9F6R

Crystal structure of human acetylcholinesterase in complex with the uncharged hybrid reactivator quinoline-3-hydroxy-pyridinaldoxime

This is a non-PDB format compatible entry.

Summary for 9F6R

• Entry DOI: 10.2210/pdb9f6r/pdb
• Descriptor: Acetylcholinesterase, SODIUM ION, MAGNESIUM ION, ... (14 entities in total)
• Functional Keywords: acetylcholinesterase, reactivator., hydrolase
• Biological source: Myxococcaceae
• Total number of polymer chains: 2
• Total formula weight: 129593.84

Authors

Dias, J.,Nachon, F. (deposition date: 2024-05-02, release date: 2025-11-12, Last modification date: 2026-06-10)

• Primary citation: De Sousa, J.,Calas, A.G.,De La Mora, E.,Landry, C.,Hanak, A.S.,Maryan-Instone, A.,Gastellier, A.J.,Coisne, C.,Courageux, C.,Hachani, J.,Gosselet, F.,Dehouck, M.P.,Rousseau, C.,Timperley, C.M.,Weik, M.,Nachon, F.,Brown, R.C.,Baati, R.,Dias, J.; Design, synthesis and evaluation of an uncharged broad spectrum quinoline-oxime hybrid for the reactivation of nerve agent-inhibited human acetylcholinesterase; Eur.J.Med.Chem., 316:119023-, 2026; DOI: 10.1016/j.ejmech.2026.119023

Experimental method

X-RAY DIFFRACTION (2.75 Å)