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6FLD

Carbamylated T. californica acetylcholineterase bound to uncharged hybrid reactivator 1

Summary for 6FLD
Entry DOI10.2210/pdb6fld/pdb
DescriptorAcetylcholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ... (7 entities in total)
Functional Keywordsacetylcholinesterase hybrid reactivators organophosphate inhibition structure-based optimization, hydrolase
Biological sourceTetronarce californica (Pacific electric ray)
Total number of polymer chains1
Total formula weight61948.95
Authors
De la Mora, E.,Santoni, G.,de Souza, J.,Sussman, J.,Silman, I.,Baati, R.,Weik, M.,Nachon, F. (deposition date: 2018-01-25, release date: 2018-08-29, Last modification date: 2020-07-29)
Primary citationSantoni, G.,de Sousa, J.,de la Mora, E.,Dias, J.,Jean, L.,Sussman, J.L.,Silman, I.,Renard, P.Y.,Brown, R.C.D.,Weik, M.,Baati, R.,Nachon, F.
Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61:7630-7639, 2018
Cited by
PubMed: 30125110
DOI: 10.1021/acs.jmedchem.8b00592
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.4 Å)
Structure validation

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