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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4FD7
 | | Crystal structure of insect putative arylalkylamine N-Acetyltransferase 7 from the yellow fever mosquito Aedes aegypt | | Descriptor: | 1,2-ETHANEDIOL, IODIDE ION, SULFATE ION, ... | | Authors: | Han, Q, Robinson, R, Li, J. | | Deposit date: | 2012-05-26 | | Release date: | 2012-06-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of insect arylalkylamine N-acetyltransferases: structural evidence from the yellow fever mosquito, Aedes aegypti.
Proc.Natl.Acad.Sci.USA, 109, 2012
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2R2N
 | | The crystal structure of human kynurenine aminotransferase II in complex with kynurenine | | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, GLYCEROL, ... | | Authors: | Han, Q, Robinson, H, Li, J. | | Deposit date: | 2007-08-27 | | Release date: | 2007-12-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of human kynurenine aminotransferase II.
J.Biol.Chem., 283, 2008
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4FD6
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2R5C
 | | Aedes Kynurenine Aminotransferase in Complex with Cysteine | | Descriptor: | Kynurenine aminotransferase, N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-CYSTEINE | | Authors: | Han, Q, Gao, Y.G, Robinson, H, Li, J. | | Deposit date: | 2007-09-03 | | Release date: | 2008-03-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural insight into the mechanism of substrate specificity of aedes kynurenine aminotransferase.
Biochemistry, 47, 2008
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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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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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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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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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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
 | | 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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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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1YRJ
 | | Crystal Structure of Apramycin bound to a Ribosomal RNA A site oligonucleotide | | Descriptor: | APRAMYCIN, Bacterial 16 S Ribosomal RNA A Site Oligonucleotide, MAGNESIUM ION, ... | | Authors: | Han, Q, Zhao, Q, Fish, S, Simonsen, K.B, Vourloumis, D, Froelich, J.M, Wall, D, Hermann, T. | | Deposit date: | 2005-02-03 | | Release date: | 2005-06-07 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular recognition by glycoside pseudo base pairs and triples in an apramycin-RNA complex.
Angew.Chem.Int.Ed.Engl., 44, 2005
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4HU8
 | | Crystal Structure of a Bacterial Ig-like Domain Containing GH10 Xylanase from Termite Gut | | Descriptor: | GH10 Xylanase, GLYCEROL, SULFATE ION | | Authors: | Han, Q, Liu, N, Robinson, H, Cao, L, Qian, C, Wang, Q, Xie, L, Ding, H, Wang, Q, Huang, Y, Li, J, Zhou, Z. | | Deposit date: | 2012-11-02 | | Release date: | 2013-09-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical characterization and crystal structure of a GH10 xylanase from termite gut bacteria reveal a novel structural feature and significance of its bacterial Ig-like domain.
Biotechnol.Bioeng., 110, 2013
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3E2Y
 | | Crystal structure of mouse kynurenine aminotransferase III in complex with glutamine | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, GLUTAMINE, GLYCEROL, ... | | Authors: | Han, Q, Robinson, R, Cai, T, Tagle, D.A, Li, J. | | Deposit date: | 2008-08-06 | | Release date: | 2008-12-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Correction for Han et al., "Biochemical and Structural Properties of Mouse Kynurenine Aminotransferase III".
Mol. Cell. Biol., 38, 2018
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3E2Z
 | | Crystal structure of mouse kynurenine aminotransferase III in complex with kynurenine | | Descriptor: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, GLYCEROL, ... | | Authors: | Han, Q, Robinson, R, Cai, T, Tagle, D.A, Li, J. | | Deposit date: | 2008-08-06 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Correction for Han et al., "Biochemical and Structural Properties of Mouse Kynurenine Aminotransferase III".
Mol. Cell. Biol., 38, 2018
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3E2F
 | | Crystal structure of mouse kynurenine aminotransferase III, PLP-bound form | | Descriptor: | GLYCEROL, Kynurenine-oxoglutarate transaminase 3 | | Authors: | Han, Q, Robinson, R, Cai, T, Tagle, D.A, Li, J. | | Deposit date: | 2008-08-05 | | Release date: | 2008-12-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Correction for Han et al., "Biochemical and Structural Properties of Mouse Kynurenine Aminotransferase III".
Mol. Cell. Biol., 38, 2018
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2QLR
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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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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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