5NN0
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![BU of 5nn0 by Molmil](/molmil-images/mine/5nn0) | 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
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1CEW
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4TPK
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![BU of 4tpk by Molmil](/molmil-images/mine/4tpk) | 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: | 2024-05-01 | 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
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5DYY
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![BU of 5dyy by Molmil](/molmil-images/mine/5dyy) | 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: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Development of an in-vivo active reversible butyrylcholinesterase inhibitor. Sci Rep, 6, 2016
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5DYW
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![BU of 5dyw by Molmil](/molmil-images/mine/5dyw) | 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: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Development of an in-vivo active reversible butyrylcholinesterase inhibitor. Sci Rep, 6, 2016
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5DYT
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![BU of 5dyt by Molmil](/molmil-images/mine/5dyt) | 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: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Development of an in-vivo active reversible butyrylcholinesterase inhibitor. Sci Rep, 6, 2016
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3H6S
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![BU of 3h6s by Molmil](/molmil-images/mine/3h6s) | Structure of clitocypin - cathepsin V complex | Descriptor: | Cathepsin L2, Clitocypin analog, SULFATE ION | Authors: | Renko, M, Sabotic, J, Brzin, J, Turk, D. | Deposit date: | 2009-04-23 | Release date: | 2009-10-20 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Versatile loops in mycocypins inhibit three protease families. J.Biol.Chem., 285, 2010
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7QBR
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![BU of 7qbr by Molmil](/molmil-images/mine/7qbr) | Human butyrylcholinesterase in complex with (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2021-11-19 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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7QBQ
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![BU of 7qbq by Molmil](/molmil-images/mine/7qbq) | Human butyrylcholinesterase in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | Descriptor: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2021-11-19 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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5LKR
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![BU of 5lkr by Molmil](/molmil-images/mine/5lkr) | 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
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6F7Q
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![BU of 6f7q by Molmil](/molmil-images/mine/6f7q) | Human Butyrylcholinesterase complexed with N-Propargyliperidines | Descriptor: | 1,2-ETHANEDIOL, 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, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Coquelle, N, Knez, D, Colletier, J.P, Gobec, S. | Deposit date: | 2017-12-11 | Release date: | 2018-09-05 | Last modified: | 2024-05-01 | 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
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7ZW3
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7ZPB
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![BU of 7zpb by Molmil](/molmil-images/mine/7zpb) | Structure of hemiacetylated human butyrylcholinesterase upon reaction with 8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinoline-2-carbaldehyde | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Denic, M, Chioua, M, Knez, D, Gobec, S, Nachon, F, Marco-Contelles, J.L, Brazzolotto, X. | Deposit date: | 2022-04-27 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | 8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases. Acta Pharm Sin B, 13, 2023
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3H6R
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![BU of 3h6r by Molmil](/molmil-images/mine/3h6r) | Clitocypin, a beta-trefoil cysteine protease inhibitor | Descriptor: | Clitocypin analog | Authors: | Renko, M, Sabotic, J, Brzin, J, Turk, D. | Deposit date: | 2009-04-23 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Versatile loops in mycocypins inhibit three protease families. J.Biol.Chem., 285, 2010
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3H6Q
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![BU of 3h6q by Molmil](/molmil-images/mine/3h6q) | Macrocypin, a beta-trefoil cysteine protease inhibitor | Descriptor: | Macrocypin 1a | Authors: | Renko, M, Sabotic, J, Brzin, J, Turk, D. | Deposit date: | 2009-04-23 | Release date: | 2009-10-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.643 Å) | Cite: | Versatile loops in mycocypins inhibit three protease families. J.Biol.Chem., 285, 2010
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6SAM
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![BU of 6sam by Molmil](/molmil-images/mine/6sam) | Structure of human butyrylcholinesterase in complex with 1-(2,3-dihydro-1H-inden2-yl)piperidin-3-yl N-phenyl carbamate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | Authors: | Brazzolotto, X, Kosak, U, Strasek, N, Knez, D, Gobec, S, Nachon, F. | Deposit date: | 2019-07-17 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | N-alkylpiperidine carbamates as potential anti-Alzheimer's agents. Eur.J.Med.Chem., 197, 2020
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7ZNX
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6QAC
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![BU of 6qac by Molmil](/molmil-images/mine/6qac) | Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(3-cycloheptylpropyl)-3-(1H-indol-3-yl)propanamide | Descriptor: | (2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.771 Å) | Cite: | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease. Chem.Commun.(Camb.), 55, 2019
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6QAD
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![BU of 6qad by Molmil](/molmil-images/mine/6qad) | Human Butyrylcholinesterase in complex with ((S)-2-(butylamino)-N-(2-(4-(dimethylamino)cyclohexyl)ethyl)-3-(1H-indol-3-yl)propanamide | Descriptor: | (2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease. Chem.Commun.(Camb.), 55, 2019
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6QAE
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![BU of 6qae by Molmil](/molmil-images/mine/6qae) | Human Butyrylcholinesterase in complex with (S)-N2-butyl-N1-(2-cycloheptylethyl)-3-(1H-indol-3-yl)-N1,N2-dimethylpropane-1,2-diamine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | Authors: | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.487 Å) | Cite: | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease. Chem.Commun.(Camb.), 55, 2019
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6QAA
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![BU of 6qaa by Molmil](/molmil-images/mine/6qaa) | Human Butyrylcholinesterase in complex with (S)-2-(butylamino)-N-(2-cycloheptylethyl)-3-(1H-indol-3-yl)propanamide | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease. Chem.Commun.(Camb.), 55, 2019
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6QAB
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![BU of 6qab by Molmil](/molmil-images/mine/6qab) | Human Butyrylcholinesterase in complex with (S)-N-(1-((2-cycloheptylethyl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-N,N-dimethylbutan-1-aminium | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Nachon, F, Harst, M, Knez, D, Gobec, S. | Deposit date: | 2018-12-19 | Release date: | 2019-03-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Tryptophan-derived butyrylcholinesterase inhibitors as promising leads against Alzheimer's disease. Chem.Commun.(Camb.), 55, 2019
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1G96
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![BU of 1g96 by Molmil](/molmil-images/mine/1g96) | HUMAN CYSTATIN C; DIMERIC FORM WITH 3D DOMAIN SWAPPING | Descriptor: | CHLORIDE ION, CYSTATIN C, GLYCEROL | Authors: | Janowski, R, Kozak, M, Jankowska, E, Grzonka, Z, Grubb, A, Abrahamson, M, Jaskolski, M. | Deposit date: | 2000-11-22 | Release date: | 2001-04-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human cystatin C, an amyloidogenic protein, dimerizes through three-dimensional domain swapping. Nat.Struct.Biol., 8, 2001
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8GVW
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![BU of 8gvw by Molmil](/molmil-images/mine/8gvw) | Cryo-EM structure of the human TRPC5 ion channel in lipid nanodiscs, class2 | Descriptor: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, ... | Authors: | Won, J, Jeong, H, Lee, H.H. | Deposit date: | 2022-09-16 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Molecular architecture of the G alpha i -bound TRPC5 ion channel. Nat Commun, 14, 2023
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8GVX
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![BU of 8gvx by Molmil](/molmil-images/mine/8gvx) | Cryo-EM structure of the human TRPC5 ion channel in complex with G alpha i3 subunits, class2 | Descriptor: | (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl (9Z)-octadec-9-enoate, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Won, J, Jeong, H, Lee, H.H. | Deposit date: | 2022-09-16 | Release date: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Molecular architecture of the G alpha i -bound TRPC5 ion channel. Nat Commun, 14, 2023
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