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3ZDG
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BU of 3zdg by Molmil
Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(dimethylamino)butyl dimethylcarbamate, ACETYLCHOLINE BINDING PROTEIN, ...
著者Ussing, C.A, Hansen, C.P, Petersen, J.G, Jensen, A.A, Rohde, L.A.H, Ahring, P.K, Nielsen, E.O, Kastrup, J.S, Gajhede, M, Frolund, B, Balle, T.
登録日2012-11-26
公開日2013-02-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists.
J.Med.Chem., 56, 2013
3ZDH
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BU of 3zdh by Molmil
Crystal structure of Ls-AChBP complexed with carbamoylcholine analogue N,N-dimethyl-4-(1-methyl-1H-imidazol-2-yloxy)butan-2-amine
分子名称: (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ...
著者Ussing, C.A, Hansen, C.P, Petersen, J.G, Jensen, A.A, Rohde, L.A.H, Ahring, P.K, Nielsen, E.O, Kastrup, J.S, Gajhede, M, Frolund, B, Balle, T.
登録日2012-11-26
公開日2013-02-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists.
J.Med.Chem., 56, 2013
3U8K
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BU of 3u8k by Molmil
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3573 (1-(5-ethoxypyridin-3-yl)-1,4-diazepane)
分子名称: 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
著者Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T.
登録日2011-10-17
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
3U8N
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BU of 3u8n by Molmil
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3950 (1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane)
分子名称: 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
著者Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T.
登録日2011-10-17
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
3U8M
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BU of 3u8m by Molmil
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3920 (1-(6-bromopyridin-3-yl)-1,4-diazepane)
分子名称: 1-(6-bromopyridin-3-yl)-1,4-diazepane, Acetylcholine-binding protein, SULFATE ION
著者Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T.
登録日2011-10-17
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
3U8J
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BU of 3u8j by Molmil
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane)
分子名称: 1-(pyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
著者Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T.
登録日2011-10-17
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
3U8L
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BU of 3u8l by Molmil
Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane)
分子名称: 1-(5-phenylpyridin-3-yl)-1,4-diazepane, Acetylcholine-binding protein, SULFATE ION
著者Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T.
登録日2011-10-17
公開日2011-12-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
3WIP
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BU of 3wip by Molmil
Crystal structure of acetylcholine bound to Ls-AChBP
分子名称: ACETATE ION, ACETYLCHOLINE, Acetylcholine-binding protein, ...
著者Olsen, J.A, Balle, T, Gajhede, M, Ahring, P.K, Kastrup, J.S.
登録日2013-09-24
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors
Plos One, 9, 2014
4E0W
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BU of 4e0w by Molmil
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with kainate
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, Glutamate receptor, ...
著者Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
登録日2012-03-05
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3501 Å)
主引用文献Kainate induces various domain closures in AMPA and kainate receptors.
Neurochem Int, 61, 2012
2PBW
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BU of 2pbw by Molmil
Crystal Structure of the Ligand-Binding Core of iGluR5 in Complex with the Partial agonist Domoic Acid at 2.5 A Resolution
分子名称: (2S,3S,4S)-2-CARBOXY-4-[(1Z,3E,5R)-5-CARBOXY-1-METHYL-1,3-HEXADIENYL]-3-PYRROLIDINEACETIC ACID, Glutamate receptor, ionotropic kainate 1
著者Hald, H, Naur, P, Gajhede, M, Kastrup, J.S.
登録日2007-03-29
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Partial agonism and antagonism of the ionotropic glutamate receptor iGLuR5: structures of the ligand-binding core in complex with domoic acid and 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propionic acid.
J.Biol.Chem., 282, 2007
1VSO
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BU of 1vso by Molmil
Crystal Structure of the Ligand-Binding Core of iGluR5 in Complex With the Antagonist (S)-ATPO at 1.85 A resolution
分子名称: (S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSPHONOMETHOXY)-4-ISOXAZOLYL)PROPIONIC ACID, GLYCEROL, Glutamate receptor, ...
著者Hald, H, Naur, P, Gajhede, M, Kastrup, J.S.
登録日2007-03-29
公開日2007-07-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Partial agonism and antagonism of the ionotropic glutamate receptor iGLuR5: structures of the ligand-binding core in complex with domoic acid and 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propionic acid.
J.Biol.Chem., 282, 2007
4UM3
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Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920
分子名称: 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ...
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
4UM1
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Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573
分子名称: 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
4E0X
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BU of 4e0x by Molmil
Crystal structure of the kainate receptor GluK1 ligand-binding domain in complex with kainate in the absence of glycerol
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, Glutamate receptor, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2012-03-05
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kainate induces various domain closures in AMPA and kainate receptors.
Neurochem Int, 61, 2012
4NZB
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BU of 4nzb by Molmil
NS9283 bound to Ls-AChBP
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile, ACETATE ION, ...
著者Olsen, J.A, Kastrup, J.S, Gajhede, M.
登録日2013-12-11
公開日2014-07-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at alpha 4 beta 2 nicotinic acetylcholine receptors.
J.Biol.Chem., 289, 2014
3H6W
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BU of 3h6w by Molmil
Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS5217 at 1.50 A resolution
分子名称: (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide, DIMETHYL SULFOXIDE, GLUTAMIC ACID, ...
著者Hald, H, Gajhede, M, Kastrup, J.S.
登録日2009-04-24
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2.
J.Mol.Biol., 391, 2009
3H6T
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Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and cyclothiazide at 2.25 A resolution
分子名称: ACETATE ION, CACODYLATE ION, CYCLOTHIAZIDE, ...
著者Hald, H, Gajhede, M, Kastrup, J.S.
登録日2009-04-24
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2.
J.Mol.Biol., 391, 2009
3H6V
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BU of 3h6v by Molmil
Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS5206 at 2.10 A resolution
分子名称: (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide, DIMETHYL SULFOXIDE, GLUTAMIC ACID, ...
著者Hald, H, Gajhede, M, Kastrup, J.S.
登録日2009-04-24
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2.
J.Mol.Biol., 391, 2009
3H6U
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Crystal structure of the iGluR2 ligand-binding core (S1S2J-N754S) in complex with glutamate and NS1493 at 1.85 A resolution
分子名称: (3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CITRATE ANION, GLUTAMIC ACID, ...
著者Hald, H, Gajhede, M, Kastrup, J.S.
登録日2009-04-24
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2.
J.Mol.Biol., 391, 2009

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