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TitleIdentification of 2-Pyridinylindole-Based Dual Antagonists of Toll-like Receptors 7 and 8 (TLR7/8).
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 13, Page 812-818, Year 2022
Publish dateJul 7, 2021 (structure data deposition date)
AuthorsSreekantha, R.K. / Mussari, C.P. / Dodd, D.S. / Pasunoori, L. / Hegde, S. / Posy, S.L. / Critton, D. / Ruepp, S. / Subramanian, M. / Salter-Cid, L.M. ...Sreekantha, R.K. / Mussari, C.P. / Dodd, D.S. / Pasunoori, L. / Hegde, S. / Posy, S.L. / Critton, D. / Ruepp, S. / Subramanian, M. / Salter-Cid, L.M. / Tagore, D.M. / Sarodaya, S. / Dudhgaonkar, S. / Poss, M.A. / Schieven, G.L. / Carter, P.H. / Macor, J.E. / Dyckman, A.J.
External linksAcs Med. Chem. Lett. / PubMed:35586440
MethodsX-ray diffraction
Resolution2.76 Å
Structure data

PDB-7rc9:
Crystal structure of human TLR8 ectodomain bound to small molecule antagonist 21
Method: X-RAY DIFFRACTION / Resolution: 2.76 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-RQY:
2-(2,6-dimethylpyridin-4-yl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsRNA BINDING PROTEIN / Toll-like receptor / pattern recognition receptor / pathogen-associated molecular patterns / innate immunity / endosomal receptor

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