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PDB: 134 件
8BA3
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BU of 8ba3 by Molmil
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
8B99
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BU of 8b99 by Molmil
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
8BA4
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BU of 8ba4 by Molmil
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
8B8N
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BU of 8b8n by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Cdk2 inhibitor IV
分子名称: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-04
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BA2
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BU of 8ba2 by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Z902-A1
分子名称: 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ...
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 (1.5 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B9E
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BU of 8b9e by Molmil
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
5FPF
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BU of 5fpf by Molmil
Crystal structure of human tankyrase 2 in complex with TA-91
分子名称: 4-[3-(4-oxo-3,4-dihydroquinazolin-2- yl)propanamido]-N-(quinolin-8-yl)benzamide, TANKYRASE-2, ZINC ION
著者Haikarainen, T, Lehtio, L.
登録日2015-11-30
公開日2016-12-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design, Synthesis and Evaluation of Novel Dual- Binding Inhibitors of the Tankyrases and Wnt Signalling.
To be Published
5FSU
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BU of 5fsu by Molmil
Crystal structure of Trypanosoma brucei macrodomain (crystal form 1)
分子名称: MACRODOMAIN
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 (1.95 Å)
主引用文献Proximal Adp-Ribose Hydrolysis in Trypanosomatids is Catalyzed by a Macrodomain.
Sci.Rep., 6, 2016
4W5I
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BU of 4w5i by Molmil
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
分子名称: 1-methyl-7-phenyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5(1H)-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2014-08-18
公開日2015-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
5FSZ
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BU of 5fsz by Molmil
Crystal structure of Trypanosoma cruzi macrodomain
分子名称: MACRODOMAIN
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 (2 Å)
主引用文献Proximal Adp-Ribose Hydrolysis in Trypanosomatids is Catalyzed by a Macrodomain.
Sci.Rep., 6, 2016
5FSY
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BU of 5fsy by Molmil
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
5FSV
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BU of 5fsv by Molmil
Crystal structure of Trypanosoma brucei macrodomain (crystal form 2)
分子名称: GLYCEROL, MACRODOMAIN
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 (1.2 Å)
主引用文献Proximal Adp-Ribose Hydrolysis in Trypanosomatids is Catalyzed by a Macrodomain.
Sci.Rep., 6, 2016
4UX4
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BU of 4ux4 by Molmil
Crystal structure of human tankyrase 2 in complex with 1-methyl-7-(4- methylphenyl)-5-oxo-5,6-dihydro-1,6-naphthyridin-1-ium
分子名称: (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2014-08-19
公開日2015-06-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
4UHG
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BU of 4uhg by Molmil
Crystal structure of human tankyrase 2 in complex with TA-21
分子名称: 2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-24
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI8
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BU of 4ui8 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-55
分子名称: 8-HYDROXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UFY
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BU of 4ufy by Molmil
Crystal structure of human tankyrase 2 in complex with TA-13
分子名称: 8-METHYL-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-20
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI4
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BU of 4ui4 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-29
分子名称: BENZYL N-{[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]METHYL}CARBAMATE, SULFATE ION, TANKYRASE-2, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI3
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BU of 4ui3 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-26
分子名称: 2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI6
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BU of 4ui6 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-47
分子名称: 8-METHOXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UI7
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BU of 4ui7 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-49
分子名称: 8-HYDROXY-2-(4-METHYLPHENYL)-3,4-DIHYDROQUINAZOLIN-4-ONE, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-27
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
4UFU
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BU of 4ufu by Molmil
Crystal structure of human tankyrase 2 in complex with TA-12
分子名称: 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Lehtio, L.
登録日2015-03-19
公開日2016-04-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
2VK3
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BU of 2vk3 by Molmil
Crystal structure of rat profilin 2a
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, PROFILIN-2, ...
著者Haikarainen, T, Kursula, P.
登録日2007-12-17
公開日2009-02-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure, Modifications and Ligand-Binding Properties of Rat Profilin 2A.
Acta Crystallogr.,Sect.D, 65, 2009
2WLA
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BU of 2wla by Molmil
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
2WLU
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BU of 2wlu by Molmil
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
2XGW
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BU of 2xgw by Molmil
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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