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Structure paper

TitleTwo Ligand-Binding Sites on SARS-CoV-2 Non-Structural Protein 1 Revealed by Fragment-Based X-ray Screening.
Journal, issue, pagesInt J Mol Sci, Vol. 23, Year 2022
Publish dateJun 14, 2022 (structure data deposition date)
AuthorsMa, S. / Damfo, S. / Lou, J. / Pinotsis, N. / Bowler, M.W. / Haider, S. / Kozielski, F.
External linksInt J Mol Sci / PubMed:36293303
MethodsX-ray diffraction
Resolution0.99 - 1.37 Å
Structure data

PDB-8a55:
Structure of N-terminal SARS-CoV-2 nonstructural protein 1 (nsp1) at atomic resolution
Method: X-RAY DIFFRACTION / Resolution: 0.99 Å

PDB-8ays:
SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 4-(2-aminothiazol-4-yl)phenol
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-8az8:
SARS-CoV-2 non-structural protein-1 (nsp1) in complex with 2-(benzylamino)ethan-1-ol
Method: X-RAY DIFFRACTION / Resolution: 1.18 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-92G:
4-(2-amino-1,3-thiazol-4-yl)phenol

ChemComp-OEI:
2-[(phenylmethyl)amino]ethanol

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / SARS-CoV-2 / nonstructural protein 1 (nsp1) / N-terminal domain / atomic resolution / non-structural protein-1 / fragment hit / complex

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