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226D
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BU of 226d by Molmil
SOLUTION CONFORMATION OF A BIZELESIN A-TRACT DUPLEX ADDUCT, NMR, 1 STRUCTURE
分子名称: BIZELESIN, DNA (5'-D(*CP*GP*TP*AP*AP*AP*AP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*TP*TP*TP*TP*AP*CP*G)-3')
著者Thompson, A.S, Hurley, L.H.
登録日1995-07-19
公開日1996-01-29
最終更新日2024-03-13
実験手法SOLUTION NMR
主引用文献Solution conformation of a bizelesin A-tract duplex adduct: DNA-DNA cross-linking of an A-tract straightens out bent DNA.
J.Mol.Biol., 252, 1995
4UVW
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BU of 4uvw by Molmil
Crystal structure of human tankyrase 2 in complex with 4,5-dimethyl-3- phenyl-1,2-dihydroisoquinolin-1-one
分子名称: 4,5-dimethyl-3-phenylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
4UVY
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BU of 4uvy by Molmil
Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methoxy-1,2- dihydroisoquinolin-1-one
分子名称: 3-(4-chlorophenyl)-5-methoxyisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
4UVP
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BU of 4uvp by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3- ethyl-1,2-dihydroisoquinolin-1-one
分子名称: 5-amino-3-ethylisoquinolin-1(2H)-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-07
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
4UVX
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BU of 4uvx by Molmil
Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-fluoro-1,2-dihydroisoquinolin-1-one
分子名称: 3-(4-chlorophenyl)-5-fluoroisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
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
4UVZ
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BU of 4uvz by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3- phenyl-1,2-dihydroisoquinolin-1-one
分子名称: 5-AMINO-3-PHENYL-1,2-DIHYDROISOQUINOLIN-1-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
4UVO
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BU of 4uvo by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- methoxyphenyl)-1,2-dihydroisoquinolin-1-one
分子名称: 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-07
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
4UVL
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BU of 4uvl by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-1,2- dihydroisoquinolin-1-one
分子名称: 5-aminoisoquinolin-1(4H)-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-07
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4UVT
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BU of 4uvt by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-4- methyl-1,2-dihydroisoquinolin-1-one
分子名称: 5-amino-4-methylisoquinolin-1(2H)-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
4UVV
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BU of 4uvv by Molmil
Crystal structure of human tankyrase 2 in complex with 3-(4- chlorophenyl)-5-methyl-1,2-dihydroisoquinolin-1-one
分子名称: 3-(4-chlorophenyl)-5-methylisoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
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
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
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
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
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
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
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
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
4UI5
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BU of 4ui5 by Molmil
Crystal structure of human tankyrase 2 in complex with TA-41
分子名称: 8-methoxy-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 (1.65 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
4UVN
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BU of 4uvn by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- chlorophenyl)-1,2-dihydroisoquinolin-1-one
分子名称: 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-07
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
4UVU
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BU of 4uvu by Molmil
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
分子名称: 5-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ...
著者Haikarainen, T, Narwal, M, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
4UVS
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BU of 4uvs by Molmil
Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one
分子名称: 5-amino-3-pentylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2014-08-08
公開日2015-07-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
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

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