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PDB: 11 件

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
6YL1
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BU of 6yl1 by Molmil
Cdk2(F80C) with Covalent Adduct TK37 at F80C
分子名称: Cyclin-dependent kinase 2, methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2020-04-06
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
6YL6
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Cdk2(F80C)
分子名称: Cyclin-dependent kinase 2
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2020-04-06
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
6YLK
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Cdk2(F80C) with Covalent Adduct TK22 at F80C
分子名称: Cyclin-dependent kinase 2, methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2020-04-07
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Multiparameter Kinetic Analysis for Covalent Fragment Optimization by Using Quantitative Irreversible Tethering (qIT).
Chembiochem, 21, 2020
5OSJ
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Cdk2(WT) with covalent adduct at C177
分子名称: Cyclin-dependent kinase 2, ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2017-08-17
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
5OO0
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BU of 5oo0 by Molmil
Cdk2(WT) covalent adduct with D28 at C177
分子名称: Cyclin-dependent kinase 2, methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2017-08-04
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
5OSM
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BU of 5osm by Molmil
Cdk2(F80C, C177A) with covalent adduct at C80
分子名称: Cyclin-dependent kinase 2, methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2017-08-17
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
5OO1
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Cdk2(F80C, C177A) covalent adduct with C37 at F80C
分子名称: Cyclin-dependent kinase 2, ~{N}-(4-pyrimidin-2-ylphenyl)propanamide
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2017-08-04
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献High-throughput kinetic analysis for target-directed covalent ligand discovery
To be published
5OO3
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Cdk2(F80C, C177A) with covalent ligand at F80C
分子名称: 1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one, Cyclin-dependent kinase 2
著者Craven, G, Morgan, R.M.L, Mann, D.J.
登録日2017-08-05
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献High-throughput kinetic analysis for target-directed covalent ligand discovery
To Be Published
5I6C
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BU of 5i6c by Molmil
The structure of the eukaryotic purine/H+ symporter, UapA, in complex with Xanthine
分子名称: DODECYL-BETA-D-MALTOSIDE, Uric acid-xanthine permease, XANTHINE
著者Alguel, Y, Amillis, S, Leung, J, Lambrinidis, G, Capaldi, S, Scull, N.J, Craven, G, Iwata, S, Armstrong, A, Mikros, E, Diallinas, G, Cameron, A.D, Byrne, B.
登録日2016-02-16
公開日2016-04-27
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structure of eukaryotic purine/H(+) symporter UapA suggests a role for homodimerization in transport activity.
Nat Commun, 7, 2016
8F93
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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

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件を2024-07-17に公開中

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