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3U8K
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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2024-10-16
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
3TZA
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Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid at 1.9A resolution
分子名称: (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid, Glutamate receptor 2,Glutamate receptor 2, SULFATE ION
著者Frydenvang, K, Kastrup, J.S.
登録日2011-09-27
公開日2011-10-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A new phenylalanine derivative acts as an antagonist at the AMPA receptor GluA2 and introduces partial domain closure: synthesis, resolution, pharmacology, and crystal structure
J.Med.Chem., 54, 2011
3TKD
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Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and cyclothiazide at 1.45 A resolution
分子名称: CYCLOTHIAZIDE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
著者Krintel, C, Frydenvang, K, Gajhede, M, Kastrup, J.S.
登録日2011-08-26
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Thermodynamics and structural analysis of positive allosteric modulation of the ionotropic glutamate receptor GluA2.
Biochem.J., 441, 2012
3U8L
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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
3U8M
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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
3U8N
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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
5FHN
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Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 1.6 A resolution
分子名称: (S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2015-12-22
公開日2016-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues.
J.Med.Chem., 59, 2016
2FPE
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Conserved dimerization of the ib1 src-homology 3 domain
分子名称: C-jun-amino-terminal kinase interacting protein 1, HEXAETHYLENE GLYCOL, SULFATE ION, ...
著者Guenat, S, Dar, I, Bonny, C, Kastrup, J.S, Gajhede, M, Kristensen, O.
登録日2006-01-16
公開日2006-02-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A unique set of SH3-SH3 interactions controls IB1 homodimerization
Embo J., 25, 2006
5FHO
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Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-chlorobenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at 2.3 A resolution
分子名称: (1S)-1-carboxy-2-(5-{2-[(3-chlorophenyl)methyl]-2H-tetrazol-5-yl}-3-oxo-2,3-dihydro-1,2-oxazol-4-yl)ethan-1-aminium, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2015-12-22
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tweaking Subtype Selectivity and Agonist Efficacy at (S)-2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)propionic acid (AMPA) Receptors in a Small Series of BnTetAMPA Analogues.
J.Med.Chem., 59, 2016
5CC2
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STRUCTURE OF THE LIGAND-BINDING DOMAIN OF THE IONOTROPIC GLUTAMATE RECEPTOR-LIKE GLUD2 IN COMPLEX WITH 7-CKA
分子名称: 7-Chlorokynurenic acid, CHLORIDE ION, GLYCEROL, ...
著者Naur, P, Gajhede, M, Kastrup, J.S.
登録日2015-07-01
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Pharmacology and Structural Analysis of Ligand Binding to the Orthosteric Site of Glutamate-Like GluD2 Receptors.
Mol.Pharmacol., 89, 2016
5BUU
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Crystal structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM-321 at 2.07 A resolution
分子名称: (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, 1,2-ETHANEDIOL, GLUTAMIC ACID, ...
著者Larsen, A.P, Tapken, D, Frydenvang, K, Kastrup, J.S.
登録日2015-06-04
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Synthesis and Pharmacology of Mono-, Di-, and Trialkyl-Substituted 7-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides Combined with X-ray Structure Analysis to Understand the Unexpected Structure-Activity Relationship at AMPA Receptors.
Acs Chem Neurosci, 7, 2016
2PBW
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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
1AE5
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HUMAN HEPARIN BINDING PROTEIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEPARIN BINDING PROTEIN
著者Iversen, L.F, Kastrup, J.S, Bjorn, S.E, Rasmussen, P.B, Wiberg, F.C, Flodgaard, H.J, Larsen, I.K.
登録日1997-03-05
公開日1998-03-11
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of HBP, a multifunctional protein with a serine proteinase fold.
Nat.Struct.Biol., 4, 1997
5JT8
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Structural basis for the limited antibody cross reactivity between the mite allergens Blo t 1 and Der p 1
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, Blo t 1 allergen, ...
著者Meno, K, Kastrup, J.S, Gajhede, M.
登録日2016-05-09
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of the mite allergen Blo t 1 explains the limited antibody cross-reactivity to Der p 1.
Allergy, 72, 2017
5IKB
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Crystal structure of the kainate receptor GluK4 ligand binding domain in complex with kainate
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, GLYCEROL, Glutamate receptor ionotropic, ...
著者Kristensen, O, Kristensen, L.B, Frydenvang, K, Kastrup, J.S.
登録日2016-03-03
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Structure of a High-Affinity Kainate Receptor: GluK4 Ligand-Binding Domain Crystallized with Kainate.
Structure, 24, 2016
5OEW
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Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538
分子名称: 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, GLUTAMIC ACID, ...
著者Larsen, A.P, Frydenvang, K.A, Kastrup, J.S.
登録日2017-07-10
公開日2018-01-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.
