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Structure paper

TitleHigh-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Journal, issue, pagesActa Crystallogr D Struct Biol, Vol. 80, Page 451-463, Year 2024
Publish dateDec 12, 2023 (structure data deposition date)
AuthorsMa, S. / Damfo, S. / Bowler, M.W. / Mykhaylyk, V. / Kozielski, F.
External linksActa Crystallogr D Struct Biol / PubMed:38841886
MethodsX-ray diffraction
Resolution1.08 - 1.44 Å
Structure data

PDB-8rf2:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 1E7 refined against the anomalous diffraction data
Method: X-RAY DIFFRACTION / Resolution: 1.44 Å

PDB-8rf3:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7G3 refined against the anomalous diffraction data
Method: X-RAY DIFFRACTION / Resolution: 1.23 Å

PDB-8rf4:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 9D4 refined against the anomalous diffraction data
Method: X-RAY DIFFRACTION / Resolution: 1.11 Å

PDB-8rf5:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7 refined against the anomalous diffraction data
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-8rf6:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL5 refined against the anomalous diffraction data
Method: X-RAY DIFFRACTION / Resolution: 1.08 Å

PDB-8rf8:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 11A7_AL6 refined against the anomalous diffraction data
Method: X-RAY DIFFRACTION / Resolution: 1.12 Å

PDB-8rfc:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL1 refined against the anomalous diffraction data
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

PDB-8rfd:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7H2_AL2 refined against the anomalous diffraction data
Method: X-RAY DIFFRACTION / Resolution: 1.13 Å

PDB-8rff:
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data
Method: X-RAY DIFFRACTION / Resolution: 1.31 Å

Chemicals

PDB-1h0g:
Complex of a chitinase with the natural product cyclopentapeptide argadin from Clonostachys

ChemComp-HOH:
WATER

PDB-1h0l:
HUMAN PRION PROTEIN 121-230 M166C/E221C

ChemComp-EQT:
4-chloranyl-1~{H}-indazol-3-amine

ChemComp-FBB:
6-fluoro-1,3-benzothiazol-2-amine

PDB-1h0k:
Enoyl thioester reductase 2

PDB-1h0m:
Three-dimensional structure of the quorum sensing protein TraR bound to its autoinducer and to its target DNA

PDB-1h0n:
Cobalt substitution of mouse R2 ribonucleotide reductase to model the reactive diferrous state

PDB-1h0j:
Structural Basis of the Membrane-induced Cardiotoxin A3 Oligomerization

ChemComp-ABV:
1,3-benzothiazol-2-amine

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsPROTEIN BINDING / Viral Protein / SARS-CoV-2 / non-structural protein 1 / nsp1 / fragment hit / anomalous diffraction

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