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Structure paper

TitleDesign, synthesis, and protein crystallography of biaryltriazoles as potent tautomerase inhibitors of macrophage migration inhibitory factor.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 137, Page 2996-3003, Year 2015
Publish dateOct 23, 2014 (structure data deposition date)
AuthorsDziedzic, P. / Cisneros, J.A. / Robertson, M.J. / Hare, A.A. / Danford, N.E. / Baxter, R.H. / Jorgensen, W.L.
External linksJ. Am. Chem. Soc. / PubMed:25697265
MethodsX-ray diffraction
Resolution1.81 - 2.6 Å
Structure data

PDB-4wr8:
Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180)
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-4wrb:
Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-190)
Method: X-RAY DIFFRACTION / Resolution: 1.81 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-3TX:
4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-3TW:
4-{4-[6-(2-methoxyethoxy)quinolin-2-yl]-1H-1,2,3-triazol-1-yl}phenol

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsISOMERASE/ISOMERASE INHIBITOR / CD74 binding / tautomerase / inhibitor / complex / ISOMERASE-ISOMERASE INHIBITOR complex

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