7Z2O
| PARP15 catalytic domain in complex with OUL215 | 分子名称: | 8-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2022-02-28 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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7Z1V
| PARP15 catalytic domain in complex with OUL208 | 分子名称: | 6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15 | 著者 | Maksimainen, M.M, Lehtio, L. | 登録日 | 2022-02-25 | 公開日 | 2023-01-25 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | [1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes. J.Med.Chem., 66, 2023
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3CC6
| Crystal structure of kinase domain of protein tyrosine kinase 2 beta (PTK2B) | 分子名称: | GLYCEROL, MAGNESIUM ION, Protein tyrosine kinase 2 beta | 著者 | Busam, R.D, Lehtio, L, Karlberg, T, Arrowsmith, C.H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC) | 登録日 | 2008-02-25 | 公開日 | 2008-03-11 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure of Protein Tyrosine Kinase 2 Beta (PTK2B) Kinase domain. To be Published
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3C5N
| Structure of human TULP1 in complex with IP3 | 分子名称: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Tubby-related protein 1 | 著者 | Busam, R.D, Lehtio, L, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC) | 登録日 | 2008-01-31 | 公開日 | 2008-04-01 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of human TULP1 in complex with IP3 To be published
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3MQI
| Human early B-cell factor 1 (EBF1) IPT/TIG domain | 分子名称: | ETHYL MERCURY ION, Transcription factor COE1, trimethylamine oxide | 著者 | Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schueler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-04-28 | 公開日 | 2010-05-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif. J.Biol.Chem., 285, 2010
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3MUJ
| Early B-cell factor 3 (EBF3) IPT/TIG and dimerization helices | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Transcription factor COE3 | 著者 | Siponen, M.I, Lehtio, L, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schueler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-05-03 | 公開日 | 2010-06-30 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif. J.Biol.Chem., 285, 2010
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2IW4
| CRYSTAL STRUCTURE OF BASILLUS SUBTILIS FAMILY II INORGANIC PYROPHOSPHATASE MUTANT, H98Q, IN COMPLEX WITH PNP | 分子名称: | FE (III) ION, GLYCEROL, IMIDODIPHOSPHORIC ACID, ... | 著者 | Fabrichniy, I.P, Lehtio, L, Oksanen, E, Goldman, A. | 登録日 | 2006-06-26 | 公開日 | 2006-11-07 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | A Trimetal Site and Substrate Distortion in a Family II Inorganic Pyrophosphatase. J.Biol.Chem., 282, 2007
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2HAW
| Crystal structure of family II Inorganic pyrophosphatase in complex with PNP | 分子名称: | CHLORIDE ION, FLUORIDE ION, GLYCEROL, ... | 著者 | Fabrichniy, I.P, Lehtio, L, Oksanen, E, Goldman, A. | 登録日 | 2006-06-13 | 公開日 | 2006-11-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A trimetal site and substrate distortion in a family II inorganic pyrophosphatase J.Biol.Chem., 282, 2007
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6TKQ
| Tankyrase 2 in complex with an inhibitor (OM-2700) | 分子名称: | Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-28 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKS
| Tankyrase 2 in complex with an inhibitor (OM-1720) | 分子名称: | Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-28 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TG4
| Tankyrase 2 in complex with an inhibitor (OM-1700) | 分子名称: | N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide, Tankyrase-2, ZINC ION | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-15 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKM
| Tankyrase 2 in complex with an inhibitor (OM-1800) | 分子名称: | Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-28 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKP
| Tankyrase 2 in complex with an inhibitor (OM-1900) | 分子名称: | Tankyrase-2, ZINC ION, ~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-28 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKN
| Tankyrase 2 in complex with an inhibitor (OM-1000) | 分子名称: | Tankyrase-2, ZINC ION, ~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-28 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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6TKR
| Tankyrase 2 in complex with an inhibitor (OM-1704) | 分子名称: | Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide | 著者 | Sowa, S.T, Lehtio, L. | 登録日 | 2019-11-28 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. J.Med.Chem., 63, 2020
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3UA9
| Crystal structure of human tankyrase 2 in complex with a selective inhibitor | 分子名称: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | 著者 | Narwal, M, Lehtio, L. | 登録日 | 2011-10-21 | 公開日 | 2012-01-25 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural basis of selective inhibition of human tankyrases. J.Med.Chem., 55, 2012
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5FSX
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5FPG
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5FPF
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5FSU
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5FSZ
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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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5FSV
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4AVW
| Crystal structure of human tankyrase 2 in complex with TIQ-A | 分子名称: | 4H-thieno[2,3-c]isoquinolin-5-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2012-05-29 | 公開日 | 2012-06-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors Acs Med.Chem.Lett., 5, 2014
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4AVU
| Crystal structure of human tankyrase 2 in complex with 6(5H)- phenanthridinone | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | 著者 | Haikarainen, T, Narwal, M, Lehtio, L. | 登録日 | 2012-05-29 | 公開日 | 2012-06-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Evaluation and Structural Basis for the Inhibition of Tankyrases by Parp Inhibitors Acs Med.Chem.Lett., 5, 2014
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