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PDB: 21 件
2W8G
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Aplysia californica AChBP bound to in silico compound 35
分子名称: (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR
著者Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J.
登録日2009-01-16
公開日2009-04-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
2W8F
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Aplysia californica AChBP bound to in silico compound 31
分子名称: (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR
著者Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J.
登録日2009-01-16
公開日2009-04-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
2Y7Y
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BU of 2y7y by Molmil
APLYSIA CALIFORNICA ACHBP IN APO STATE
分子名称: SOLUBLE ACETYLCHOLINE RECEPTOR
著者Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, De Esch, I.J.
登録日2011-02-02
公開日2011-03-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X-Ray Analysis.
J.Med.Chem., 52, 2009
7NDV
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BU of 7ndv by Molmil
X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[4-(trifluoromethyl)phenoxy]piperidine, Acetylcholine-binding protein, ...
著者Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H.
登録日2021-02-02
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor
RSC Advances, 11, 2021
7NDP
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X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one, ...
著者Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H.
登録日2021-02-02
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor.
Rsc Adv, 11, 2021
4BFQ
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BU of 4bfq by Molmil
Assembly of a triple pi-stack of ligands in the binding site of Aplysia californica acetylcholine binding protein (AChBP)
分子名称: 4,6-dimethyl-N'-(3-pyridin-2-ylisoquinolin-1-yl)pyrimidine-2-carboximidamide, GLYCEROL, SOLUBLE ACETYLCHOLINE RECEPTOR
著者Stornaiuolo, M, De Kloe, G.E, Rucktooa, P, Fish, A, van Elk, R, Edink, E.S, Bertrand, D, Smit, A.B, de Esch, I.J.P, Sixma, T.K.
登録日2013-03-21
公開日2013-05-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Assembly of a Pi-Pi Stack of Ligands in the Binding Site of an Acetylcholine Binding Protein
Nat.Commun., 4, 2013
8P1F
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X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-1-phenyl-piperidine-4-carboxylic acid, Acetylcholine-binding protein
著者Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H.
登録日2023-05-12
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
8P22
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X-ray structure of acetylcholine-binding protein (AChBP) in complex with IOTA376.
分子名称: 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine, Acetylcholine-binding protein, GLYCEROL, ...
著者Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H.
登録日2023-05-14
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
8P1E
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BU of 8p1e by Molmil
X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613.
分子名称: 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
著者Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H.
登録日2023-05-11
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
8P11
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BU of 8p11 by Molmil
X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044.
分子名称: 4-(4-chlorophenyl)piperidin-4-ol, Acetylcholine-binding protein, CHLORIDE ION, ...
著者Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H.
登録日2023-05-11
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins
To Be Published
6QGU
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BU of 6qgu by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361
分子名称: 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one, FORMIC ACID, GLYCEROL, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2019-01-13
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361
To be published
6QGP
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BU of 6qgp by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769
分子名称: 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2019-01-12
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.942 Å)
主引用文献Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769
To be published
7A2F
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BU of 7a2f by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656
分子名称: 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, FORMIC ACID, GLYCEROL, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-08-17
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656
To be published
7A28
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BU of 7a28 by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617
分子名称: 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-08-16
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617
To be published
7ABD
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BU of 7abd by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-768
分子名称: 1,2-ETHANEDIOL, 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-07
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-768
To be published
7A8Q
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BU of 7a8q by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-654
分子名称: 1,2-ETHANEDIOL, 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-08-30
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-654
To be published
7A9V
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BU of 7a9v by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-635
分子名称: 1,2-ETHANEDIOL, 1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-02
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-635
To be published
7AB9
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BU of 7ab9 by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-656
分子名称: 1,2-ETHANEDIOL, 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-07
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-656
To be published
7ABJ
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BU of 7abj by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1361
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-07
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-1361
To be published
7AAG
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BU of 7aag by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-617
分子名称: 1,2-ETHANEDIOL, 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-04
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-617
To be published
7ABE
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BU of 7abe by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-769
分子名称: 1,2-ETHANEDIOL, 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-07
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-769
To be published

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