4UHG
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![BU of 4uhg by Molmil](/molmil-images/mine/4uhg) | Crystal structure of human tankyrase 2 in complex with TA-21 | Descriptor: | 2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2015-03-24 | Release date: | 2016-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 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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8BA4
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![BU of 8ba4 by Molmil](/molmil-images/mine/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
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![BU of 8ba3 by Molmil](/molmil-images/mine/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
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![BU of 8b99 by Molmil](/molmil-images/mine/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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8B8U
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8B9H
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![BU of 8b9h by Molmil](/molmil-images/mine/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
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![BU of 8b9e by Molmil](/molmil-images/mine/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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8BAB
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![BU of 8bab by Molmil](/molmil-images/mine/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
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![BU of 8ba2 by Molmil](/molmil-images/mine/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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2XJO
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![BU of 2xjo by Molmil](/molmil-images/mine/2xjo) | Crystal structure of Streptococcus suis Dpr with nickel | 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: | 2024-05-08 | 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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2XKQ
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![BU of 2xkq by Molmil](/molmil-images/mine/2xkq) | Crystal structure of Streptococcus suis Dpr with manganese | 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: | 2010-07-12 | Release date: | 2010-11-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr. J.Mol.Biol., 405, 2011
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2XJN
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![BU of 2xjn by Molmil](/molmil-images/mine/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: | 2024-05-08 | 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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5FSV
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![BU of 5fsv by Molmil](/molmil-images/mine/5fsv) | |
5FSY
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![BU of 5fsy by Molmil](/molmil-images/mine/5fsy) | Crystal structure of Trypanosoma brucei macrodomain in complex with ADP-ribose | Descriptor: | MACRODOMAIN, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2016-01-08 | Release date: | 2016-04-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Proximal Adp-Ribose Hydrolysis in Trypanosomatids is Catalyzed by a Macrodomain. Sci.Rep., 6, 2016
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5FPG
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![BU of 5fpg by Molmil](/molmil-images/mine/5fpg) | Crystal structure of human tankyrase 2 in complex with TA-92 | Descriptor: | 4-[3-(8-METHYL-4-OXO-3,4-DIHYDROQUINAZOLIN-2- YL)PROPANAMIDO]-N-(QUINOLIN-8-YL)BENZAMIDE, TANKYRASE-2, ZINC ION | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2015-11-30 | Release date: | 2016-12-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Design, Synthesis and Evaluation of Novel Dual- Binding Inhibitors of the Tankyrases and Wnt Signalling. To be Published
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5FPF
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![BU of 5fpf by Molmil](/molmil-images/mine/5fpf) | Crystal structure of human tankyrase 2 in complex with TA-91 | Descriptor: | 4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-N-(quinolin-8-yl)benzamide, TANKYRASE-2, ZINC ION | Authors: | Haikarainen, T, Lehtio, L. | Deposit date: | 2015-11-30 | Release date: | 2016-12-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, Synthesis and Evaluation of Novel Dual- Binding Inhibitors of the Tankyrases and Wnt Signalling. To be Published
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5FSU
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5FSZ
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![BU of 5fsz by Molmil](/molmil-images/mine/5fsz) | |
5FSX
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![BU of 5fsx by Molmil](/molmil-images/mine/5fsx) | |
2VK3
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![BU of 2vk3 by Molmil](/molmil-images/mine/2vk3) | Crystal structure of rat profilin 2a | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, PROFILIN-2, ... | Authors: | Haikarainen, T, Kursula, P. | Deposit date: | 2007-12-17 | Release date: | 2009-02-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure, Modifications and Ligand-Binding Properties of Rat Profilin 2A. Acta Crystallogr.,Sect.D, 65, 2009
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2WLU
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![BU of 2wlu by Molmil](/molmil-images/mine/2wlu) | Iron-bound crystal structure of Streptococcus pyogenes Dpr | Descriptor: | DPS-LIKE PEROXIDE RESISTANCE PROTEIN, FE (III) ION, GLYCEROL, ... | Authors: | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | Deposit date: | 2009-06-26 | Release date: | 2009-09-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal Structures of Streptococcus Pyogenes Dpr Reveal a Dodecameric Iron-Binding Protein with a Ferroxidase Site. J.Biol.Inorg.Chem., 15, 2010
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2WLA
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![BU of 2wla by Molmil](/molmil-images/mine/2wla) | Streptococcus pyogenes Dpr | Descriptor: | DPS-LIKE PEROXIDE RESISTANCE PROTEIN, GLYCEROL | Authors: | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | Deposit date: | 2009-06-23 | Release date: | 2009-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Streptococcus Pyogenes Dpr Reveal a Dodecameric Iron-Binding Protein with a Ferroxidase Site. J.Biol.Inorg.Chem., 15, 2010
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2XGW
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![BU of 2xgw by Molmil](/molmil-images/mine/2xgw) | ZINC-BOUND CRYSTAL STRUCTURE OF STREPTOCOCCUS PYOGENES DPR | Descriptor: | CHLORIDE ION, GLYCEROL, PEROXIDE RESISTANCE PROTEIN, ... | Authors: | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | Deposit date: | 2010-06-08 | Release date: | 2010-08-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Characterization and Biological Implications of Di-Zinc Binding in the Ferroxidase Center of Streptococcus Pyogenes Dpr. Biochem.Biophys.Res.Commun., 398, 2010
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