3FZM
| Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors | 分子名称: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | 著者 | Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E. | 登録日 | 2009-01-26 | 公開日 | 2009-03-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design J.Med.Chem., 52, 2009
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3FZF
| Crystal Structure of Hsc70/Bag1 in complex with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, BAG family molecular chaperone regulator 1, Heat shock cognate 71 kDa protein | 著者 | Dokurno, P, Williamson, D.S, Murray, J.B, Surgenor, A.E. | 登録日 | 2009-01-26 | 公開日 | 2009-03-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Novel adenosine-derived inhibitors of 70 kDa heat shock protein, discovered through structure-based design J.Med.Chem., 52, 2009
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7A4O
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7A55
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7A4S
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7A4W
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7A52
| Structure of DYRK1A in complex with compound 6 | 分子名称: | 3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | 著者 | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | 登録日 | 2020-08-20 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A5N
| Structure of DYRK1A in complex with compound 34 | 分子名称: | 5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | 登録日 | 2020-08-21 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7AKH
| Structure of DYRK2 in complex with compound 58 | 分子名称: | 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-10-01 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AKB
| Structure of DYRK1A in complex with compound 56 | 分子名称: | 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-30 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJY
| Structure of DYRK1A in complex with compound 51 | 分子名称: | 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-29 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJ8
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7AJ7
| Structure of DYRK1A in complex with compound 16 | 分子名称: | 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-28 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJS
| Structure of DYRK1A in complex with compound 33 | 分子名称: | 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-29 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJ5
| Structure of DYRK1A in complex with compound 10 | 分子名称: | 4-(1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-28 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJM
| Structure of DYRK1A in complex with compound 32 | 分子名称: | DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-29 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AKA
| Structure of DYRK1A in complex with compound 54 | 分子名称: | 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-30 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AK2
| Structure of DYRK1A in complex with compound 53 | 分子名称: | 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-29 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJV
| Structure of DYRK1A in complex with compound 38 | 分子名称: | 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-29 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AJA
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7AJW
| Structure of DYRK1A in complex with compound 46 | 分子名称: | 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-29 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7AKE
| Structure of DYRK1A in complex with compound 58 | 分子名称: | 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Kotschy, A. | 登録日 | 2020-09-30 | 公開日 | 2021-05-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. J.Med.Chem., 64, 2021
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7A53
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7A4R
| Structure of DYRK1A in complex with compound 1 | 分子名称: | 2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Dokurno, P, Surgenor, A.E, Hubbard, R.E. | 登録日 | 2020-08-20 | 公開日 | 2021-06-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fragment-Derived Selective Inhibitors of Dual-Specificity Kinases DYRK1A and DYRK1B. J.Med.Chem., 64, 2021
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7A4Z
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