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
|
|
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
|
|
9B0M
| |
8VJ2
| |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
8UZ4
| |
8UR4
| |
8UR2
| |
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
|
|
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
|
|
8SON
| |
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
|
|
8CA0
| |
8AP3
| |
8DQA
| |
8DQ6
| |
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
|
|