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6U98
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BU of 6u98 by Molmil
Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 6
分子名称: 3-{[(3R)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha, POTASSIUM ION, ...
著者Cuesta, A, Wan, X, Taunton, J.
登録日2019-09-06
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90.
J.Am.Chem.Soc., 142, 2020
6U9B
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BU of 6u9b by Molmil
Hsp90a NTD covalently bound to sulfonyl fluoride 5 at K58
分子名称: 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha
著者Cuesta, A, Wan, X, Taunton, J.
登録日2019-09-07
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90.
J.Am.Chem.Soc., 142, 2020
6U99
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BU of 6u99 by Molmil
Hsp90a NTD covalently bound to sulfonyl fluoride probe 1 at K58
分子名称: 3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}propyl)amino]methyl}benzene-1-sulfinic acid, Heat shock protein HSP 90-alpha
著者Cuesta, A, Wan, X, Taunton, J.
登録日2019-09-06
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90.
J.Am.Chem.Soc., 142, 2020
6U9A
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BU of 6u9a by Molmil
Hsp90a NTD K58R bound reversibly to sulfonyl fluoride 5
分子名称: 3-{[(3S)-3-({6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}methyl)piperidin-1-yl]methyl}benzene-1-sulfonyl fluoride, Heat shock protein HSP 90-alpha
著者Cuesta, A, Wan, X, Taunton, J.
登録日2019-09-07
公開日2020-02-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Ligand Conformational Bias Drives Enantioselective Modification of a Surface-Exposed Lysine on Hsp90.
J.Am.Chem.Soc., 142, 2020
6U09
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BU of 6u09 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
分子名称: 3-{(1-oxo-1,2-dihydroisoquinolin-7-yl)[(pyridin-4-yl)methyl]sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
著者Wan, X.B, Shoichet, B.K, Taunton, J.
登録日2019-08-13
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020
8F93
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BU of 8f93 by Molmil
WDR5 covalently modified at Y228 by (R)-2-SF
分子名称: 3-ethynyl-5-{[(3R)-4-{1-[(2-methoxyphenyl)methyl]-1H-benzimidazole-5-carbonyl}-3-methylpiperazin-1-yl]methyl}benzene-1-sulfonyl fluoride, CHLORIDE ION, GLYCEROL, ...
著者Taunton, J, Craven, G.B, Chen, Y.
登録日2022-11-23
公開日2023-05-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Direct mapping of ligandable tyrosines and lysines in cells with chiral sulfonyl fluoride probes.
Nat.Chem., 15, 2023
7FIC
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BU of 7fic by Molmil
Reversible lysine-targeted probes reveal residence time-based kinase selectivity in vivo
分子名称: 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A, CHLORIDE ION
著者Craven, G.B, Wan, X.B, Taunton, J.
登録日2021-07-31
公開日2022-06-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Reversible lysine-targeted probes reveal residence time-based kinase selectivity.
Nat.Chem.Biol., 18, 2022
6U06
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BU of 6u06 by Molmil
Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking
分子名称: 3-{[(4-cyanophenyl)methyl](1-oxo-1,2-dihydroisoquinolin-7-yl)sulfamoyl}benzene-1-sulfonyl fluoride, Eukaryotic translation initiation factor 4E
著者Wan, X.B, Shoichet, B.K, Taunton, J.
登録日2019-08-13
公開日2019-10-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Lysine-Targeted eIF4E Inhibitors through Covalent Docking.
J.Am.Chem.Soc., 142, 2020

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件を2024-07-31に公開中

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