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8VDY	Crystal Structure of Delta 114-117 D-Dopachrome Tautomerase (D-DT) Descriptor: D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-18 Release date: 2024-05-01 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.44 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 2024
8VG7	Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Descriptor: D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-23 Release date: 2024-05-01 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.24 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 2024
8VFO	Crystal Structure of L117G Variant of D-Dopachrome Tautomerase (D-DT) Descriptor: CITRIC ACID, D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-21 Release date: 2024-05-01 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.35 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 2024
8VFW	Crystal Structure of V113N D-Dopachrome Tautomerase (D-DT) Descriptor: CITRIC ACID, D-dopachrome decarboxylase Authors: Parkins, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-22 Release date: 2024-05-01 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.31 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 2024
8VFL	Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 290K Descriptor: D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-21 Release date: 2024-05-01 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.23 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 2024
8VFN	Crystal Structure of WT D-Dopachrome Tautomerase (D-DT) at 310K Descriptor: D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-21 Release date: 2024-05-01 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (1.29 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 2024
8VG5	Crystal Structure of V113N Variant of D-Dopachrome Tautomerase (D-DT) Bound with 4CPPC Descriptor: 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, CITRIC ACID, D-dopachrome decarboxylase Authors: Parkins, A, Pilien, A, Thompson, M.C, Pantouris, G. Deposit date: 2023-12-22 Release date: 2024-05-01 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes. J.Med.Chem., 2024
9B0M	Crystal structure of Macrophage migration inhibitory factor from Plasmodium vivax Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, L-dopachrome isomerase Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2024-03-12 Release date: 2024-03-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of Macrophage migration inhibitory factor from Plasmodium vivax To be published
3IJJ	Ternary Complex of Macrophage Migration Inhibitory Factor (MIF) Bound Both to 4-hydroxyphenylpyruvate and to the Allosteric Inhibitor AV1013 (R-stereoisomer) Descriptor: (2E)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoic acid, (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ... Authors: Crichlow, G.V, Cho, Y, Lolis, E.J. Deposit date: 2009-08-04 Release date: 2010-06-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast. Proc.Natl.Acad.Sci.USA, 107, 2010
3IJG	Macrophage Migration Inhibitory Factor (MIF) Bound to the (R)-Stereoisomer of AV1013 Descriptor: (2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one, CHLORIDE ION, Macrophage migration inhibitory factor Authors: Crichlow, G.V, Cho, Y, Lolis, E.J. Deposit date: 2009-08-04 Release date: 2010-06-16 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Allosteric inhibition of macrophage migration inhibitory factor revealed by ibudilast. Proc.Natl.Acad.Sci.USA, 107, 2010
3KAN	D-dopachrome tautomerase (D-DT)/macrophage migration inhibitory factor 2 (MIF2) complexed with inhibitor 4-IPP Descriptor: 4-phenylpyrimidine, CHLORIDE ION, D-dopachrome tautomerase Authors: Zierow, S, Lolis, E. Deposit date: 2009-10-19 Release date: 2011-04-20 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment. Faseb J., 28, 2014
4NWR	Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-28 Descriptor: Macrophage migration inhibitory factor-like protein, integron gene cassette protein Authors: McNamara, D.E, King, N.P, Bale, J.B, Sheffler, W, Baker, D, Yeates, T.O. Deposit date: 2013-12-06 Release date: 2014-05-28 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Accurate design of co-assembling multi-component protein nanomaterials. Nature, 510, 2014
3JSF	Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 638 at 1.93a resolution Descriptor: 7-(2-fluorobenzyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION Authors: Mclean, L, Zhang, Y. Deposit date: 2009-09-10 Release date: 2009-11-10 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening. Bioorg.Med.Chem.Lett., 19, 2009
