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TitleEnzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 10676-10690, Year 2019
Publish dateJun 20, 2019 (structure data deposition date)
AuthorsNovotna, B. / Vanekova, L. / Zavrel, M. / Budesinsky, M. / Dejmek, M. / Smola, M. / Gutten, O. / Tehrani, Z.A. / Pimkova Polidarova, M. / Brazdova, A. ...Novotna, B. / Vanekova, L. / Zavrel, M. / Budesinsky, M. / Dejmek, M. / Smola, M. / Gutten, O. / Tehrani, Z.A. / Pimkova Polidarova, M. / Brazdova, A. / Liboska, R. / Stepanek, I. / Vavrina, Z. / Jandusik, T. / Nencka, R. / Rulisek, L. / Boura, E. / Brynda, J. / Pav, O. / Birkus, G.
External linksJ. Med. Chem. / PubMed:31715099
MethodsX-ray diffraction
Resolution2.05 - 2.802 Å
Structure data

PDB-6s26:
Crystal structure of human wild type STING in complex with 2'-3'-cyclic-GMP-7-deaza-AMP
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-6s27:
Crystal structure of human wild type STING in complex with 2'3'-cyclic-GMP-2'F-2'dAMP
Method: X-RAY DIFFRACTION / Resolution: 2.802 Å

Chemicals

ChemComp-KT2:
2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one

ChemComp-HOH:
WATER

ChemComp-KT8:
2'3'-cyclic-GMP-2'F-2'dAMP

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING / Activator / Membrane protein / Immune system / Receptor

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