3CO9
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![BU of 3co9 by Molmil](/molmil-images/mine/3co9) | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | Descriptor: | N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7 -yl}methanesulfonamide, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-03-27 | Release date: | 2009-02-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 18, 2008
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3DHE
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![BU of 3dhe by Molmil](/molmil-images/mine/3dhe) | ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE COMPLEXED DEHYDROEPIANDROSTERONE | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE | Authors: | Han, Q, Campbell, R.L, Gangloff, A, Lin, S.X. | Deposit date: | 1998-03-25 | Release date: | 1999-09-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dehydroepiandrosterone and dihydrotestosterone recognition by human estrogenic 17beta-hydroxysteroid dehydrogenase. C-18/c-19 steroid discrimination and enzyme-induced strain. J.Biol.Chem., 275, 2000
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2R5E
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![BU of 2r5e by Molmil](/molmil-images/mine/2r5e) | Aedes kynurenine aminotransferase in complex with glutamine | Descriptor: | Kynurenine aminotransferase, N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-GLUTAMINE | Authors: | Han, Q, Gao, Y.G, Robinson, H, Li, J. | Deposit date: | 2007-09-03 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structural insight into the mechanism of substrate specificity of aedes kynurenine aminotransferase. Biochemistry, 47, 2008
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8W5A
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![BU of 8w5a by Molmil](/molmil-images/mine/8w5a) | |
8W59
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![BU of 8w59 by Molmil](/molmil-images/mine/8w59) | |
4FWE
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![BU of 4fwe by Molmil](/molmil-images/mine/4fwe) | Native structure of LSD2 /AOF1/KDM1b in spacegroup of C2221 at 2.13A | Descriptor: | CITRATE ANION, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1B, ... | Authors: | Zhang, Q, Chen, Z. | Deposit date: | 2012-07-01 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b Cell Res., 23, 2013
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4FWF
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![BU of 4fwf by Molmil](/molmil-images/mine/4fwf) | Complex structure of LSD2/AOF1/KDM1b with H3K4 mimic | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.1, Lysine-specific histone demethylase 1B, ... | Authors: | Zhang, Q, Chen, Z. | Deposit date: | 2012-07-01 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-function analysis reveals a novel mechanism for regulation of histone demethylase LSD2/AOF1/KDM1b Cell Res., 23, 2013
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6LI4
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![BU of 6li4 by Molmil](/molmil-images/mine/6li4) | Crystal structure of MCR-1-S | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1, ZINC ION | Authors: | Zhang, Q, Wang, M, Sun, H. | Deposit date: | 2019-12-10 | Release date: | 2020-09-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin. Nat Commun, 11, 2020
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6LI5
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![BU of 6li5 by Molmil](/molmil-images/mine/6li5) | Crystal structure of apo-MCR-1-S | Descriptor: | Probable phosphatidylethanolamine transferase Mcr-1 | Authors: | Zhang, Q, Wang, M, Sun, H. | Deposit date: | 2019-12-10 | Release date: | 2020-09-16 | Last modified: | 2020-10-28 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Resensitizing carbapenem- and colistin-resistant bacteria to antibiotics using auranofin. Nat Commun, 11, 2020
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6LLN
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![BU of 6lln by Molmil](/molmil-images/mine/6lln) | |
7RYD
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![BU of 7ryd by Molmil](/molmil-images/mine/7ryd) | Hen egg-white lysozyme with ionic liquid butylammonium nitrate 1 mol% | Descriptor: | Lysozyme C, NITRATE ION | Authors: | Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T. | Deposit date: | 2021-08-25 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci, 650, 2023
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7RXY
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![BU of 7rxy by Molmil](/molmil-images/mine/7rxy) | Hen egg-white lysozyme with ionic liquid ethylammonium nitrate 5 mol% | Descriptor: | Lysozyme C, NITRATE ION | Authors: | Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T. | Deposit date: | 2021-08-24 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci, 650, 2023
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7RYK
