratory Syndrome Coronavirus / 3C Like Protease / aldehyde

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