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Structure paper

TitleSmall molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice.
Journal, issue, pagesNat Commun, Vol. 8, Page 750-750, Year 2017
Publish dateJul 12, 2017 (structure data deposition date)
AuthorsVincent, J. / Adura, C. / Gao, P. / Luz, A. / Lama, L. / Asano, Y. / Okamoto, R. / Imaeda, T. / Aida, J. / Rothamel, K. ...Vincent, J. / Adura, C. / Gao, P. / Luz, A. / Lama, L. / Asano, Y. / Okamoto, R. / Imaeda, T. / Aida, J. / Rothamel, K. / Gogakos, T. / Steinberg, J. / Reasoner, S. / Aso, K. / Tuschl, T. / Patel, D.J. / Glickman, J.F. / Ascano, M.
External linksNat Commun / PubMed:28963528
MethodsX-ray diffraction
Resolution1.828 - 2.177 Å
Structure data

PDB-5xzb:
Mouse cGAS bound to the inhibitor RU365
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

PDB-5xze:
Mouse cGAS bound to the inhibitor RU332
Method: X-RAY DIFFRACTION / Resolution: 2.177 Å

PDB-5xzg:
Mouse cGAS bound to the inhibitor RU521
Method: X-RAY DIFFRACTION / Resolution: 1.828 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-A9Y:
(3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one

ChemComp-HOH:
WATER

ChemComp-AE7:
(3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one

ChemComp-AEV:
2-(4,5-dichloro-1H-benzimidazol-2-yl)-5-methyl-4-[(1R)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-1,2-dihydro-3H-pyrazol-3-one

Source
  • mus musculus (house mouse)
KeywordsIMMUNE SYSTEM/INHIBITOR / Inhibitor / cGAS / STING / IMMUNE SYSTEM-INHIBITOR complex

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