4BU7
| Crystal structure of human tankyrase 2 in complex with 2-(4- bromophenyl)-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-bromophenyl)-3,4-dihydroquinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-20 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BUV
| Crystal structure of human tankyrase 2 in complex with N-(4-(4-oxo-3, 4-dihydroquinazolin-2-yl)phenyl)thiophene-2-carboxamide | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]THIOPHENE-2-CARBOXAMIDE, ... | Authors: | Haikarainen, T, Narwal, M, Lehtio, L. | Deposit date: | 2013-06-24 | Release date: | 2013-10-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Para-Substituted 2-Phenyl-3,4-Dihydroquinazolin-4-Ones as Potent and Selective Tankyrase Inhibitors. Chemmedchem, 8, 2013
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4BR6
| Crystal structure of Chaetomium thermophilum MnSOD | Descriptor: | GLYCEROL, MANGANESE (III) ION, SODIUM ION, ... | Authors: | Haikarainen, T, Frioux, C, Zhnag, L.-Q, Li, D.-C, Papageorgiou, A.C. | Deposit date: | 2013-06-04 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure and Biochemical Characterization of a Manganese Superoxide Dismutase from Chaetomium Thermophilum. Biochim.Biophys.Acta, 1844, 2014
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5NVF
| Crystal structure of TNKS2 in complex with 2-[4-(pyridin-2-yl)phenyl]-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-05-04 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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5NVH
| Crystal structure of TNKS2 in complex with 2-[4-(piperidin-1-yl)phenyl]-3,4-dihydroquinazolin-4-one | Descriptor: | 2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-05-04 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors. Sci Rep, 8, 2018
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4UVP
| Crystal structure of human tankyrase 2 in complex with 5-amino-3- ethyl-1,2-dihydroisoquinolin-1-one | Descriptor: | 5-amino-3-ethylisoquinolin-1(2H)-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-07 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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
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4UVZ
| Crystal structure of human tankyrase 2 in complex with 5-amino-3- phenyl-1,2-dihydroisoquinolin-1-one | Descriptor: | 5-AMINO-3-PHENYL-1,2-DIHYDROISOQUINOLIN-1-ONE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | 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
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4UVO
| Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- methoxyphenyl)-1,2-dihydroisoquinolin-1-one | Descriptor: | 5-amino-3-(4-methoxyphenyl)isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-07 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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
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4UVL
| Crystal structure of human tankyrase 2 in complex with 5-amino-1,2- dihydroisoquinolin-1-one | Descriptor: | 5-aminoisoquinolin-1(4H)-one, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-07 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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4UVT
| Crystal structure of human tankyrase 2 in complex with 5-amino-4- methyl-1,2-dihydroisoquinolin-1-one | Descriptor: | 5-amino-4-methylisoquinolin-1(2H)-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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
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4UVN
| Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- chlorophenyl)-1,2-dihydroisoquinolin-1-one | Descriptor: | 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-07 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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
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4UVS
| Crystal structure of human tankyrase 2 in complex with 5-amino-3- pentyl-1,2-dihydroisoquinolin-1-one | Descriptor: | 5-amino-3-pentylisoquinolin-1(2H)-one, SULFATE ION, TANKYRASE-2, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2014-08-08 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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6F5B
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6F5F
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6F1K
| Structure of ARTD2/PARP2 WGR domain bound to double strand DNA without 5'phosphate | Descriptor: | 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, ... | Authors: | Obaji, E, Haikarainen, T, Lehtio, L. | Deposit date: | 2017-11-22 | Release date: | 2018-10-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for DNA break recognition by ARTD2/PARP2. Nucleic Acids Res., 46, 2018
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8BPW
| Crystal structure of JAK2 JH1 in complex with lestaurtinib | Descriptor: | Lestaurtinib, Tyrosine-protein kinase JAK2 | Authors: | Miao, Y, Haikarainen, T. | Deposit date: | 2022-11-18 | Release date: | 2023-11-29 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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8BPV
| Crystal structure of JAK2 JH1 in complex with pacritinib | Descriptor: | 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 | Authors: | Miao, Y, Haikarainen, T. | Deposit date: | 2022-11-18 | Release date: | 2023-11-29 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 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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8BM2
| Crystal structure of JAK2 JH1 in complex with gandotinib | Descriptor: | 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 | Authors: | Miao, Y, Haikarainen, T. | Deposit date: | 2022-11-10 | Release date: | 2023-11-22 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 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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4L0B
| Tankyrase 2 in complex with 4'-dimethylamino flavone | Descriptor: | 2-[4-(dimethylamino)phenyl]-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-05-31 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0V
| Tankyrase 2 in complex with 4'-chloro flavone | Descriptor: | 2-(4-chlorophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-01 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L2F
| Tankyrase 2 in complex with 6-chloro flavone | Descriptor: | 6-chloro-2-phenyl-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L2K
| Tankyrase 2 in complex with 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one | Descriptor: | 2-(1,3-benzodioxol-5-yl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L33
| Tankyrase 2 in complex with cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-05 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0I
| Tankyrase 2 catalytic domain in complex with ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate | Descriptor: | SULFATE ION, Tankyrase-2, ZINC ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-05-31 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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4L0T
| Tankyrase 2 in complex with 4'-nitro flavone | Descriptor: | 2-(4-nitrophenyl)-4H-chromen-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | Deposit date: | 2013-06-01 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity. J.Med.Chem., 56, 2013
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