8QJR
| BRG1 bromodomain in complex with VBC via compound 17 | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | 登録日 | 2023-09-13 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QJS
| VHL/Elongin B/Elongin C complex with compound 155 | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | 登録日 | 2023-09-13 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.191 Å) | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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8QJT
| BRM (SMARCA2) Bromodomain in complex with ligand 10 | 分子名称: | 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ... | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | 登録日 | 2023-09-13 | 公開日 | 2024-01-17 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.568 Å) | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem., 67, 2024
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5BXZ
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5BY1
| H18 Bat Influenza NS1 RNA Binding Domain | 分子名称: | DI(HYDROXYETHYL)ETHER, Non-structural protein 1, PENTAETHYLENE GLYCOL | 著者 | Kerry, P.S, Hale, B.G. | 登録日 | 2015-06-09 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.751 Å) | 主引用文献 | Novel Bat Influenza Virus NS1 Proteins Bind Double-Stranded RNA and Antagonize Host Innate Immunity. J.Virol., 89, 2015
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3RVC
| Effector domain of NS1 from influenza A/PR/8/34 containing a W187A mutation | 分子名称: | Non-structural protein 1 | 著者 | Kerry, P.S, Long, E, Taylor, M.A, Russell, R.J.M. | 登録日 | 2011-05-06 | 公開日 | 2011-08-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Conservation of a crystallographic interface suggests a role for beta-sheet augmentation in influenza virus NS1 multifunctionality. Acta Crystallogr.,Sect.F, 67, 2011
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7NAL
| Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (ARM and SAM domains) | 分子名称: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1 | 著者 | Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T. | 登録日 | 2021-06-21 | 公開日 | 2022-03-23 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules. Mol.Cell, 82, 2022
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4D8S
| Influenza NA in complex with antiviral compound | 分子名称: | CALCIUM ION, Neuraminidase, pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid | 著者 | Kerry, P.S, Russell, R.J.M.R. | 登録日 | 2012-01-11 | 公開日 | 2013-02-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.398 Å) | 主引用文献 | Exploring the interactions of unsaturated glucuronides with influenza virus sialidase. J.Med.Chem., 55, 2012
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7NAK
| Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (TIR:1AD) | 分子名称: | NAD(+) hydrolase SARM1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 著者 | Kerry, P.S, Nanson, J.D, Adams, S, Cunnea, K, Bosanac, T, Kobe, B, Hughes, R.O, Ve, T. | 登録日 | 2021-06-21 | 公開日 | 2022-03-23 | 最終更新日 | 2024-06-05 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules. Mol.Cell, 82, 2022
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4GB1
| Synthesis and Evaluation of Novel 3-C-alkylated-Neu5Ac2en Derivatives as Probes of Influenza Virus Sialidase 150-loop flexibility | 分子名称: | 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid, CALCIUM ION, Neuraminidase | 著者 | Kerry, P.S, Rudrawar, S, Rameix-Welti, M.-A, Maggioni, A, Dyason, J.C, Rose, F.J, van der Werf, S, Thomson, R.J, Naffakh, N, Russell, R.J.M, von Itzstein, M. | 登録日 | 2012-07-26 | 公開日 | 2012-09-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Synthesis and evaluation of novel 3-C-alkylated-Neu5Ac2en derivatives as probes of influenza virus sialidase 150-loop flexibility. Org.Biomol.Chem., 10, 2012
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4MJV
| Influenza Neuraminidase in complex with a novel antiviral compound | 分子名称: | (2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid, CALCIUM ION, Neuraminidase | 著者 | Kerry, P.S. | 登録日 | 2013-09-04 | 公開日 | 2014-01-15 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor. Angew.Chem.Int.Ed.Engl., 53, 2014
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4MJU
| Influenza Neuraminidase in complex with a novel antiviral compound | 分子名称: | (5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid, CALCIUM ION, Neuraminidase | 著者 | Kerry, P.S. | 登録日 | 2013-09-04 | 公開日 | 2014-01-15 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor. Angew.Chem.Int.Ed.Engl., 53, 2014
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4M3M
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4KS2
| Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | 分子名称: | (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | 著者 | Kerry, P.S, Russell, R.J.M. | 登録日 | 2013-05-17 | 公開日 | 2013-10-30 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.595 Å) | 主引用文献 | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors. Sci Rep, 3, 2013
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4KS4
| Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | 分子名称: | (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | 著者 | Kerry, P.S, Russell, R.J.M. | 登録日 | 2013-05-17 | 公開日 | 2013-10-30 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.495 Å) | 主引用文献 | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors. Sci Rep, 3, 2013
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4KS1
| Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | 分子名称: | (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Kerry, P.S, Russell, R.J.M. | 登録日 | 2013-05-17 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors. Sci Rep, 3, 2013
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4KS3
| Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | 分子名称: | (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | 著者 | Kerry, P.S, Russell, R.J.M. | 登録日 | 2013-05-17 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors. Sci Rep, 3, 2013
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4KS5
| Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | 分子名称: | (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase | 著者 | Kerry, P.S, Russell, R.J.M. | 登録日 | 2013-05-17 | 公開日 | 2013-10-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.699 Å) | 主引用文献 | Structural basis for a class of nanomolar influenza A neuraminidase inhibitors. Sci Rep, 3, 2013
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3OA9
| Effector domain of influenza A/Duck/Albany/76 NS1 | 分子名称: | Non-structural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-05 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3O9S
| Effector domain of influenza A/PR/8/34 NS1 | 分子名称: | Nonstructural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-04 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3O9R
| Effector domain of NS1 from influenza A/PR/8/34 containing a W187A mutation | 分子名称: | Nonstructural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-04 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3O9U
| Effector domain of influenza A/PR/8/34 NS1 | 分子名称: | Nonstructural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-04 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3O9Q
| Effector domain of NS1 from A/PR/8/34 containing a W187A mutation | 分子名称: | Nonstructural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-04 | 公開日 | 2011-05-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3O9T
| Effector domain from influenza A/PR/8/34 NS1 | 分子名称: | HEXAETHYLENE GLYCOL, Nonstructural protein 1 | 著者 | Kerry, P.S, Lewis, A, Hale, B.G, Hass, C, Taylor, M.A, Randall, R.E, Russell, R.J.M. | 登録日 | 2010-08-04 | 公開日 | 2011-05-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A Transient Homotypic Interaction Model for the Influenza A Virus NS1 Protein Effector Domain. Plos One, 6, 2011
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3L4Q
| Structural insights into phosphoinositide 3-kinase activation by the influenza A virus NS1 protein | 分子名称: | GLYCEROL, Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta | 著者 | Hale, B.G, Kerry, P.S, Jackson, D, Precious, B.L, Gray, A, Killip, M.J, Randall, R.E, Russell, R.J. | 登録日 | 2009-12-21 | 公開日 | 2010-02-02 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural insights into phosphoinositide 3-kinase activation by the influenza A virus NS1 protein Proc.Natl.Acad.Sci.USA, 107, 2010
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