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Structure paper

TitleAlternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.
Journal, issue, pagesJ. Biol. Chem., Vol. 282, Page 23089-23095, Year 2007
Publish dateJan 25, 2007 (structure data deposition date)
AuthorsCrichlow, G.V. / Cheng, K.F. / Dabideen, D. / Ochani, M. / Aljabari, B. / Pavlov, V.A. / Miller, E.J. / Lolis, E. / Al-Abed, Y.
External linksJ. Biol. Chem. / PubMed:17526494
MethodsX-ray diffraction
Resolution1.75 - 1.85 Å
Structure data

PDB-2ooh:
Crystal Structure of MIF bound to a Novel Inhibitor, OXIM-11
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-2oow:
MIF Bound to a Fluorinated OXIM Derivative
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-2ooz:
Macrophage Migration Inhibitory Factor (MIF) Complexed with OXIM6 (an OXIM Derivative Not Containing a Ring in its R-group)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-OX3:
4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-OX4:
3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-OX5:
4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME

Source
  • homo sapiens (human)
KeywordsISOMERASE / alternative ligand-binding modes

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