6G4M
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TORPEDO CALIFORNICA ACETYLCHOLINESTERASE BOUND TO UNCHARGED HYBRID REACTIVATOR 1
Descriptor:Acetylcholinesterase, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Santoni, G., De la Mora, E., de Souza, J., Silman, I., Sussman, J., Baati, R., Weik, M., Nachon, F.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6G4N
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TORPEDO CALIFORNICA ACETYLCHOLINESTERASE BOUND TO UNCHARGED HYBRID REACTIVATOR 2
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, ...
Authors:Santoni, G., De la Mora, E., de Souza, J., Silman, I., Sussman, J., Baati, R., Weik, M., Nachon, F.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6G4O
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NON-AGED FORM OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE INHIBITED BY TABUN ANALOG NEDPA BOUND TO UNCHARGED REACTIVATOR 1
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid, ...
Authors:Santoni, G., De la Mora, E., de Souza, J., Silman, I., Sussman, J., Baati, R., Weik, M., Nachon, F.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6G4P
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NON-AGED FORM OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE INHIBITED BY TABUN ANALOG NEDPA BOUND TO UNCHARGED REACTIVATOR 2
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid, ...
Authors:Santoni, G., De la Mora, E., de Souza, J., Silman, I., Sussman, J., Baati, R., Weik, M., Nachon, F.
Deposit date:2018-03-28
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6G1U
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CRYSTAL STRUCTURE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH 9-AMINO-6-CHLORO-1,2,3,4-TETRAHYDRO-10-METHYLACRIDIN-10-IUM
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Coquelle, N., Colletier, J.P.
Deposit date:2018-03-22
Release date:2018-04-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis.
Molecules, 23, 2018
6G1V
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CRYSTAL STRUCTURE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH 12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-5,9-DIMETHYL-7,11-METHANOCYCLOOCTA[B]QUINOLIN-5-IUM
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, 12-Amino-3-chloro-6,7,10,11-tetrahydro-5,9-dimethyl-7,11-methanocycloocta[b]quinolin-5-ium, ...
Authors:Coquelle, N., Colletier, J.P.
Deposit date:2018-03-22
Release date:2018-04-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis.
Molecules, 23, 2018
6G1W
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CRYSTAL STRUCTURE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH 2-{1-[2-(6-CHLORO-1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)ETHYL]-1H-1,2,3-TRIAZOL-4-YL}-N-[4-(HYDROXY)-3-METHOXYBENZYL]ACETAMIDE
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, 2-[1-[2-[(3-chloranylacridin-9-yl)amino]ethyl]-1,2,3-triazol-4-yl]-~{N}-[(3-methoxy-4-oxidanyl-phenyl)methyl]ethanamide, ...
Authors:Coquelle, N., Colletier, J.P.
Deposit date:2018-03-22
Release date:2018-04-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increasing Polarity in Tacrine and Huprine Derivatives: Potent Anticholinesterase Agents for the Treatment of Myasthenia Gravis.
Molecules, 23, 2018
6G17
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NON-AGED FORM OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE INHIBITED BY NERVE AGENT TABUN
Descriptor:Acetylcholinesterase, R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Santoni, G., De la Mora, E., de Souza, J., Silman, I., Sussman, J., Baati, R., Weik, M., Nachon, F.
Deposit date:2018-03-20
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6FSD
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MUS MUSCULUS ACETYLCHOLINESTERASE IN COMPLEX WITH 2-(4-BIPHENYLYLOXY)-N-[3-(1-PIPERIDINYL)PROPYL]-ACETAMIDE HYDROCHLORIDE (10)
Descriptor:Acetylcholinesterase, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
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
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Non-covalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J. Med. Chem., 2018
6FSE
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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:Acetylcholinesterase, 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone, 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
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Non-covalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J. Med. Chem., 2018
6FQN
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CARBAMYLATED T. CALIFORNICA ACETYLCHOLINETERASE BOUND TO UNCHARGED HYBRID REACTIVATOR 2
Descriptor:Acetylcholinesterase, 6-[4-[(7-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]butyl]-2-[(oxidanylamino)methyl]pyridin-3-ol, N-ACETYL-D-GLUCOSAMINE, ...
Authors:De la Mora, E., Santoni, G., de Souza, J., Sussman, J., Silman, I., Baati, R., Weik, M., Nachon, F.
Deposit date:2018-02-14
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.300027 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6FLD
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CARBAMYLATED T. CALIFORNICA ACETYLCHOLINETERASE BOUND TO UNCHARGED HYBRID REACTIVATOR 1
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol, ...
Authors:De la Mora, E., Santoni, G., de Souza, J., Sussman, J., Silman, I., Baati, R., Weik, M., Nachon, F.
Deposit date:2018-01-25
Release date:2018-08-29
Last modified:2018-09-26
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents.
J. Med. Chem., 61, 2018
6F7Q
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HUMAN BUTYRYLCHOLINESTERASE COMPLEXED WITH N-PROPARGYLIPERIDINES
Descriptor:Cholinesterase, 2-[[(3~{R})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-3-yl]methyl-(8-oxidanylquinolin-2-yl)carbonyl-amino]ethyl-dimethyl-azanium, GLYCEROL, ...
Authors:Coquelle, N., Knez, D., Colletier, J.P., Gobec, S.
Deposit date:2017-12-11
Release date:2018-09-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Multi-target-directed ligands for treating Alzheimer's disease: Butyrylcholinesterase inhibitors displaying antioxidant and neuroprotective activities.
Eur.J.Med.Chem., 156, 2018
6ESY
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HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH THIOFLAVINE T
Descriptor:Cholinesterase, N-ACETYL-D-GLUCOSAMINE, ALPHA-L-FUCOSE, ...
