8G6Z
| JAK2 crystal structure in complex with Compound 13 | 分子名称: | (3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | 著者 | Miller, S.T, Ellis, D.A. | 登録日 | 2023-02-16 | 公開日 | 2023-06-21 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility. J.Med.Chem., 66, 2023
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8G8O
| The crystal structure of JAK2 in complex with Compound 31 | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Tyrosine-protein kinase JAK2, ... | 著者 | Miller, S.T, Ellis, D.A. | 登録日 | 2023-02-18 | 公開日 | 2023-06-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility. J.Med.Chem., 66, 2023
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8G8X
| X-ray co-crystal structure of compound 27 in with complex JAK2 | 分子名称: | 3-cyclopropyl-1-{5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl}azetidin-3-ol, Tyrosine-protein kinase JAK2 | 著者 | Miller, S.T, Ellis, D.A. | 登録日 | 2023-02-20 | 公開日 | 2023-06-21 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Eyes on Topical Ocular Disposition: The Considered Design of a Lead Janus Kinase (JAK) Inhibitor That Utilizes a Unique Azetidin-3-Amino Bridging Scaffold to Attenuate Off-Target Kinase Activity, While Driving Potency and Aqueous Solubility. J.Med.Chem., 66, 2023
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3IGV
| Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor | 分子名称: | N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | 著者 | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | 登録日 | 2009-07-28 | 公開日 | 2009-12-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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3GYN
| Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydropyridinone inhibitor | 分子名称: | N-{3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | 著者 | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | 登録日 | 2009-04-04 | 公開日 | 2009-12-08 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
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3CWJ
| Crystal structure of hcv ns5b polymerase with a novel pyridazinone inhibitor | 分子名称: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,4-benzothiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | 著者 | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | 登録日 | 2008-04-21 | 公開日 | 2009-04-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase Bioorg.Med.Chem.Lett., 18, 2008
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3E51
| Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor | 分子名称: | N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-directed RNA polymerase | 著者 | Han, Q, Showalter, R.E, Zhao, Q, Kissinger, C.R. | 登録日 | 2008-08-12 | 公開日 | 2009-08-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Novel HCV NS5B polymerase inhibitors derived from 4-(1',1'-dioxo-1',4'-dihydro-1'lambda(6)-benzo[1',2',4']thiadiazin-3'-yl)-5-hydroxy-2H-pyridazin-3-ones. Part 5: Exploration of pyridazinones containing 6-amino-substituents. Bioorg.Med.Chem.Lett., 18, 2008
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