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Structure paper

TitleTLR4/MD-2 activation by a synthetic agonist with no similarity to LPS.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 113, Page E884-E893, Year 2016
Publish dateMar 1, 2016 (structure data deposition date)
AuthorsWang, Y. / Su, L. / Morin, M.D. / Jones, B.T. / Whitby, L.R. / Surakattula, M.M. / Huang, H. / Shi, H. / Choi, J.H. / Wang, K.W. ...Wang, Y. / Su, L. / Morin, M.D. / Jones, B.T. / Whitby, L.R. / Surakattula, M.M. / Huang, H. / Shi, H. / Choi, J.H. / Wang, K.W. / Moresco, E.M. / Berger, M. / Zhan, X. / Zhang, H. / Boger, D.L. / Beutler, B.
External linksProc. Natl. Acad. Sci. USA / PubMed:26831104
MethodsX-ray diffraction
Resolution2.57 - 2.91 Å
Structure data

PDB-5ijb:
The ligand-free structure of the mouse TLR4/MD-2 complex
Method: X-RAY DIFFRACTION / Resolution: 2.91 Å

PDB-5ijc:
The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex
Method: X-RAY DIFFRACTION / Resolution: 2.57 Å

PDB-5ijd:
The crystal structure of mouse TLR4/MD-2/lipid A complex
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

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

ChemComp-V2A:
neoseptin 3

ChemComp-HOH:
WATER

ChemComp-LP4:
2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose

ChemComp-LP5:
(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE

ChemComp-DAO:
LAURIC ACID

ChemComp-MYR:
MYRISTIC ACID

Source
  • mus musculus (house mouse)
  • eptatretus burgeri (inshore hagfish)
KeywordsIMMUNE SYSTEM / leucine-rich repeats / Immune response / protein complex / small molecule agonist / natural agonist

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