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4RCA
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BU of 4rca by Molmil
Crystal structure of human PTPdelta and human Slitrk1 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-type tyrosine-protein phosphatase delta, SLIT and NTRK-like protein 1, ...
Authors:Kim, H.M, Park, B.S, Kim, D, Lee, S.G.
Deposit date:2014-09-15
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9908 Å)
Cite:Structural basis for LAR-RPTP/Slitrk complex-mediated synaptic adhesion.
Nat Commun, 5, 2014
4RCW
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BU of 4rcw by Molmil
Crystal structure of human Slitrk1
Descriptor: SLIT and NTRK-like protein 1
Authors:Kim, H.M, Park, B.S, Kim, D, Lee, S.G.
Deposit date:2014-09-17
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1925 Å)
Cite:Structural basis for LAR-RPTP/Slitrk complex-mediated synaptic adhesion.
Nat Commun, 5, 2014
7ZPB
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BU of 7zpb by Molmil
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
7ZW3
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BU of 7zw3 by Molmil
Crystal Structure of human MAO B in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide (inhibitor 19)
Descriptor: 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Binda, C, Gottinger, A.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Acta Pharm Sin B, 13, 2023
3E0F
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BU of 3e0f by Molmil
Crystal structure of a putative metal-dependent phosphoesterase (bad_1165) from bifidobacterium adolescentis atcc 15703 at 2.40 A resolution
Descriptor: ACETATE ION, FE (III) ION, PHOSPHATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-07-31
Release date:2008-09-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a metal-dependent phosphoesterase (YP_910028.1) from Bifidobacterium adolescentis: Computational prediction and experimental validation of phosphoesterase activity.
Proteins, 79, 2011
7QBR
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BU of 7qbr by Molmil
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
7QBQ
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BU of 7qbq by Molmil
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
1G96
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BU of 1g96 by Molmil
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
7ZNX
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BU of 7znx by Molmil
Crystal structure of cocaprin 1, inhibitor of cysteine and aspartic proteases from Coprinopsis cinerea
Descriptor: Cocaprin 1
Authors:Renko, M, Turk, D, Sabotic, J.
Deposit date:2022-04-22
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cocaprins, beta-Trefoil Fold Inhibitors of Cysteine and Aspartic Proteases from Coprinopsis cinerea.
Int J Mol Sci, 23, 2022
3H6S
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BU of 3h6s by Molmil
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
3H6R
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BU of 3h6r by Molmil
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
3H6Q
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BU of 3h6q by Molmil
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
6F7Q
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BU of 6f7q by Molmil
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
8GVW
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BU of 8gvw by Molmil
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
8GVX
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BU of 8gvx by Molmil
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
5NN0
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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
5DYY
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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:2024-05-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
5DYT
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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:2024-05-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
5DYW
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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:2024-05-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Development of an in-vivo active reversible butyrylcholinesterase inhibitor.
Sci Rep, 6, 2016
3EYU
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BU of 3eyu by Molmil
PFA1 Fab fragment complexed with Ror2(518-525)
Descriptor: If kappa light chain, PFA1 Fab Heavy Chain, ROR2(518-525) peptide
Authors:Gardberg, A.S, Dealwis, C.G.
Deposit date:2008-10-21
Release date:2009-05-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structures of Abeta-related peptide--monoclonal antibody complexes.
Biochemistry, 48, 2009
6QAC
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BU of 6qac by Molmil
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
6QAD
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BU of 6qad by Molmil
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
6QAA
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BU of 6qaa by Molmil
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
6QAE
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BU of 6qae by Molmil
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
6QAB
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BU of 6qab by Molmil
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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