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PDB: 134 件
4BU7
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Crystal structure of human tankyrase 2 in complex with 2-(4- bromophenyl)-3,4-dihydroquinazolin-4-one
分子名称: 2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ...
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 (2.05 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BUV
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BU of 4buv by Molmil
Crystal structure of human tankyrase 2 in complex with N-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)thiophene-2-carboxamide
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]THIOPHENE-2-CARBOXAMIDE, ...
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2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors.
Chemmedchem, 8, 2013
4BR6
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BU of 4br6 by Molmil
Crystal structure of Chaetomium thermophilum MnSOD
分子名称: GLYCEROL, MANGANESE (III) ION, SODIUM ION, ...
著者Haikarainen, T, Frioux, C, Zhnag, L.-Q, Li, D.-C, Papageorgiou, A.C.
登録日2013-06-04
公開日2013-12-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure and Biochemical Characterization of a Manganese Superoxide Dismutase from Chaetomium Thermophilum.
Biochim.Biophys.Acta, 1844, 2014
5NVF
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BU of 5nvf by Molmil
Crystal structure of TNKS2 in complex with 2-[4-(pyridin-2-yl)phenyl]-3,4-dihydroquinazolin-4-one
分子名称: 2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
登録日2017-05-04
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
5NVH
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BU of 5nvh by Molmil
Crystal structure of TNKS2 in complex with 2-[4-(piperidin-1-yl)phenyl]-3,4-dihydroquinazolin-4-one
分子名称: 2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
登録日2017-05-04
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
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
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
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
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
6F5B
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BU of 6f5b by Molmil
Structure of ARTD2/PARP2 WGR domain bound to double stranded DNA with 5'phosphate
分子名称: DNA (5'-D(P*GP*CP*CP*TP*AP*TP*AP*GP*GP*C)-3'), Poly [ADP-ribose] polymerase 2
著者Obaji, E, Haikarainen, T, Lehtio, L.
登録日2017-12-01
公開日2018-10-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for DNA break recognition by ARTD2/PARP2.
Nucleic Acids Res., 46, 2018
6F5F
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BU of 6f5f by Molmil
Structure of ARTD2/PARP2 WGR domain bound to double strand DNA with 5 nucleotide overhang and 5'phosphate
分子名称: DNA (5'-D(P*CP*GP*GP*TP*CP*GP*CP*CP*TP*AP*TP*AP*GP*GP*C)-3'), Poly [ADP-ribose] polymerase 2
著者Obaji, E, Haikarainen, T, Lehtio, L.
登録日2017-12-01
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural basis for DNA break recognition by ARTD2/PARP2.
Nucleic Acids Res., 46, 2018
6F1K
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BU of 6f1k by Molmil
Structure of ARTD2/PARP2 WGR domain bound to double strand DNA without 5'phosphate
分子名称: CHLORIDE ION, DNA (5'-D(*GP*CP*CP*TP*AP*GP*CP*TP*AP*CP*GP*TP*AP*GP*CP*TP*AP*GP*GP*C)-3'), GLYCEROL, ...
著者Obaji, E, Haikarainen, T, Lehtio, L.
登録日2017-11-22
公開日2018-10-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for DNA break recognition by ARTD2/PARP2.
Nucleic Acids Res., 46, 2018
8BPW
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BU of 8bpw by Molmil
Crystal structure of JAK2 JH1 in complex with lestaurtinib
分子名称: Lestaurtinib, Tyrosine-protein kinase JAK2
著者Miao, Y, Haikarainen, T.
登録日2022-11-18
公開日2023-11-29
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.8 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
8BPV
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BU of 8bpv by Molmil
Crystal structure of JAK2 JH1 in complex with pacritinib
分子名称: 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, Tyrosine-protein kinase JAK2
著者Miao, Y, Haikarainen, T.
登録日2022-11-18
公開日2023-11-29
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.7 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
8BM2
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BU of 8bm2 by Molmil
Crystal structure of JAK2 JH1 in complex with gandotinib
分子名称: 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine, Tyrosine-protein kinase JAK2
著者Miao, Y, Haikarainen, T.
登録日2022-11-10
公開日2023-11-22
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.5 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
4L0B
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BU of 4l0b by Molmil
Tankyrase 2 in complex with 4'-dimethylamino flavone
分子名称: 2-[4-(dimethylamino)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-31
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L0V
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Tankyrase 2 in complex with 4'-chloro flavone
分子名称: 2-(4-chlorophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-01
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L2F
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BU of 4l2f by Molmil
Tankyrase 2 in complex with 6-chloro flavone
分子名称: 6-chloro-2-phenyl-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-04
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L2K
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BU of 4l2k by Molmil
Tankyrase 2 in complex with 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one
分子名称: 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-04
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L33
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Tankyrase 2 in complex with cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-05
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L0I
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Tankyrase 2 catalytic domain in complex with ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
分子名称: SULFATE ION, Tankyrase-2, ZINC ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-05-31
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013
4L0T
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Tankyrase 2 in complex with 4'-nitro flavone
分子名称: 2-(4-nitrophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ...
著者Narwal, M, Haikarainen, T, Lehtio, L.
登録日2013-06-01
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.
J.Med.Chem., 56, 2013

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