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The collaborative, 3D encyclopedia of proteins and other molecules.

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The anti-Alzheimer's drug E2020 (marketed as Aricept®) is an inhibitor that binds acetylcholinesterase (AChE) with high affinity. The X-ray structure of the E2020-AChE (AChE from Torpedo california) complex shows that E2020 has a unique orientation along the active-site gorge, extending from the anionic subsite (W84) of the active site, at the bottom, to the peripheral anionic site (near W279), at the top, via aromatic stacking interactions with conserved aromatic acid residues. E2020 does not, however, interact directly with either the catalytic triad or the 'oxyanion hole' but only indirectly via solvent molecules.

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Jaime Prilusky, Eran Hodis

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