3JSG	Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 707 at 1.58a resolution Descriptor: 7-(pyridin-3-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION Authors: Mclean, L, Zhang, Y. Deposit date: 2009-09-10 Release date: 2009-11-10 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening. Bioorg.Med.Chem.Lett., 19, 2009
4P0H	Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with Dimethylformamide Descriptor: DIMETHYLFORMAMIDE, GLYCEROL, Macrophage migration inhibitory factor Authors: Pantouris, G, Lolis, E. Deposit date: 2014-02-21 Release date: 2014-04-02 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.93 Å) Cite: An Analysis of MIF Structural Features that Control Functional Activation of CD74. Chem.Biol., 22, 2015
3JTU	Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 708 at 1.86a resolution Descriptor: 7-(pyridin-2-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION Authors: Mclean, L, Zhang, Y. Deposit date: 2009-09-14 Release date: 2009-11-10 Last modified: 2017-11-01 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening. Bioorg.Med.Chem.Lett., 19, 2009
4OYQ	(6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor Descriptor: 6-isothiocyanatohexylbenzene, GLYCEROL, Macrophage migration inhibitory factor, ... Authors: Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. Deposit date: 2014-02-12 Release date: 2014-03-05 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.7 Å) Cite: To be published To be published
4OSF	4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor Descriptor: CHLORIDE ION, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... Authors: Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. Deposit date: 2014-02-12 Release date: 2014-03-12 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
3KER	D-Dopachrome tautomerase (D-DT)/ macrophage migration inhibitory factor 2 (MIF2) complexed with inhibitor 4-IPP Descriptor: 4-phenylpyrimidine, CHLORIDE ION, D-dopachrome decarboxylase, ... Authors: Zierow, S, Lolis, E. Deposit date: 2009-10-26 Release date: 2010-10-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.78 Å) Cite: Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment. Faseb J., 28, 2014
4P01	Crystal Structure Analysis of Macrophage Migration Inhibitory Factor in complex with N-[(4-cyanophenyl)methyl]methanethioamide Descriptor: CHLORIDE ION, GLYCEROL, ISOPROPYL ALCOHOL, ... Authors: Pantouris, G, Lolis, E. Deposit date: 2014-02-19 Release date: 2014-03-19 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.07 Å) Cite: An Analysis of MIF Structural Features that Control Functional Activation of CD74. Chem.Biol., 22, 2015
4P7M	Crystal structure of Plasmodium falciparum MIF in complex with 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol Descriptor: 3-[(2-methyl-6-phenylpyridin-4-yl)oxy]phenol, Macrophage migration inhibitory factor-like protein Authors: Pantouris, G, Lolis, E. Deposit date: 2014-03-27 Release date: 2014-10-15 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (3.02 Å) Cite: Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors. J.Med.Chem., 57, 2014
4P7S	Crystal structure of PfMIF in complex with 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine Descriptor: 4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)-6-methylpyridine, Macrophage migration inhibitory factor-like protein Authors: Pantouris, G, Lolis, E. Deposit date: 2014-03-27 Release date: 2014-10-15 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.87 Å) Cite: Crystallographic and Receptor Binding Characterization of Plasmodium falciparum Macrophage Migration Inhibitory Factor Complexed to Two Potent Inhibitors. J.Med.Chem., 57, 2014
3L5T	Crystal structure of macrophage migration inhibitory factor (MIF) with thiophenepiperazinylquinolinone inhibitor at 1.86A resolution Descriptor: 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile, Macrophage migration inhibitory factor, SULFATE ION Authors: McLean, L, Zhang, Y. Deposit date: 2009-12-22 Release date: 2010-03-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site. Bioorg.Med.Chem.Lett., 20, 2010
4PKZ	Crystal structure of P1M mutant of Macrophage Migration Inhibitory Factor Descriptor: ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, SULFATE ION Authors: Pantouris, G, Lolis, E. Deposit date: 2014-05-15 Release date: 2015-09-30 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: An Analysis of MIF Structural Features that Control Functional Activation of CD74. Chem.Biol., 22, 2015
3L5R	Crystal structure of macrophage migration inhibitory factor (MIF) with phenylchromenone inhibitor at 1.94A resolution Descriptor: 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, GLYCEROL, Macrophage migration inhibitory factor, ... Authors: McLean, L, Zhang, Y. Deposit date: 2009-12-22 Release date: 2010-03-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site. Bioorg.Med.Chem.Lett., 20, 2010

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