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PDB: 27 results

4ARA
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BU of 4ara by Molmil
Mus musculus Acetylcholinesterase in complex with (R)-C5685 at 2.5 A resolution.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ...
Authors:Berg, L, Niemiec, M.S, Qian, W, Andersson, C.D, WittungStafshede, P, Ekstrom, F, Linusson, A.
Deposit date:2012-04-23
Release date:2012-11-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Similar But Different: Thermodynamic and Structural Characterization of a Pair of Enantiomers Binding to Acetylcholinesterase.
Angew.Chem.Int.Ed.Engl., 51, 2012
4A23
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BU of 4a23 by Molmil
Mus musculus Acetylcholinesterase in complex with racemic C5685
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 4-(DIMETHYLAMINO)-N-{[(2R)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, 4-(DIMETHYLAMINO)-N-{[(2S)-1-ETHYLPYRROLIDIN-2-YL]METHYL}-2-METHOXY-5-NITROBENZAMIDE, ...
Authors:Berg, L, Andersson, C.D, Artrursson, E, Hornberg, A, Tunemalm, A.K, Linusson, A, Ekstrom, F.
Deposit date:2011-09-22
Release date:2011-12-07
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling.
Plos One, 6, 2011
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