J. Med. Chem., 61, 2018
1NNK
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X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-ATPA at 1.85 A resolution. Crystallization with zinc ions.
分子名称: 3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE, CHLORIDE ION, Glutamate receptor 2, ...
著者Lunn, M.-L, Hogner, A, Stensbol, T.B, Gouaux, E, Egebjerg, J, Kastrup, J.S.
登録日2003-01-14
公開日2003-03-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Three-Dimensional Structure of the Ligand-Binding Core of GluR2 in Complex with the Agonist (S)-ATPA: Implications for Receptor Subunit Selectivity.
J.Med.Chem., 46, 2003
1QPY
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CRYSTAL STRUCTURE OF BACKBONE MODIFIED PNA HEXAMER
分子名称: PEPTIDE NUCLEIC ACID 5'-(*CP1*GPN*TP1*APN*CP1*GPN*LYS)-3'
著者Haima, G, Rasmussen, H, Schmidt, G, Jensen, D.K, Kastrup, J.S, Stafshede, P.W, Norden, B, Buchardt, O, Nielsen, P.E.
登録日1999-05-14
公開日2001-02-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Peptide Nucleic Acids (PNA) derived from N-(N-methylaminoethyl)glycine. Synthesis, hybridization and structural properties
New J.Chem., 23, 1999
1QZ1
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Crystal Structure of the Ig 1-2-3 fragment of NCAM
分子名称: Neural cell adhesion molecule 1, 140 kDa isoform
著者Soroka, V, Kolkova, K, Kastrup, J.S, Diederichs, K, Breed, J, Kiselyov, V.V, Poulsen, F.M, Larsen, I.K, Welte, W, Berezin, V, Bock, E, Kasper, C.
登録日2003-09-15
公開日2003-11-04
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and interactions of NCAM Ig1-2-3 suggest a novel zipper mechanism for homophilic adhesion
Structure, 11, 2003
1NNP
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X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-ATPA at 1.9 A resolution. Crystallization without zinc ions.
分子名称: 3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE, Glutamate receptor 2, SULFATE ION
著者Lunn, M.L, Hogner, A, Stensbol, T.B, Gouaux, E, Egebjerg, J, Kastrup, J.S.
登録日2003-01-14
公開日2003-03-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Three-Dimensional Structure of the Ligand-Binding Core of GluR2 in Complex with the Agonist (S)-ATPA: Implications for Receptor Subunit Selectivity.
J.Med.Chem., 46, 2003
1XHY
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X-ray structure of the Y702F mutant of the GluR2 ligand-binding core (S1S2J) in complex with kainate at 1.85 A resolution
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor, SULFATE ION
著者Frandsen, A, Pickering, D.S, Vestergaard, B, Kasper, C, Nielsen, B.B, Greenwood, J.R, Campiani, G, Gajhede, M, Schousboe, A, Kastrup, J.S.
登録日2004-09-21
公開日2005-03-22
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005
2ANJ
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Crystal Structure of the Glur2 Ligand Binding Core (S1S2J-Y450W) Mutant in Complex With the Partial Agonist Kainic Acid at 2.1 A Resolution
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2
著者Holm, M.M, Naur, P, Vestergaard, B, Geballe, M.T, Gajhede, M, Kastrup, J.S, Traynelis, S.F, Egebjerg, J.
登録日2005-08-11
公開日2005-08-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Binding Site Tyrosine Shapes Desensitization Kinetics and Agonist Potency at GluR2: a mutagenic, kinetic, and crystallographic study
J.Biol.Chem., 280, 2005
1XJ9
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Crystal structure of a partly self-complementary peptide nucleic acid (PNA) oligomer showing a duplex-triplex network
分子名称: peptide nucleic acid, (H-P(*GPN*TPN*APN*GPN*APN*TPN*CPN*APN*CPN*TPN)-LYS-NH2)
著者Petersson, B, Nielsen, B.B, Rasmussen, H, Larsen, I.K, Gajhede, M, Nielsen, P.E, Kastrup, J.S.
登録日2004-09-23
公開日2005-02-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of a Partly Self-Complementary Peptide Nucleic Acid (PNA) Oligomer Showing a Duplex-Triplex Network
J.Am.Chem.Soc., 127, 2005
6FAZ
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Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the positive allosteric modulator TDPAM01 at 1.4 A resolution.
分子名称: 1,2-ETHANEDIOL, 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), ACETATE ION, ...
著者Nielsen, L, Laulumaa, S, Kastrup, J.S.
登録日2017-12-18
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Enhancing Action of Positive Allosteric Modulators through the Design of Dimeric Compounds.
J. Med. Chem., 61, 2018
6F29
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Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2-Amino-2-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.6A
分子名称: (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
著者Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
登録日2017-11-23
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation.
J. Med. Chem., 61, 2018

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