6YF8
| DYRK1A with PST001 | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide | 著者 | Rothweiler, U. | 登録日 | 2020-03-26 | 公開日 | 2021-04-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.198 Å) | 主引用文献 | DYRK1A with PST001 To Be Published
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3OHT
| Crystal Structure of Salmo Salar p38alpha | 分子名称: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION, p38a | 著者 | Rothweiler, U, Johnson, K, Engh, R.A. | 登録日 | 2010-08-18 | 公開日 | 2011-06-29 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | p38alpha MAP kinase dimers with swapped activation segments and a novel catalytic loop conformation J.Mol.Biol., 411, 2011
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4D1Z
| CDK2 in complex with a Luciferin derivate | 分子名称: | (4S)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, CYCLIN-DEPENDENT KINASE 2 | 著者 | Rothweiler, U, Engh, R.A. | 登録日 | 2014-05-05 | 公開日 | 2015-03-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.851 Å) | 主引用文献 | Luciferin and Derivatives as a Dyrk Selective Scaffold for the Design of Protein Kinase Inhibitors. Eur.J.Med.Chem., 94, 2015
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4D1X
| CDK2 in complex with Luciferin | 分子名称: | (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, CYCLIN-DEPENDENT KINASE 2 | 著者 | Rothweiler, U, Engh, R.A. | 登録日 | 2014-05-05 | 公開日 | 2015-03-18 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Luciferin and Derivatives as a Dyrk Selective Scaffold for the Design of Protein Kinase Inhibitors. Eur.J.Med.Chem., 94, 2015
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5LFZ
| T48 deacetylase | 分子名称: | ArCE4A, NICKEL (II) ION | 著者 | Rothweiler, U. | 登録日 | 2016-07-05 | 公開日 | 2017-08-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.561 Å) | 主引用文献 | Structure and function of a CE4 deacetylase isolated from a marine environment. PLoS ONE, 12, 2017
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5LGC
| T48 deacetylase with substrate | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ArCE4A | 著者 | Rothweiler, U. | 登録日 | 2016-07-06 | 公開日 | 2017-08-02 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structure and function of a CE4 deacetylase isolated from a marine environment. PLoS ONE, 12, 2017
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5LW3
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5A3X
| DYRK1A in complex with hydroxy benzothiazole fragment | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(5-oxidanyl-1,3-benzothiazol-2-yl)ethanamide | 著者 | Rothweiler, U. | 登録日 | 2015-06-03 | 公開日 | 2016-06-29 | 最終更新日 | 2019-02-06 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
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5A4L
| DYRK1A IN COMPLEX WITH FLUORO BENZOTHIAZOLE FRAGMENT | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, N-(5-FLUORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE | 著者 | Rothweiler, U. | 登録日 | 2015-06-10 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
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5A4E
| DYRK1A in complex with methoxy benzothiazole fragment | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide | 著者 | Rothweiler, U. | 登録日 | 2015-06-08 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
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5A4Q
| DYRK1A IN COMPLEX WITH CHLORO BENZOTHIAZOLE FRAGMENT | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(5-CHLORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE | 著者 | Rothweiler, U. | 登録日 | 2015-06-11 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
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5A4T
| DYRK1A IN COMPLEX WITH NITRILE BENZOTHIAZOLE FRAGMENT | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, N-(6-CYANO-3H-1,3-BENZOTHIAZOL-2-YLIDENE)ETHANAMIDE | 著者 | Rothweiler, U. | 登録日 | 2015-06-15 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
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5A54
| DYRK1A IN COMPLEX WITH NITRO BENZOTHIAZOLE FRAGMENT | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide | 著者 | Rothweiler, U. | 登録日 | 2015-06-16 | 公開日 | 2016-06-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules J.Med.Chem., 59, 2016
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6EIV
| DYRK1A in complex with JWD-065 | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide | 著者 | Rothweiler, U. | 登録日 | 2017-09-19 | 公開日 | 2018-08-29 | 最終更新日 | 2018-09-26 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
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6EIR
| DYRK1A in complex with XMD15-27-2 | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide | 著者 | Rothweiler, U. | 登録日 | 2017-09-19 | 公開日 | 2018-08-29 | 最終更新日 | 2021-07-07 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
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6EIQ
| DYRK1A in complex with XMD14-124 | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone | 著者 | Rothweiler, U. | 登録日 | 2017-09-19 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
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6EIS
| DYRK1A in complex with JWC-055 | 分子名称: | 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Rothweiler, U. | 登録日 | 2017-09-19 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
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6EIP
| DYRK1A in complex with XMD8-62e | 分子名称: | 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Rothweiler, U. | 登録日 | 2017-09-19 | 公開日 | 2018-08-29 | 最終更新日 | 2018-09-26 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
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6EJ4
| DYRK1A in complex with XMD7-112 | 分子名称: | 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Rothweiler, U. | 登録日 | 2017-09-20 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
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6EIL
| DYRK1A in complex with XMD8-49 | 分子名称: | DYRK1A, [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone | 著者 | Rothweiler, U. | 登録日 | 2017-09-19 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.465 Å) | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
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6EIF
| DYRK1A in complex with XMD7-117 | 分子名称: | 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 著者 | Rothweiler, U. | 登録日 | 2017-09-19 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
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6EIJ
| DYRK1A in complex with HG-8-60-1 | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide | 著者 | Rothweiler, U. | 登録日 | 2017-09-19 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
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7WU8
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6KML
| 2.09 Angstrom resolution crystal structure of tetrameric HigBA toxin-antitoxin complex from E.coli | 分子名称: | Antitoxin HigA, mRNA interferase toxin HigB | 著者 | Jadhav, P, Sinha, V.K, Rothweiler, U, Singh, M. | 登録日 | 2019-07-31 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.095 Å) | 主引用文献 | 2.09 angstrom Resolution structure of E. coli HigBA toxin-antitoxin complex reveals an ordered DNA-binding domain and intrinsic dynamics in antitoxin. Biochem.J., 477, 2020
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6KMQ
| 2.3 Angstrom resolution structure of dimeric HigBA toxin-antitoxin complex from E. coli | 分子名称: | Antitoxin HigA, mRNA interferase toxin HigB | 著者 | Jadhav, P, Sinha, V.K, Rothweiler, U, Singh, M. | 登録日 | 2019-07-31 | 公開日 | 2020-11-18 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | 2.09 angstrom Resolution structure of E. coli HigBA toxin-antitoxin complex reveals an ordered DNA-binding domain and intrinsic dynamics in antitoxin. Biochem.J., 477, 2020
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