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6FMU
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BU of 6fmu by Molmil
Thioredoxin glutathione reductase from Schistosome mansoni in complex with 2-[4-(4-amino-butyl)-piperazin-1-yl]-ethanol
分子名称: 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ...
著者Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F.
登録日2018-02-02
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry.
ACS Chem. Biol., 13, 2018
5EZS
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BU of 5ezs by Molmil
Venezuelan Equine Encephalitis Virus (VEEV) Nonstructural Protein 2 (nsP2) Cysteine Protease Inhibited by E64d
分子名称: Non-structural Protein 2 Cysteine Protease, ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate
著者Legler, P.M.
登録日2015-11-26
公開日2016-04-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Kinetic, Mutational, and Structural Studies of the Venezuelan Equine Encephalitis Virus Nonstructural Protein 2 Cysteine Protease.
Biochemistry, 55, 2016
5EZQ
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BU of 5ezq by Molmil
Venezuelan Equine Encephalitis Virus (VEEV) Nonstructural protein 2 (nsP2) Cysteine Protease
分子名称: Non-structural Protein 2 Cysteine Protease
著者Compton, J.R, Legler, P.M.
登録日2015-11-26
公開日2016-04-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Kinetic, Mutational, and Structural Studies of the Venezuelan Equine Encephalitis Virus Nonstructural Protein 2 Cysteine Protease.
Biochemistry, 55, 2016
6E4A
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BU of 6e4a by Molmil
Crystal structure of human BRD4(1) in complex with CN750
分子名称: 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL
著者Fontano, E, White, A, Lakshminarasimhan, D, Suto, R.K.
登録日2018-07-17
公開日2018-09-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Discovery and lead identification of quinazoline-based BRD4 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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