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Structure paper

TitleMultiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Journal, issue, pagesEur. J. Med. Chem., Vol. 93, Page 501-510, Year 2015
Publish dateDec 16, 2013 (structure data deposition date)
AuthorsSpencer, E.S. / Dale, E.J. / Gommans, A.L. / Rutledge, M.T. / Vo, C.T. / Nakatani, Y. / Gamble, A.B. / Smith, R.A. / Wilbanks, S.M. / Hampton, M.B. / Tyndall, J.D.
External linksEur. J. Med. Chem. / PubMed:25743213
MethodsX-ray diffraction
Resolution1.62 - 2.074 Å
Structure data

PDB-3wnr:
Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor
Method: X-RAY DIFFRACTION / Resolution: 2.008 Å

PDB-3wns:
Allyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor
Method: X-RAY DIFFRACTION / Resolution: 1.658 Å

PDB-3wnt:
Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor
Method: X-RAY DIFFRACTION / Resolution: 2.074 Å

PDB-4osf:
4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

Chemicals

ChemComp-9BE:
N-benzylthioformamide

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-9AI:
N-prop-2-en-1-ylthioformamide

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-4MT:
N-[2-(4-hydroxyphenyl)ethyl]thioformamide

Source
  • homo sapiens (human)
KeywordsISOMERASE/ISOMERASE INHIBITOR / Cytokine / Tautomerase / isomerae / Benzyl isothiocyante / ISOMERASE-ISOMERASE INHIBITOR complex / isomerase / Allyl isothiocyante / ISOMERASE INHIBITOR COMPLEX / 4-(2-isothiocyanatoethyl)phenol

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