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 | 分子名称: | 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 | 著者 | Haikarainen, T, Lehtio, L. | 登録日 | 2016-01-08 | 公開日 | 2016-04-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Proximal Adp-Ribose Hydrolysis in Trypanosomatids is Catalyzed by a Macrodomain. Sci.Rep., 6, 2016
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5FPG
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5FPF
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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 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | 登録日 | 2010-07-12 | 公開日 | 2010-11-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr. J.Mol.Biol., 405, 2011
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5FSX
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5FSV
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2XJM
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![BU of 2xjm by Molmil](/molmil-images/mine/2xjm) | Crystal structure of Streptococcus suis Dpr with cobalt | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | 登録日 | 2010-07-06 | 公開日 | 2010-11-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | 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 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | 登録日 | 2010-07-06 | 公開日 | 2010-11-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr. J.Mol.Biol., 405, 2011
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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 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Haikarainen, T, Thanassoulas, A, Stavros, P, Nounesis, G, Haataja, S, Papageorgiou, A.C. | 登録日 | 2010-07-06 | 公開日 | 2010-11-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr. J.Mol.Biol., 405, 2011
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8BX6
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8BXH
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![BU of 8bxh by Molmil](/molmil-images/mine/8bxh) | Crystal structure of JAK2 JH1 in complex with momelotinib | 分子名称: | MALONATE ION, Momelotinib, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T. | 登録日 | 2022-12-08 | 公開日 | 2023-12-20 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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8BXC
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![BU of 8bxc by Molmil](/molmil-images/mine/8bxc) | Crystal structure of JAK2 JH1 in complex with itacitinib | 分子名称: | Itacitinib, MALONATE ION, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T. | 登録日 | 2022-12-08 | 公開日 | 2023-12-20 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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8BX9
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![BU of 8bx9 by Molmil](/molmil-images/mine/8bx9) | Crystal structure of JAK2 JH1 in complex with ilginatinib | 分子名称: | DIMETHYL SULFOXIDE, Ilginatinib, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T. | 登録日 | 2022-12-08 | 公開日 | 2023-12-20 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity. J.Med.Chem., 67, 2024
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4BUS
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![BU of 4bus by Molmil](/molmil-images/mine/4bus) | Crystal structure of human tankyrase 2 in complex with 2-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenoxy)acetic acid | 分子名称: | 2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid, GLYCEROL, SULFATE ION, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2013-06-24 | 公開日 | 2013-10-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BUA
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![BU of 4bua by Molmil](/molmil-images/mine/4bua) | Crystal structure of human tankyrase 2 in complex with 2-(4-(methylsulfanyl)phenyl)-3,4-dihydroquinazolin-4-one | 分子名称: | 2-(4-methylsulfanylphenyl)-3H-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2013-06-20 | 公開日 | 2013-10-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BUW
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![BU of 4buw by Molmil](/molmil-images/mine/4buw) | Crystal structure of human tankyrase 2 in complex with 2-(4-(2-oxo-1, 3-oxazolidin-3-yl)phenyl)-3,4-dihydroquinazolin-4-one | 分子名称: | 2-[4-(2-OXO-1,3-OXAZOLIDIN-3-YL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2013-06-24 | 公開日 | 2013-10-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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2WLA
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![BU of 2wla by Molmil](/molmil-images/mine/2wla) | Streptococcus pyogenes Dpr | 分子名称: | DPS-LIKE PEROXIDE RESISTANCE PROTEIN, GLYCEROL | 著者 | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | 登録日 | 2009-06-23 | 公開日 | 2009-09-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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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2WLU
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![BU of 2wlu by Molmil](/molmil-images/mine/2wlu) | Iron-bound crystal structure of Streptococcus pyogenes Dpr | 分子名称: | DPS-LIKE PEROXIDE RESISTANCE PROTEIN, FE (III) ION, GLYCEROL, ... | 著者 | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | 登録日 | 2009-06-26 | 公開日 | 2009-09-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | 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 | 分子名称: | CHLORIDE ION, GLYCEROL, PEROXIDE RESISTANCE PROTEIN, ... | 著者 | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | 登録日 | 2010-06-08 | 公開日 | 2010-08-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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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8BA4
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![BU of 8ba4 by Molmil](/molmil-images/mine/8ba4) | Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib | 分子名称: | 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 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-11 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 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 | 分子名称: | 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 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-11 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | 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 | 分子名称: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-05 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | 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 | 分子名称: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-06 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 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 | 分子名称: | 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2 | 著者 | Haikarainen, T, Silvennoinen, O. | 登録日 | 2022-10-05 | 公開日 | 2023-02-01 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain. Pharmaceuticals, 16, 2023
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