2KH1
 
 | | 2-Hydroxy-7-nitrofluorene covalently linked into a 13mer DNA duplex - solution structure of the face-up orientation | | 分子名称: | 5'-D(*CP*GP*AP*CP*GP*TP*(3DR)P*TP*GP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*CP*AP*(3DR)P*AP*CP*GP*TP*CP*G)-3', 7-nitro-9H-fluoren-2-ol | | 著者 | Dallmann, A, Pfaffe, M, Muegge, C, Mahrwald, R, Kovalenko, S.A, Ernsting, N.P. | | 登録日 | 2009-03-23 | | 公開日 | 2009-12-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Local THz Time Domain Spectroscopy of Duplex DNA via Fluorescence of an Embedded Probe.
J.Phys.Chem.B, 113, 2009
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2KH0
 | | 2-Hydroxy-7-nitrofluorene covalently linked into a 13mer DNA duplex - solution structure of the face-down orientation | | 分子名称: | 5'-D(*CP*GP*AP*CP*GP*TP*(3DR)P*TP*GP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*CP*AP*(3DR)P*AP*CP*GP*TP*CP*G)-3', 7-nitro-9H-fluoren-2-ol | | 著者 | Dallmann, A, Pfaffe, M, Muegge, C, Mahrwald, R, Kovalenko, S.A, Ernsting, N.P. | | 登録日 | 2009-03-23 | | 公開日 | 2009-12-01 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Local THz Time Domain Spectroscopy of Duplex DNA via Fluorescence of an Embedded Probe
J.Phys.Chem.B, 113, 2009
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8TX0
 | | IRAK4 in complex with compound | | 分子名称: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, SODIUM ION, ... | | 著者 | Metrick, C.M, Chodaparambil, J.V. | | 登録日 | 2023-08-21 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of BIO-8169─A Highly Potent, Selective, and Brain-Penetrant IRAK4 Inhibitor for the Treatment of Neuroinflammation.
J.Med.Chem., 67, 2024
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8UCB
 | | IRAK4 in complex with compound 8 | | 分子名称: | 6-(difluoromethyl)-N-[(4R)-7-ethoxy-2-{[(3R)-oxolan-3-yl]methyl}imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Metrick, C.M, Chodaparambil, J.V. | | 登録日 | 2023-09-26 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke.
J.Med.Chem., 67, 2024
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8UCC
 | | IRAK4 in complex with compound 20 | | 分子名称: | (4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide, Interleukin-1 receptor-associated kinase 4 | | 著者 | Metrick, C.M, Chodaparambil, J.V. | | 登録日 | 2023-09-26 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke.
J.Med.Chem., 67, 2024
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8TVN
 | | IRAK4 in complex with compound 23 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | | 著者 | Metrick, C.M, Chodaparambil, J.V. | | 登録日 | 2023-08-18 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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8TVM
 | | IRAK4 in complex with compound 24 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2R)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide | | 著者 | Metrick, C.M, Chodaparambil, J.V. | | 登録日 | 2023-08-18 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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