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Structure paper

TitleStructural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Journal, issue, pagesNat Commun, Vol. 12, Page 582-582, Year 2021
Publish dateNov 10, 2020 (structure data deposition date)
AuthorsMcMillan, D. / Martinez-Fleites, C. / Porter, J. / Fox 3rd, D. / Davis, R. / Mori, P. / Ceska, T. / Carrington, B. / Lawson, A. / Bourne, T. / O'Connell, J.
External linksNat Commun / PubMed:33495441
MethodsX-ray diffraction
Resolution2.15 - 3.15 Å
Structure data

PDB-7kp7:
asymmetric mTNF-alpha hTNFR1 complex
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-7kp8:
asymmetric mTNF-alpha hTNFR1 complex
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

PDB-7kp9:
asymmetric hTNF-alpha
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-SO4:
SULFATE ION

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

ChemComp-HOH:
WATER

ChemComp-A7G:
1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole

Source
  • mus musculus (house mouse)
  • homo sapiens (human)
KeywordsCYTOKINE / Tumour necrosis factor alpha / TNF / Receptor / TNFR1 / asymmetric / protein-protein inhibitor

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