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4KAI
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HCV NS5B GT1B N316 WITH GSK5852A
分子名称:HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-04-22
公開日2013-05-08
最終更新日2018-12-12
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KB7
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HCV NS5B GT1B N316Y WITH CMPD 32
分子名称:HCV Polymerase, 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-04-23
公開日2013-05-08
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KBI
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HCV NS5B GT1B N316Y WITH CMPD 4
分子名称:HCV Polymerase, 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-04-23
公開日2013-05-08
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KE5
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HCV NS5B GT1B N316Y WITH GSK5852
分子名称:HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-04-25
公開日2013-05-15
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KHM
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HCV NS5B GT1A WITH GSK5852
分子名称:HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid, SULFATE ION
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-04-30
公開日2013-05-15
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KHR
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HCV NS5B GT1A C316Y WITH GSK5852
分子名称:NS5B RNA-dependent RNA polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-05-01
公開日2013-05-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4NEU
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X-RAY STRUCTURE OF RECEPTOR INTERACTING PROTEIN 1 (RIP1)KINASE DOMAIN WITH A 1-AMINOISOQUINOLINE INHIBITOR
分子名称:Receptor-interacting serine/threonine-protein kinase 1, MAGNESIUM ION, 1-[4-(1-aminoisoquinolin-5-yl)phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
著者Nolte, R.T., Ward, P., kahler, K.M., Campobasso, N.
登録日2013-10-30
公開日2013-11-20
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis.
ACS Med Chem Lett, 4, 2013
4G31
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CRYSTAL STRUCTURE OF GSK6414 BOUND TO PERK (R587-R1092, DELETE A660-T867) AT 2.28 A RESOLUTION
分子名称:Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL, 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
著者Gampe, R.T., Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
4G34
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CRYSTAL STRUCTURE OF GSK6924 BOUND TO PERK (R587-R1092, DELETE A660-T867) AT 2.70 A RESOLUTION
分子名称:Eukaryotic translation initiation factor 2-alpha kinase 3, 1-[5-(4-aminothieno[3,2-c]pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]-2-phenylethanone
著者Gampe, R.T., Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2017-07-26
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012