Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
4TPK
DownloadVisualize
BU of 4tpk by Molmil
Human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-methoxyethyl)-2-naphthamide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coquelle, N, Brus, B, Colletier, J.P, Gobec, S.
Deposit date:2014-06-07
Release date:2014-10-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor.
J.Med.Chem., 57, 2014
5DYY
DownloadVisualize
BU of 5dyy by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)naphthalene-2-sulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coquelle, N, Brus, B, Colletier, J.P.
Deposit date:2015-09-25
Release date:2017-01-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
5DYT
DownloadVisualize
BU of 5dyt by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-methylnaphthalene-2-sulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coquelle, N, Brus, B, Colletier, J.P.
Deposit date:2015-09-25
Release date:2016-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
5DYW
DownloadVisualize
BU of 5dyw by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coquelle, N, Brus, B, Colletier, J.P.
Deposit date:2015-09-25
Release date:2017-01-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
5NN0
DownloadVisualize
BU of 5nn0 by Molmil
Crystal structure of huBChE with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-N-(2-(dimethylamino)ethyl)-2-naphthamide.
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coquelle, N, Brus, B, Colletier, J.P.
Deposit date:2017-04-07
Release date:2018-03-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Magic of Crystal Structure-Based Inhibitor Optimization: Development of a Butyrylcholinesterase Inhibitor with Picomolar Affinity and in Vivo Activity.
J. Med. Chem., 61, 2018
4XII
DownloadVisualize
BU of 4xii by Molmil
X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Knez, D, Boris, B, Coquelle, N, Sosic, I, Sink, R, Brazzolotto, X, Mravljak, J, Colletier, J.P, Gobec, S.
Deposit date:2015-01-07
Release date:2015-07-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents.
Bioorg.Med.Chem., 23, 2015
5LKR
DownloadVisualize
BU of 5lkr by Molmil
Human Butyrylcholinesterase complexed with N-Propargyliperidines
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ...
Authors:Coquelle, N, Knez, D, Colletier, J.P, Gobec, S.
Deposit date:2016-07-23
Release date:2016-12-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents.
Bioorg. Med. Chem., 25, 2017
6RUA
DownloadVisualize
BU of 6rua by Molmil
Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coquelle, N, Knez, D, Brus, B, Gobec, S, Colletier, J.P.
Deposit date:2019-05-27
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon