7VWW
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8AP3
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7EUA
| X-ray structure of a P93A Monellin mutant | Descriptor: | Monellin, SULFATE ION | Authors: | Manjula, R, Bhatia, S, Jayant, B, Ramaswamy, S, Gosavi, S. | Deposit date: | 2021-05-16 | Release date: | 2021-08-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | X-ray structure of a P93A Monellin mutant To Be Published
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7D75
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7DA8
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6LAY
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6L4J
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6L44
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6L4N
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6L4I
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5YTU
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5YUL
| Native Structure of hSOD1 in P6322 space group | Descriptor: | Dihydrogen tetrasulfide, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | Authors: | Manjula, R, Padmanabhan, B. | Deposit date: | 2017-11-22 | Release date: | 2018-11-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation FEBS Lett., 592, 2018
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6A9O
| Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis | Descriptor: | 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, DIMETHYL SULFOXIDE, Dihydrogen tetrasulfide, ... | Authors: | Manjula, R, Padmanabhan, B. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis. J.Biomol.Struct.Dyn., 37, 2019
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8DQA
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8DQ6
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7KQX
| MIF Y99C homotrimeric mutant | Descriptor: | GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | Authors: | Manjula, R, Georgios, P, Lolis, E.J. | Deposit date: | 2020-11-18 | Release date: | 2022-01-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Cysteine Variant at an Allosteric Site Alters MIF Dynamics and Biological Function in Homo- and Heterotrimeric Assemblies. Front Mol Biosci, 9, 2022
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7MW7
| Crystal structure of P1G mutant of D-dopachrome tautomerase | Descriptor: | D-dopachrome decarboxylase, SODIUM ION, SULFATE ION | Authors: | Manjula, R, Murphy, E.L, Murphy, J.W, Lolis, E. | Deposit date: | 2021-05-15 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase. J.Biol.Chem., 297, 2021
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5YTO
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4YZO
| Crystal Structure Analysis of Thiolase-like protein, ST0096 from Sulfolobus Tokodaii | Descriptor: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Padmanabhan, B, Manjula, R, Yokoyama, S, Bessho, Y. | Deposit date: | 2015-03-25 | Release date: | 2016-03-30 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure Analysis of Thiolase-like protein, ST0096 from Sulfolobus Tokodaii To Be Published
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7MRU
| Crystal structure of S62A MIF2 mutant | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, D-dopachrome decarboxylase | Authors: | Murphy, E.L, Manjula, R, Murphy, J.W, Lolis, E. | Deposit date: | 2021-05-09 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase. J.Biol.Chem., 297, 2021
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7MSE
| High-resolution crystal structure of hMIF2 with tartrate at the active site | Descriptor: | D-dopachrome decarboxylase, L(+)-TARTARIC ACID | Authors: | Murphy, E.L, Manjula, R, Murphy, J.W, Lolis, E. | Deposit date: | 2021-05-11 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase. J.Biol.Chem., 297, 2021
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7MRV
| F100A mutant structure of MIF2 (D-DT) | Descriptor: | D-dopachrome decarboxylase, SULFATE ION | Authors: | Murphy, E.L, Manjula, R, Murphy, J.W, Lolis, E. | Deposit date: | 2021-05-09 | Release date: | 2021-08-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | A structurally preserved allosteric site in the MIF superfamily affects enzymatic activity and CD74 activation in D-dopachrome tautomerase. J.Biol.Chem., 297, 2021
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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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5IG6
| Ultra-high resolution crystal structure of second bromodomain of BRD2 in complex with inhibitor 6B3 | Descriptor: | 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, Bromodomain-containing protein 2, CHLORIDE ION, ... | Authors: | Tripathi, S.K, Padmanabhan, B. | Deposit date: | 2016-02-27 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | A Novel Phenanthridionone Based Scaffold As a Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex Plos One, 11, 2016
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5IBN
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