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PDB: 33 results

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
5LKR
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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
6EGT
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BU of 6egt by Molmil
Structure of RVFV envelope protein Gc in postfusion conformation in complex with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2017-09-12
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A glycerophospholipid-specific pocket in the RVFV class II fusion protein drives target membrane insertion.
Science, 358, 2017
6EGU
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BU of 6egu by Molmil
Structure of RVFV envelope protein Gc in postfusion conformation in complex with 1,2-dipropionyl-sn-glycero-3-phosphocholine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, RVFV ENVELOPE PROTEIN GC, [(2R)-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] propanoate, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2017-09-12
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A glycerophospholipid-specific pocket in the RVFV class II fusion protein drives target membrane insertion.
Science, 358, 2017
6EQQ
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BU of 6eqq by Molmil
Human butyrylcholinesterase in complex with huprine 19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
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
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.40000447819 Å)
Cite:Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6F02
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BU of 6f02 by Molmil
Crystal structure of human glycosylated kallistatin at 3.0 Angstrom resolution
Descriptor: Kallistatin, SULFATE ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhou, A, Ma, L.
Deposit date:2017-11-17
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of human Kallistatin
To Be Published
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
7WBQ
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BU of 7wbq by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant spike glycoprotein in complex with its receptor human ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Qi, J, Han, P.
Deposit date:2021-12-17
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
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