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PDB: 463 results

7RXY
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BU of 7rxy by Molmil
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:2024-11-13
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
7RYD
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BU of 7ryd by Molmil
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:2024-11-20
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
7RYK
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BU of 7ryk by Molmil
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:2024-11-20
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
7RZ0
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BU of 7rz0 by Molmil
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:2024-11-13
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
7RZ2
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BU of 7rz2 by Molmil
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:2024-10-30
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
7RZ1
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BU of 7rz1 by Molmil
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:2024-11-06
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
7WVK
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BU of 7wvk by Molmil
Crystal structure of human WDR5 in complex with compound 19
Descriptor: 1,2-ETHANEDIOL, 1-[2,5-bis(chloranyl)phenyl]sulfonylbenzimidazole, GLYCEROL, ...
Authors:Han, Q.L, Zhang, X.L, Wang, L, Ren, P.X, Cao, Y, Li, K, Bai, F.
Deposit date:2022-02-10
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery, evaluation and mechanism study of WDR5-targeted small molecular inhibitors for neuroblastoma.
Acta Pharmacol.Sin., 44, 2023
6CJH
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BU of 6cjh by Molmil
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
Last modified:2024-10-23
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
4Z8U
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BU of 4z8u by Molmil
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:2024-10-30
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
6CJE
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BU of 6cje by Molmil
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:2024-10-30
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
4Z8Q
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BU of 4z8q by Molmil
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:2024-10-23
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
6CJY
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BU of 6cjy by Molmil
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
Last modified:2024-11-06
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
6CK3
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BU of 6ck3 by Molmil
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
Last modified:2024-10-09
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
6CJW
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BU of 6cjw by Molmil
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
Last modified:2024-10-23
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
4HU8
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BU of 4hu8 by Molmil
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
6CJ5
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BU of 6cj5 by Molmil
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
Last modified:2024-10-23
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
6CK6
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BU of 6ck6 by Molmil
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:2024-10-09
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
6CKI
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BU of 6cki by Molmil
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
Last modified:2024-10-23
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
4Z8T
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BU of 4z8t by Molmil
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:2024-11-13
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
4Z8V
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BU of 4z8v by Molmil
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
3PD6
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BU of 3pd6 by Molmil
Crystal structure of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV
Descriptor: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, ...
Authors:Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J.
Deposit date:2010-10-22
Release date:2010-11-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biochemical and structural characterization of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV.
Biosci.Rep., 31, 2011
3PDB
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BU of 3pdb by Molmil
Crystal structure of mouse mitochondrial aspartate aminotransferase in complex with oxaloacetic acid
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase, mitochondrial, ...
Authors:Han, Q, Robinson, H, Cai, T, Tagle, D.A, Li, J.
Deposit date:2010-10-22
Release date:2010-11-10
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Biochemical and structural characterization of mouse mitochondrial aspartate aminotransferase, a newly identified kynurenine aminotransferase-IV.
Biosci.Rep., 31, 2011
1YRJ
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BU of 1yrj by Molmil
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
3BSA
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BU of 3bsa by Molmil
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
4E11
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BU of 4e11 by Molmil
Crystal structure of kynurenine formamidase from Drosophila melanogaster
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, SODIUM ION, ...
Authors:Han, Q, Robinson, H, Li, J.
Deposit date:2012-03-05
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical identification and crystal structure of kynurenine formamidase from Drosophila melanogaster.
Biochem.J., 446, 2012

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