6W0X
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2J7Z
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![BU of 2j7z by Molmil](/molmil-images/mine/2j7z) | Crystal Structure of recombinant Human Stromal Cell-Derived Factor- 1alpha | Descriptor: | STROMAL CELL-DERIVED FACTOR 1 ALPHA | Authors: | Ryu, E.K, Kim, T.G, Kwon, T.H, Jung, I.D, Ryu, D.W, Park, Y.-M, Ahn, K, Ban, C. | Deposit date: | 2006-10-18 | Release date: | 2006-10-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Recombinant Human Stromal Cell-Derived Factor-1Alpha. Proteins, 67, 2007
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4DL1
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![BU of 4dl1 by Molmil](/molmil-images/mine/4dl1) | Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one, CALCIUM ION, ... | Authors: | Vajdos, F, Varghese, A. | Deposit date: | 2012-02-05 | Release date: | 2012-03-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Deconstruction of activity-dependent covalent modification of heme in human neutrophil myeloperoxidase by multistage mass spectrometry (MS(4)). Biochemistry, 51, 2012
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5WBQ
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![BU of 5wbq by Molmil](/molmil-images/mine/5wbq) | Structure of human Ketohexokinase complexed with hits from fragment screening | Descriptor: | 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile, CHLORIDE ION, Ketohexokinase, ... | Authors: | Pandit, J. | Deposit date: | 2017-06-29 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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5WBO
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5WBZ
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![BU of 5wbz by Molmil](/molmil-images/mine/5wbz) | Structure of human Ketohexokinase complexed with hits from fragment screening | Descriptor: | 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | Authors: | Pandit, J. | Deposit date: | 2017-06-29 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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5WBM
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5WBR
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![BU of 5wbr by Molmil](/molmil-images/mine/5wbr) | Structure of human Ketohexokinase complexed with hits from fragment screening | Descriptor: | 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... | Authors: | Pandit, J. | Deposit date: | 2017-06-29 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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5WBP
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3DIE
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6ZUI
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![BU of 6zui by Molmil](/molmil-images/mine/6zui) | Crystal structure of the Cys-Ser mutant of the cpYFP-based biosensor for hypochlorous acid | Descriptor: | HTH-type transcriptional repressor NemR,Green fluorescent protein,Green fluorescent protein,HTH-type transcriptional repressor NemR | Authors: | Tossounian, M.A, Van Molle, I, Messens, J. | Deposit date: | 2020-07-23 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.200082 Å) | Cite: | Hypocrates is a genetically encoded fluorescent biosensor for (pseudo)hypohalous acids and their derivatives. Nat Commun, 13, 2022
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6QFS
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![BU of 6qfs by Molmil](/molmil-images/mine/6qfs) | Chargeless variant of the Cellulose-binding domain from Cellulomonas fimi | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ... | Authors: | Young, D.R, Hoejgaard, C, Messens, J, Winther, J.R. | Deposit date: | 2019-01-10 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Charge Interactions in a Highly Charge-depleted Protein J.Am.Chem.Soc., 2021
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6V9C
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![BU of 6v9c by Molmil](/molmil-images/mine/6v9c) | Crystal structure of FGFR4 kinase domain in complex with covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide, SULFATE ION | Authors: | Liu, J, Liu, H. | Deposit date: | 2019-12-13 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Selective, Covalent FGFR4 Inhibitors with Antitumor Activity in Models of Hepatocellular Carcinoma. Acs Med.Chem.Lett., 11, 2020
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5IDP
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![BU of 5idp by Molmil](/molmil-images/mine/5idp) | CDK8-CYCC IN COMPLEX WITH (3-Amino-1H-indazol-5-yl)-[(S)-2-(4-fluoro-phenyl)-piperidin-1-yl]-methanone | Descriptor: | (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | Deposit date: | 2016-02-24 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
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5ICP
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![BU of 5icp by Molmil](/molmil-images/mine/5icp) | CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]thiadiazol-2-yl)-methanone | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | Deposit date: | 2016-02-23 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
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5IDN
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![BU of 5idn by Molmil](/molmil-images/mine/5idn) | CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-methanone | Descriptor: | 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... | Authors: | Musil, D, Blagg, J, Mallinger, A, Czodrowski, P, Schiemann, K. | Deposit date: | 2016-02-24 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening. J. Med. Chem., 59, 2016
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5I5Z
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![BU of 5i5z by Molmil](/molmil-images/mine/5i5z) | CDK8-CYCC IN COMPLEX WITH 8-(1-Methyl-2,2-dioxo-2,3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-[1,6]naphthyridine-2-carboxylic acid methylamide | Descriptor: | Cyclin-C, Cyclin-dependent kinase 8, FORMIC ACID, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2016-02-15 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19. Acs Med.Chem.Lett., 7, 2016
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2LQQ
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![BU of 2lqq by Molmil](/molmil-images/mine/2lqq) | Oxidized Mrx1 | Descriptor: | Putative glutaredoxin Rv3198.1/MT3292 | Authors: | Buts, L, Van Laer, K, Messens, J. | Deposit date: | 2012-03-11 | Release date: | 2012-10-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Mycoredoxin-1 is one of the missing links in the oxidative stress defence mechanism of Mycobacteria. Mol.Microbiol., 86, 2012
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4FIW
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2LQO
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![BU of 2lqo by Molmil](/molmil-images/mine/2lqo) | Mrx1 reduced | Descriptor: | Putative glutaredoxin Rv3198.1/MT3292 | Authors: | Buts, L, Van Laer, K, Messens, J. | Deposit date: | 2012-03-10 | Release date: | 2012-10-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mycoredoxin-1 is one of the missing links in the oxidative stress defence mechanism of Mycobacteria. Mol.Microbiol., 86, 2012
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4XIH
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5O84
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![BU of 5o84 by Molmil](/molmil-images/mine/5o84) | Glutathione S-transferase Tau 23 (partially oxidized) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FORMIC ACID, ... | Authors: | Young, D.R, Van Molle, I, Tossounian, M, Messens, J. | Deposit date: | 2017-06-12 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage. Biochim. Biophys. Acta, 1862, 2018
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2O85
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![BU of 2o85 by Molmil](/molmil-images/mine/2o85) | S. Aureus thioredoxin P31T mutant | Descriptor: | Thioredoxin | Authors: | Roos, G, Loris, R, Messens, J. | Deposit date: | 2006-12-12 | Release date: | 2007-07-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The conserved active site proline determines the reducing power of Staphylococcus aureus thioredoxin J.Mol.Biol., 368, 2007
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2O87
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![BU of 2o87 by Molmil](/molmil-images/mine/2o87) | S. aureus thioredoxin P31S mutant | Descriptor: | Thioredoxin | Authors: | Roos, G, Loris, R, Messens, J. | Deposit date: | 2006-12-12 | Release date: | 2007-07-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The conserved active site proline determines the reducing power of Staphylococcus aureus thioredoxin J.Mol.Biol., 368, 2007
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2O89
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![BU of 2o89 by Molmil](/molmil-images/mine/2o89) | S. aureus thioredoxin P31T/C32S mutant | Descriptor: | Thioredoxin | Authors: | Roos, G, Loris, R, Messens, J. | Deposit date: | 2006-12-12 | Release date: | 2007-07-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The conserved active site proline determines the reducing power of Staphylococcus aureus thioredoxin J.Mol.Biol., 368, 2007
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