9BNR
 
 | | 4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | Macrophage migration inhibitory factor, N-[2-(4-sulfamoylphenyl)ethyl]methanethioamide, SULFATE ION | | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | | Deposit date: | 2024-05-02 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
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9BNQ
 | | N-(4-(isothiocyanatomethyl)phenyl)methanesulfonamide complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-{[4-(methanesulfonamido)phenyl]methyl}methanethioamide, ... | | Authors: | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | | Deposit date: | 2024-05-02 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments.
Chemmedchem, 2024
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9B0M
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8VJ2
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8VG8
 | | Crystal Structure of T115A Variant of D-Dopachrome Tautomerase (D-DT) Bound to 4CPPC | | Descriptor: | 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid, 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: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
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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: | 2024-05-22 | | 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., 67, 2024
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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: | 2024-05-22 | | 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., 67, 2024
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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: | 2024-05-22 | | 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., 67, 2024
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8VFK
 | | Crystal Structure of Delta 109-117 D-Dopachrome Tautomerase (D-DT) | | Descriptor: | CITRATE ANION, D-dopachrome decarboxylase, SODIUM ION | | Authors: | Parkins, A, Pilien, A, Wolff, A, Thompson, M.C, Pantouris, G. | | Deposit date: | 2023-12-21 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | The C-terminal Region of D-DT Regulates Molecular Recognition for Protein-Ligand Complexes.
J.Med.Chem., 67, 2024
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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: | 2024-05-22 | | 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., 67, 2024
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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: | 2024-05-22 | | 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., 67, 2024
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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: | 2024-05-22 | | 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., 67, 2024
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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: | 2024-05-22 | | 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., 67, 2024
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8UZ4
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8UR4
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8UR2
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8TT9
 | | X-ray structure of Macrophage Migration Inhibitory Factor (MIF) Covalently Bound to 4-hydroxyphenylpyruvate (HPP) | | Descriptor: | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor | | Authors: | Schroder, G.C, Meilleur, F, Nix, J.C, Crichlow, G.V, Lolis, E.J. | | Deposit date: | 2023-08-13 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | X-ray structure of Macrophage Migration Inhibitory Factor (MIF) Covalently Bound to 4-hydroxyphenylpyruvate (HPP)
To Be Published
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8SPN
 | | Crystal structure of macrophage migration inhibitory factor in complex with T614 | | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Iguratimod, ... | | Authors: | Pantouris, G, Lolis, E. | | Deposit date: | 2023-05-03 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Iguratimod, an allosteric inhibitor of macrophage migration inhibitory factor (MIF), prevents mortality and oxidative stress in a murine model of acetaminophen overdose.
Mol Med, 30, 2024
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8SON
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8IMR
 | | Structure of ligand-free human macrophage migration inhibitory factor | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | | Authors: | Sugishima, K, Noguchi, K, Yohda, M, Odaka, M, Matsumura, H. | | Deposit date: | 2023-03-07 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Identification of methotrexate as an inhibitor of macrophage migration inhibitory factor by high-resolution crystal structure analysis
To Be Published
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8CA0
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8AP3
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8DQA
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8DQ6
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8DBB
 | | Crystal structure of DDT with the selective inhibitor 2,5-Pyridinedicarboxylic Acid | | Descriptor: | CITRIC ACID, D-dopachrome decarboxylase, pyridine-2,5-dicarboxylic acid | | Authors: | Parkins, A, Banumathi, S, Pantouris, G. | | Deposit date: | 2022-06-14 | | Release date: | 2023-03-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | 2,5-Pyridinedicarboxylic acid is a bioactive and highly selective inhibitor of D-dopachrome tautomerase.
Structure, 31, 2023
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