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TitleDeterminants of Activity at Human Toll-like Receptors 7 and 8: Quantitative Structure-Activity Relationship (QSAR) of Diverse Heterocyclic Scaffolds
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 7955-7970, Year 2014
Publish dateMay 9, 2014 (structure data deposition date)
AuthorsYoo, E. / Salunke, D.B. / Sil, D. / Guo, X. / Salyer, A.C.D. / Hermanson, A.R. / Kumar, M. / Malladi, S.S. / Balakrishna, R. / Thompson, W.H. ...Yoo, E. / Salunke, D.B. / Sil, D. / Guo, X. / Salyer, A.C.D. / Hermanson, A.R. / Kumar, M. / Malladi, S.S. / Balakrishna, R. / Thompson, W.H. / Tanji, H. / Ohto, U. / Shimizu, T. / David, S.A.
External linksJ. Med. Chem. / PubMed:25192394
MethodsX-ray diffraction
Resolution2 - 2.1 Å
Structure data

PDB-4qbz:
Crystal structure of human TLR8 in complex with DS-802
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-4qc0:
Crystal structure of human TLR8 in complex with XG-1-236
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

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

ChemComp-D80:
2-butyl[1,3]oxazolo[4,5-c]quinolin-4-amine

ChemComp-HOH:
WATER

ChemComp-XG1:
2-butyl-2H-pyrazolo[3,4-c]quinolin-4-amine

Source
  • homo sapiens (human)
KeywordsRNA BINDING PROTEIN / Leucine rich repeat / Glycosylation / innate immunity / RNA recognition / ssRNA / RNA Binding / Secreted / Structure-based Ligand Design / TLR8 and TLR7 agonist / vaccine adjuvants / RNA Receptor / Antiviral and Antitumor Drug Binding

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