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TitleStructure-Based Design of Human TLR8-Specific Agonists with Augmented Potency and Adjuvanticity.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 7833-7849, Year 2015
Publish dateJul 3, 2015 (structure data deposition date)
AuthorsBeesu, M. / Caruso, G. / Salyer, A.C. / Khetani, K.K. / Sil, D. / Weerasinghe, M. / Tanji, H. / Ohto, U. / Shimizu, T. / David, S.A.
External linksJ. Med. Chem. / PubMed:26351878
MethodsX-ray diffraction
Resolution2.05 - 2.1 Å
Structure data

PDB-5awb:
Crystal structure of human TLR8 in complex with N1-3-aminomethylbenzyl (meta-amine)
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5awd:
Crystal structure of human TLR8 in complex with N1-4-aminomethylbenzyl (IMDQ)
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

ChemComp-M0A:
1-[[3-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine

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

ChemComp-HOH:
WATER

ChemComp-IDQ:
1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine

Source
  • homo sapiens (human)
KeywordsIMMUNE SYSTEM / TLR8 / ADJUVANT / VACCINE ADJUVANTS / LINNATE IMMUNITY / GLYCOSYLATION

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