9SCN

Crystal structure of Tc AChE with reactivator JDS364 Monoclinic

This is a non-PDB format compatible entry.

Summary for 9SCN

• Entry DOI: 10.2210/pdb9scn/pdb
• Descriptor: Acetylcholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-[(oxidanylamino)methyl]-6-[4-(quinolin-4-ylamino)butyl]pyridin-3-ol, ... (5 entities in total)
• Functional Keywords: complex, reactivator jds364, monoclinic, hydrolase
• Biological source: Tetronarce californica (Pacific electric ray)
• Total number of polymer chains: 4
• Total formula weight: 243540.81

Authors

de la Mora, E.,De Sousa, J.,Weik, M.,Nachon, F.,Baati, R.,Dias, J. (deposition date: 2025-08-11, release 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 (2.4 Å)