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![BU of 7ryk by Molmil](/molmil-images/mine/7ryk) | Hen egg-white lysozyme with ionic liquid ethanolammonium nitrate 1 mol% | Descriptor: | Lysozyme C, NITRATE ION | Authors: | Han, Q, Darmanin, C, Smith, K, Drummond, C, Greaves, T. | Deposit date: | 2021-08-25 | Release date: | 2023-03-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci, 650, 2023
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7RZ0
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![BU of 7rz0 by Molmil](/molmil-images/mine/7rz0) | Hen egg-white lysozyme with ionic liquid ethanolammonium formate 6.7 mol% | Descriptor: | ETHANOLAMINE, FORMIC ACID, Lysozyme C | Authors: | Han, Q, Darmanin, C, Drummond, C, Greaves, T. | Deposit date: | 2021-08-27 | Release date: | 2023-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci, 650, 2023
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7RZ2
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![BU of 7rz2 by Molmil](/molmil-images/mine/7rz2) | Hen egg-white lysozyme with ionic liquid ethanolammonium formate 4 mol% | Descriptor: | ETHANOLAMINE, FORMIC ACID, Lysozyme C | Authors: | Han, Q, Darmanin, C, Drummond, C, Greaves, T. | Deposit date: | 2021-08-27 | Release date: | 2023-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci, 650, 2023
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7RZ1
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![BU of 7rz1 by Molmil](/molmil-images/mine/7rz1) | Hen egg-white lysozyme with ionic liquid ethanolammonium formate 14.4 mol% | Descriptor: | ETHANOLAMINE, FORMIC ACID, Lysozyme C | Authors: | Han, Q, Darmanin, C, Drummond, C, Greaves, T. | Deposit date: | 2021-08-27 | Release date: | 2023-03-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.046 Å) | Cite: | Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci, 650, 2023
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4Z8U
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![BU of 4z8u by Molmil](/molmil-images/mine/4z8u) | CRYSTAL STRUCTURE OF AvrRxo1-ORF1:-ORF2 WITH ATP | Descriptor: | ACETATE ION, AvrRxo1-ORF1, AvrRxo1-ORF2, ... | Authors: | Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. | Deposit date: | 2015-04-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2. Structure, 23, 2015
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4Z8T
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![BU of 4z8t by Molmil](/molmil-images/mine/4z8t) | CRYSTAL STRUCTURE OF AvrRxo1-ORF1:AvrRxo1-ORF2 WITH SULPHATE IONS | Descriptor: | ACETATE ION, AvrRxo1-ORF1, AvrRxo1-ORF2, ... | Authors: | Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. | Deposit date: | 2015-04-09 | Release date: | 2015-09-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2. Structure, 23, 2015
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4Z8V
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![BU of 4z8v by Molmil](/molmil-images/mine/4z8v) | CRYSTAL STRUCTURE OF AVRRXO1-ORF1:-ORF2 COMPLEX, NATIVE. | Descriptor: | AvrRxo1-ORF1, AvrRxo1-ORF2, PHOSPHATE ION | Authors: | Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. | Deposit date: | 2015-04-09 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2. Structure, 23, 2015
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4Z8Q
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![BU of 4z8q by Molmil](/molmil-images/mine/4z8q) | CRYSTAL STRUCTURE OF AvrRxo1-ORF1:AvrRxo1-ORF2 COMPLEX, SELENOMETHIONINE SUBSTITUTED. | Descriptor: | AvrRxo1-ORF1, AvrRxo1-ORF2, PHOSPHATE ION | Authors: | Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B. | Deposit date: | 2015-04-09 | Release date: | 2015-09-23 | Last modified: | 2022-03-16 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2. Structure, 23, 2015
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7CY2
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![BU of 7cy2 by Molmil](/molmil-images/mine/7cy2) | |
7CZ2
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![BU of 7cz2 by Molmil](/molmil-images/mine/7cz2) | |
7CYR
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6CJE
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![BU of 6cje by Molmil](/molmil-images/mine/6cje) | Crystal Structure of Mnk2-D228G in complex with Inhibitor | Descriptor: | 4-[(9H-purin-6-yl)amino]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-26 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.36 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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6CJ5
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![BU of 6cj5 by Molmil](/molmil-images/mine/6cj5) | Crystal Structure of Mnk2-D228G in Complex With Inhibitor | Descriptor: | 3-(pyridin-3-yl)imidazo[1,2-a]pyridine-8-carboxamide, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-26 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J. Med. Chem., 61, 2018
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