4UVY
| Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one | Descriptor: | 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4UVX
| Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-one | Descriptor: | 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4W5I
| Crystal structure of human tankyrase 2 in complex with 1-methyl-7-phenyl-1,2,3,4,5,6-hexahydro-1,6- naphthyridin-5-one | Descriptor: | 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-18 | Release date: | 2015-06-10 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design, synthesis and evaluation in vitro of arylnaphthyridinones, arylpyridopyrimidinones and their tetrahydro derivatives as inhibitors of the tankyrases. Bioorg.Med.Chem., 23, 2015
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8BA4
| Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib | Descriptor: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-11 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8BA3
| Crystal structure of JAK2 JH2 in complex with Bemcentinib | Descriptor: | 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-11 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8B99
| Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621 | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-05 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8B9H
| Crystal structure of JAK2 JH2 in complex with Z902-A3 | Descriptor: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-06 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8B9E
| Crystal structure of JAK2 JH2-V617F in complex with Z902-A3 | Descriptor: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-05 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8BAK
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8B8U
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8BAB
| Crystal structure of JAK2 JH2-V617F in complex with CB76 | Descriptor: | 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-11 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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8B8N
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8BA2
| Crystal structure of JAK2 JH2-V617F in complex with Z902-A1 | Descriptor: | 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ... | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-10-11 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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2XJN
| Crystal structure of Streptococcus suis Dpr with copper | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | Deposit date: | 2010-07-06 | Release date: | 2010-11-24 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr. J.Mol.Biol., 405, 2011
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2XJM
| Crystal structure of Streptococcus suis Dpr with cobalt | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | Deposit date: | 2010-07-06 | Release date: | 2010-11-24 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr. J.Mol.Biol., 405, 2011
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8C08
| Crystal structure of JAK2 JH2-K539L | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Haikarainen, T. | Deposit date: | 2022-12-16 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular basis of JAK2 activation in erythropoietin receptor and pathogenic JAK2 signaling. Sci Adv, 10, 2024
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8BX6
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8BXH
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8BXC
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8BX9
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4UVV
| Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methyl-1,2-dihydroisoquinolin-1-one | Descriptor: | 3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4UVW
| Crystal structure of human tankyrase 2 in complex with 4,5-dimethyl-3- phenyl-1,2-dihydroisoquinolin-1-one | Descriptor: | 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4UVU
| Crystal structure of human tankyrase 2 in complex with 1-((4-(5- methyl-1-oxo-1,2-dihydroisoquinolin-3-yl)phenyl)methyl)pyrrolidin-1- ium | Descriptor: | 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro. Bioorg.Med.Chem., 23, 2015
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4UI5
| Crystal structure of human tankyrase 2 in complex with TA-41 | Descriptor: | 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2015-03-27 | Release date: | 2016-04-13 | Last modified: | 2016-05-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases. Eur.J.Med.Chem., 118, 2016
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8C0A
| Crystal structure of JAK2 JH2-R683S | Descriptor: | 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2 | Authors: | Haikarainen, T, Silvennoinen, O. | Deposit date: | 2022-12-16 | Release date: | 2023-12-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of JAK2 activation in erythropoietin receptor and pathogenic JAK2 signaling. Sci Adv, 10, 2024
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