4P7S

Crystal structure of PfMIF in complex with 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine

Summary for 4P7S

• Entry DOI: 10.2210/pdb4p7s/pdb
• Related: 4P7M
• Descriptor: Macrophage migration inhibitory factor-like protein, 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine (2 entities in total)
• Functional Keywords: inhibitor, malaria complex active site, cytokine-inhibitor complex, cytokine/inhibitor
• Biological source: Plasmodium falciparum
• Total number of polymer chains: 3
• Total formula weight: 38669.46

Authors

Pantouris, G.,Lolis, E. (deposition date: 2014-03-27, release date: 2014-10-15, Last modification date: 2023-12-27)

Primary citation

Pantouris, G.,Rajasekaran, D.,Garcia, A.B.,Ruiz, V.G.,Leng, L.,Jorgensen, W.L.,Bucala, R.,Lolis, E.J.
Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors.
J.Med.Chem., 57:8652-8656, 2014

PubMed Abstract: We report the crystal structures of two inhibitors of Plasmodium falciparum macrophage migration inhibitory factor (PfMIF) with nanomolar Ki's, analyze their interactions with the active site of PfMIF, and provide explanations regarding their selectivity of PfMIF versus human MIF. These inhibitors were also found to selectively inhibit interactions between PfMIF and the human MIF receptor CD74. The results of this study provide the framework for the development of new therapeutics that target PfMIF.

PubMed: 25268646
DOI: 10.1021/jm501168q

Experimental method

X-RAY DIFFRACTION (2.87 Å)