3BSA
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![BU of 3bsa by Molmil](/molmil-images/mine/3bsa) | Crystal Structure of HCV NS5B Polymerase with a Novel Pyridazinone Inhibitor | Descriptor: | 2-({3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothia diazin-7-yl}oxy)acetamide, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2007-12-23 | Release date: | 2008-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda6-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 1: exploration of 7'-substitution of benzothiadiazine. Bioorg.Med.Chem.Lett., 18, 2008
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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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6CK6
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![BU of 6ck6 by Molmil](/molmil-images/mine/6ck6) | Crystal Structure of Mnk2-D228G in complex with Inhibitor | Descriptor: | 6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-27 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.32 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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6CKI
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![BU of 6cki by Molmil](/molmil-images/mine/6cki) | Co-crystal structure of MNK2 in Complex With Inhibitor | Descriptor: | 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-28 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (2.95 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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6CJH
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![BU of 6cjh by Molmil](/molmil-images/mine/6cjh) | Co-crystal structure of MNK2 in complex with an inhibitor | Descriptor: | 3-phenyl-5-(pyridin-4-yl)-1H-indazole, 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 (3.6 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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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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6CJY
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![BU of 6cjy by Molmil](/molmil-images/mine/6cjy) | Crystal Structure of Mnk2-D228G in complex with Inhibitor | Descriptor: | 5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-27 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (3.05 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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6CK3
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![BU of 6ck3 by Molmil](/molmil-images/mine/6ck3) | Co-crytsal Structure of MNK2 in Complex With an Inhibitor | Descriptor: | (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one, CHLORIDE ION, MAP kinase-interacting serine/threonine-protein kinase 2, ... | Authors: | Han, Q. | Deposit date: | 2018-02-27 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (2.9 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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6CJW
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![BU of 6cjw by Molmil](/molmil-images/mine/6cjw) | Crystal Structure of Mnk2-D228G in Complex With Inhibitor | Descriptor: | 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Han, Q. | Deposit date: | 2018-02-27 | Release date: | 2018-05-09 | Method: | X-RAY DIFFRACTION (3.38 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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3H2L
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![BU of 3h2l by Molmil](/molmil-images/mine/3h2l) | Crystal structure of HCV NS5B polymerase in complex with a novel bicyclic dihydro-pyridinone inhibitor | Descriptor: | N-{3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, NS5B polymerase | Authors: | Han, Q, Showalter, R.E, Zhou, Q, Kissinger, C.R. | Deposit date: | 2009-04-14 | Release date: | 2009-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of tricyclic 5,6-dihydro-1H-pyridin-2-ones as novel, potent, and orally bioavailable inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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5YAG
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![BU of 5yag by Molmil](/molmil-images/mine/5yag) | Crystal structure of mosquito arylalkylamine N-Acetyltransferase like 5b/spermine N-Acetyltransferase | Descriptor: | AAEL004827-PA, GLYCEROL | Authors: | Han, Q, Guan, H, Robinson, H, Li, J. | Deposit date: | 2017-08-31 | Release date: | 2018-02-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Identification of aaNAT5b as a spermine N-acetyltransferase in the mosquito, Aedes aegypti. PLoS ONE, 13, 2018
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3D28
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![BU of 3d28 by Molmil](/molmil-images/mine/3d28) | Crystal structure of hcv ns5b polymerase with a novel benzisothiazole inhibitor | Descriptor: | (5S)-1-benzyl-3-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-hydroxy-5-(1-methylethyl)-1,5-dihydro-2H-pyrrol-2-one, RNA-directed RNA polymerase | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-05-07 | Release date: | 2009-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg.Med.Chem.Lett., 18, 2008
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3E51
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![BU of 3e51 by Molmil](/molmil-images/mine/3e51) | Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-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: | 2008-08-12 | Release date: | 2009-08-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg.Med.Chem.Lett., 18, 2008
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3CWJ
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![BU of 3cwj by Molmil](/molmil-images/mine/3cwj) | Crystal structure of hcv ns5b polymerase with a novel pyridazinone inhibitor | Descriptor: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | Authors: | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | Deposit date: | 2008-04-21 | Release date: | 2009-04-21 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase Bioorg.Med.Chem.Lett., 18, 2008
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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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3V3Q
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![BU of 3v3q by Molmil](/molmil-images/mine/3v3q) | Crystal Structure of Human Nur77 Ligand-binding Domain in Complex with Ethyl 2-[2,3,4 trimethoxy-6(1-octanoyl)phenyl]acetate | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1, SODIUM ION, ... | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-14 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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3V3E
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![BU of 3v3e by Molmil](/molmil-images/mine/3v3e) | Crystal Structure of the Human Nur77 Ligand-binding Domain | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | Authors: | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | Deposit date: | 2011-12-13 | Release date: | 2012-09-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK Nat.Chem.Biol., 8, 2012
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5JJW
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![BU of 5jjw by Molmil](/molmil-images/mine/5jjw) | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain | Descriptor: | 1,2-ETHANEDIOL, Squamous cell carcinoma antigen recognized by T-cells 3, UNKNOWN ATOM OR ION, ... | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2016-04-25 | Release date: | 2016-05-04 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain to be published
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5JJX
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![BU of 5jjx by Molmil](/molmil-images/mine/5jjx) | Crystal structure of the HAT domain of sart3 | Descriptor: | CHLORIDE ION, Squamous cell carcinoma antigen recognized by T-cells 3, UNKNOWN ATOM OR ION | Authors: | DONG, A, ZHANG, Q, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2016-04-25 | Release date: | 2016-05-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the HAT domain of sart3 to be published
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5KH8
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![BU of 5kh8 by Molmil](/molmil-images/mine/5kh8) | |
4Z30
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![BU of 4z30 by Molmil](/molmil-images/mine/4z30) | Crystal structure of the ROQ domain of human Roquin-2 | Descriptor: | Roquin-2, UNKNOWN ATOM OR ION | Authors: | DONG, A, ZHANG, Q, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, TONG, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-30 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities of Roquins. Sci Rep, 5, 2015
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1SH4
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![BU of 1sh4 by Molmil](/molmil-images/mine/1sh4) | |
3O03
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![BU of 3o03 by Molmil](/molmil-images/mine/3o03) | Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2 | Descriptor: | CALCIUM ION, D-gluconic acid, Dehydrogenase with different specificities, ... | Authors: | Peng, H, Gao, F, Zhang, Q, Liu, Y, Gao, G.F. | Deposit date: | 2010-07-18 | Release date: | 2010-12-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Insight Into the Catalytic Mechanism of Gluconate 5-Dehydrogenase from Streptococcus Suis: Crystal Structures of the Substrate-Free and Quaternary Complex Enzymes. Protein Sci., 18, 2009
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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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