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TitleDiscovery of novel cGAS inhibitors based on natural flavonoids.
Journal, issue, pagesBioorg. Chem., Vol. 140, Page 106802-106802, Year 2023
Publish dateMar 6, 2023 (structure data deposition date)
AuthorsLi, J. / Xiong, M. / Liu, J. / Zhang, F. / Li, M. / Zhao, W. / Xu, Y.
External linksBioorg. Chem. / PubMed:37666112
MethodsX-ray diffraction
Resolution1.8 - 2.63 Å
Structure data

PDB-8ime:
Human cGAS catalytic domain bound with baicalin
Method: X-RAY DIFFRACTION / Resolution: 2.63 Å

PDB-8imf:
Human cGAS catalytic domain bound with baicalein
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-8img:
Human cGAS catalytic domain bound with C20
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-0XE:
5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-3WL:
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one

ChemComp-7XZ:
2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid

Source
  • homo sapiens (human)
KeywordsIMMUNE SYSTEM / cGAS / inhibitor / baicalin / baicalein / C20

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