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7R3C
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BU of 7r3c by Molmil
VX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-07
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.40000415 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
7QYN
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BU of 7qyn by Molmil
Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-01-28
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
7R0A
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BU of 7r0a by Molmil
Structure of sarin phosphonylated acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-01
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
7R02
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BU of 7r02 by Molmil
Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-01
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
7R4E
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BU of 7r4e by Molmil
RVX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-08
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.00001168 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
7R2F
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BU of 7r2f by Molmil
Structure of tabun inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium
Descriptor: 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F.
Deposit date:2022-02-04
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
6FSD
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BU of 6fsd by Molmil
Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10)
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ...
Authors:Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A.
Deposit date:2018-02-19
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J.Med.Chem., 61, 2018
6FSE
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BU of 6fse by Molmil
Mus musculus acetylcholinesterase in complex with 1-(4-(4-Ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)ethanone dihydrochloride (15)
Descriptor: 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone, 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ...
Authors:Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A.
Deposit date:2018-02-19
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J.Med.Chem., 61, 2018
8A53
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BU of 8a53 by Molmil
Crystal structure of AtMCA-IIf C147A (metacaspase 9) from Arabidopsis thaliana
Descriptor: Metacaspase-9, NITRATE ION
Authors:Sabljic, I, Stael, S, Stahlberg, J, Bozhkov, P.
Deposit date:2022-06-14
Release date:2023-05-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-function study of a Ca 2+ -independent metacaspase involved in lateral root emergence.
Proc.Natl.Acad.Sci.USA, 120, 2023

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PDB entries from 2024-03-27

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