Authors:Nachon, F., Brazzolotto, X., Wandhammer, M., Trovaslet-Leroy, M., Macdonald, I.R., Darvesh, S., Rosenberry, T.L.
Deposit date:2017-10-24
Release date:2017-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6ESJ
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HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH PROPIDIUM
Descriptor:Cholinesterase, N-ACETYL-D-GLUCOSAMINE, 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM, ...
Authors:Nachon, F., Brazzolotto, X., Wandhammer, M., Trovaslet-Leroy, M., Macdonald, I.R., Darvesh, S., Rosenberry, T.L.
Deposit date:2017-10-20
Release date:2017-12-13
Method:X-RAY DIFFRACTION (2.979845 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6EQQ
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HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH HUPRINE 19
Descriptor:Cholinesterase, huprine 19, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Nachon, F., Brazzolotto, X., Wandhammer, M., Trovaslet-Leroy, M., Rosenberry, T.L., Macdonald, I.R., Darvesh, S.
Deposit date:2017-10-15
Release date:2017-12-13
Method:X-RAY DIFFRACTION (2.400004 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6EQP
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HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH ETHOPROPAZINE
Descriptor:Cholinesterase, R-ethopropazine, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Nachon, F., Brazzolotto, X., Wandhammer, M., Trovaslet-Leroy, M., Rosenberry, T.L., Macdonald, I.R., Darvesh, S.
Deposit date:2017-10-14
Release date:2017-12-13
Method:X-RAY DIFFRACTION (2.349417 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6EP4
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HUMAN BUTYRYLCHOLINESTERASE IN COMPLEX WITH DECAMETHONIUM
Descriptor:Cholinesterase, DECAMETHONIUM ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Nachon, F., Brazzolotto, X., Wandhammer, M., Trovaslet-Leroy, M., Rosenberry, T.L., Macdonald, I.R., Darvesh, S.
Deposit date:2017-10-10
Release date:2017-12-13
Method:X-RAY DIFFRACTION (2.300054 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6EMI
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CRYSTAL STRUCTURE OF A VARIANT OF HUMAN BUTYRYLCHOLINESTERASE EXPRESSED IN BACTERIA.
Descriptor:Cholinesterase, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Brazzolotto, X., Igert, A., Guillon, V., Santoni, G., Nachon, F.
Deposit date:2017-10-02
Release date:2017-11-08
Method:X-RAY DIFFRACTION (2.476 Å)
Cite:Bacterial Expression of Human Butyrylcholinesterase as a Tool for Nerve Agent Bioscavengers Development.
Molecules, 22, 2017
5YDH
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CRYSTAL STRUCTURE OF ACETYLCHOLINESTERASE CATALYTIC SUBUNITS OF THE MALARIA VECTOR ANOPHELES GAMBIAE, 3.2 A
Descriptor:Acetylcholinesterase, SULFATE ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Han, Q., Guan, H., Robinson, H., Ding, H., Liao, C., Li, J.
Deposit date:2017-09-13
Release date:2018-03-07
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
5YDI
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CRYSTAL STRUCTURE OF ACETYLCHOLINESTERASE CATALYTIC SUBUNITS OF THE MALARIA VECTOR ANOPHELES GAMBIAE, NEW CRYSTAL PACKING
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, GLYCEROL, ...
Authors:Han, Q., Guan, H., Ding, H., Liao, C., Robinson, H., Li, J.
Deposit date:2017-09-13
Release date:2018-03-07
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
5YDJ
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CRYSTAL STRUCTURE OF ANOPHELES GAMBIAE ACETYLCHOLINESTERASE IN COMPLEX WITH PMSF
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, SULFATE ION, ...
Authors:Han, Q., Guan, H., Ding, H., Liao, C., Robinson, H., Li, J.
Deposit date:2017-09-13
Release date:2018-03-07
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
To Be Published
5OV9
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CRYSTAL STRUCTURE OF ACETYLCHOLINESTERASE IN COMPLEX WITH CRYSTAL VIOLET
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Allgardsson, A., Andersson, C.D., Akfur, C., Worek, F., Linusson, A., Ekstrom, F.
Deposit date:2017-08-28
Release date:2017-09-06
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Unusual Dimeric Inhibitor of Acetylcholinesterase: Cooperative Binding of Crystal Violet.
Molecules, 22, 2017
6ARX
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CRYSTAL STRUCTURE OF AN INSECTICIDE-RESISTANT ACETYLCHOLINESTERASE MUTANT FROM THE MALARIA VECTOR ANOPHELES GAMBIAE IN THE LIGAND-FREE STATE
Descriptor:Acetylcholinesterase, N-ACETYL-D-GLUCOSAMINE, CITRATE ANION, ...
Authors:Cheung, J., Mahmood, A., Kalathur, R., Lixuan, L., Carlier, P.R.
Deposit date:2017-08-23
Release date:2018-01-10
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance.
Structure, 26, 2018
6ARY
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CRYSTAL STRUCTURE OF AN INSECTICIDE-RESISTANT ACETYLCHOLINESTERASE MUTANT FROM THE MALARIA VECTOR ANOPHELES GAMBIAE IN COMPLEX WITH A DIFLUOROMETHYL KETONE INHIBITOR
Descriptor:Acetylcholinesterase, (1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Cheung, J., Mahmood, A., Kalathur, R., Lixuan, L., Carlier, P.R.
Deposit date:2017-08-23
Release date:2018-01-10
Method:X-RAY DIFFRACTION (2.257 Å)
Cite:Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance.
Structure, 26, 2018
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