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Structure paper

TitleAdding a Hydrogen Bond May Not Help: Naphthyridinone vs Quinoline Inhibitors of Macrophage Migration Inhibitory Factor.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 1287-1291, Year 2017
Publish dateSep 18, 2017 (structure data deposition date)
AuthorsDawson, T.K. / Dziedzic, P. / Robertson, M.J. / Cisneros, J.A. / Krimmer, S.G. / Newton, A.S. / Tirado-Rives, J. / Jorgensen, W.L.
External linksACS Med Chem Lett / PubMed:29259749
MethodsX-ray diffraction
Resolution1.17 - 2.163 Å
Structure data

PDB-6b1c:
Macrophage Migration Inhibitory Factor in complex with a Naphthyridinone Inhibitor (4a)
Method: X-RAY DIFFRACTION / Resolution: 2.163 Å

PDB-6b1k:
Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (3a)
Method: X-RAY DIFFRACTION / Resolution: 1.17 Å

PDB-6b2c:
Macrophage Migration Inhibitory Factor in Complex with a Naphthyridinone Inhibitor (4b)
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-C9J:
2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one

ChemComp-HOH:
WATER

ChemComp-C9G:
2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one

ChemComp-GOL:
GLYCEROL

ChemComp-C9Y:
{2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid

Source
  • homo sapiens (human)
KeywordsISOMERASE/ISOMERASE inhibitor / CD74 BINDING / TAUTOMERASE / INHIBITOR / COMPLEX / ISOMERASE-ISOMERASE INHIBITOR COMPLEX / ISOMERASE

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