9BNR

4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor

This is a non-PDB format compatible entry.

Summary for 9BNR

• Entry DOI: 10.2210/pdb9bnr/pdb
• Descriptor: Macrophage migration inhibitory factor, N-[2-(4-sulfamoylphenyl)ethyl]methanethioamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: cytokine, tautomerase, isomerase, isothiocyanate, isomerase inhibitor complex
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 3
• Total formula weight: 38662.74

Authors

Fellner, M.,Rutledge, M.T.,Putha, L.,Kok, L.K.,Gamble, A.B.,Wilbanks, S.M.,Vernall, A.J.,Tyndall, J.D.A. (deposition date: 2024-05-02, release date: 2024-07-24)

• Primary citation: Tyndall, J.,Putha, L.,Kok, L.K.,Fellner, M.,Rutledge, M.T.,Gamble, A.B.,Wilbanks, S.M.,Vernall, A.J.; Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.; Chemmedchem, :e202400394-e202400394, 2024; PubMed: 38977403; DOI: 10.1002/cmdc.202400394

Experimental method

X-RAY DIFFRACTION (1.53 Å)