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TitleDevelopment of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Journal, issue, pagesNat Commun, Vol. 10, Page 2261-2261, Year 2019
Publish dateSep 22, 2018 (structure data deposition date)
AuthorsLama, L. / Adura, C. / Xie, W. / Tomita, D. / Kamei, T. / Kuryavyi, V. / Gogakos, T. / Steinberg, J.I. / Miller, M. / Ramos-Espiritu, L. ...Lama, L. / Adura, C. / Xie, W. / Tomita, D. / Kamei, T. / Kuryavyi, V. / Gogakos, T. / Steinberg, J.I. / Miller, M. / Ramos-Espiritu, L. / Asano, Y. / Hashizume, S. / Aida, J. / Imaeda, T. / Okamoto, R. / Jennings, A.J. / Michino, M. / Kuroita, T. / Stamford, A. / Gao, P. / Meinke, P. / Glickman, J.F. / Patel, D.J. / Tuschl, T.
External linksNat Commun / PubMed:31113940
MethodsX-ray diffraction
Resolution2.405 - 2.6 Å
Structure data

PDB-6mju:
human cGAS catalytic domain bound with the inhibitor G108
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

PDB-6mjw:
human cGAS catalytic domain bound with the inhibitor G150
Method: X-RAY DIFFRACTION / Resolution: 2.405 Å

PDB-6mjx:
human cGAS catalytic domain bound with cGAMP
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-JUM:
1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-JUJ:
1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one

ChemComp-1SY:
cGAMP

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / human cGAS / DNA sensor / IMMUNE SYSTEM / TRANSFERASE-TRANSFERASE INHIBITOR complex / inhibitor

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