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3GBA
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BU of 3gba by Molmil
X-ray structure of iGluR5 ligand-binding core (S1S2) in complex with dysiherbaine at 1.35A resolution
Descriptor: (2R,3aR,6S,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6-hydroxy-7-(methylamino)hexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S.
Deposit date:2009-02-19
Release date:2009-03-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Full Domain Closure of the Ligand-binding Core of the Ionotropic Glutamate Receptor iGluR5 Induced by the High Affinity Agonist Dysiherbaine and the Functional Antagonist 8,9-Dideoxyneodysiherbaine
J.Biol.Chem., 284, 2009
3GBB
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BU of 3gbb by Molmil
X-ray structure of iGluR5 ligand-binding core (S1S2) in complex with MSVIII-19 at 2.10A resolution
Descriptor: (2R,3aR,7aR)-2-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-3,3a,5,6,7,7a-hexahydrofuro[4,5-b]pyran-2-carboxylic acid, Glutamate receptor, ionotropic kainate 1
Authors:Frydenvang, K, Naur, P, Gajhede, M, Kastrup, J.S.
Deposit date:2009-02-19
Release date:2009-03-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Full Domain Closure of the Ligand-binding Core of the Ionotropic Glutamate Receptor iGluR5 Induced by the High Affinity Agonist Dysiherbaine and the Functional Antagonist 8,9-Dideoxyneodysiherbaine
J.Biol.Chem., 284, 2009
3PD8
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BU of 3pd8 by Molmil
X-ray structure of the ligand-binding core of GluA2 in complex with (S)-7-HPCA at 2.5 A resolution
Descriptor: (7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid, ACETIC ACID, CACODYLATE ION, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2010-10-22
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.476 Å)
Cite:Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
J. Med. Chem., 53, 2010
3PD9
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BU of 3pd9 by Molmil
X-ray structure of the ligand-binding core of GluA2 in complex with (R)-5-HPCA at 2.1 A resolution
Descriptor: (5R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2010-10-22
Release date:2010-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
J. Med. Chem., 53, 2010
6YK4
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BU of 6yk4 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-6-methyl-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.00A
Descriptor: (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2020-04-05
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.999 Å)
Cite:Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
6YK3
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BU of 6yk3 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.20A
Descriptor: (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione, AMMONIUM ION, CHLORIDE ION, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2020-04-05
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
6YK2
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BU of 6yk2 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin- 2,4(1H,3H)-dione at resolution 1.60A
Descriptor: (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2020-04-05
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.612 Å)
Cite:Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
6YK5
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BU of 6yk5 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]- pyrimidine-2,4(1H,3H)-dione at resolution 1.15A
Descriptor: (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2020-04-05
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
6YK6
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BU of 6yk6 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione at resolution 1.47A
Descriptor: (S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione, CHLORIDE ION, GLYCEROL, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2020-04-05
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.469 Å)
Cite:Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
8RB6
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BU of 8rb6 by Molmil
Structure of Aldo-Keto Reductase 1C3 (AKR1C3) in complex with an inhibitor M689, with the 3-hydroxy-benzoisoxazole moiety. Resolution 2.0A
Descriptor: 1,2-ETHANEDIOL, 4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol, Aldo-keto reductase family 1 member C3, ...
Authors:Frydenvang, K, Mirza, O.A.
Deposit date:2023-12-03
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided optimization of 3-hydroxybenzoisoxazole derivatives as inhibitors of Aldo-keto reductase 1C3 (AKR1C3) to target prostate cancer.
Eur.J.Med.Chem., 268, 2024
2P2A
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BU of 2p2a by Molmil
X-ray structure of the GluR2 ligand binding core (S1S2J) in complex with 2-Bn-tet-AMPA at 2.26A resolution
Descriptor: 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID, GLUTAMIC ACID, Glutamate receptor 2, ...
Authors:Frydenvang, K, Kastrup, J.S, Gajhede, M.
Deposit date:2007-03-07
Release date:2007-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
J.Med.Chem., 50, 2007
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
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, Glutamate receptor, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2012-03-05
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kainate induces various domain closures in AMPA and kainate receptors.
Neurochem Int, 61, 2012
5FHO
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BU of 5fho by Molmil
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
Descriptor: (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, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2015-12-22
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
5FHN
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BU of 5fhn by Molmil
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
Descriptor: (S)-2-Amino-3-(5-(2-(3-methylbenzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2015-12-22
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
5M2V
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BU of 5m2v by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with (2S,4R)-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid at 3.18 A resolution
Descriptor: (2~{S},4~{R})-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Glutamate receptor ionotropic, ...
Authors:Frydenvang, K, Kastrup, J.S, Kristensen, C.M.
Deposit date:2016-10-13
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Design and Synthesis of a Series of l-trans-4-Substituted Prolines as Selective Antagonists for the Ionotropic Glutamate Receptors Including Functional and X-ray Crystallographic Studies of New Subtype Selective Kainic Acid Receptor Subtype 1 (GluK1) Antagonist (2S,4R)-4-(2-Carboxyphenoxy)pyrrolidine-2-carboxylic Acid.
J. Med. Chem., 60, 2017
5NF6
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BU of 5nf6 by Molmil
Structure of GluK3 ligand-binding domain (S1S2) in complex with CIP-AS at 2.55 A resolution
Descriptor: (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ...
Authors:Frydenvang, K, Venskutonyte, R, Thorsen, T.S, Kastrup, J.S.
Deposit date:2017-03-13
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
5NF5
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BU of 5nf5 by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with CIP-AS at 2.85 A resolution
Descriptor: (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Frydenvang, K, Venskutonyte, R, Thorsen, T.S, Kastrup, J.S.
Deposit date:2017-03-13
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
ACS Chem Neurosci, 8, 2017
3TZA
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BU of 3tza by Molmil
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
Descriptor: (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid, Glutamate receptor 2,Glutamate receptor 2, SULFATE ION
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2011-09-27
Release date:2011-10-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
5CBR
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BU of 5cbr by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (S)-2-amino-3-(3,4-dichloro-5-(5-hydroxypyridin-3-yl)phenyl)propanoic acid at 2.0A resolution
Descriptor: 3,4-dichloro-5-(5-hydroxypyridin-3-yl)-L-phenylalanine, ACETATE ION, GLYCEROL, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2015-07-01
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors.
J.Med.Chem., 59, 2016
5CBS
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BU of 5cbs by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the antagonist (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid at 1.8A resolution
Descriptor: (R)-2-amino-3-(3'-hydroxybiphenyl-3-yl)propanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Frydenvang, K, Kastrup, J.S.
Deposit date:2015-07-01
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors.
J.Med.Chem., 59, 2016
6IAO
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BU of 6iao by Molmil
Structure of Cytochrome P450 BM3 M11 mutant in complex with DTT at resolution 2.16A
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ...
Authors:Mirza, O, Rafiq, M, Frydenvang, K.
Deposit date:2018-11-27
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural analysis of Cytochrome P450 BM3 mutant M11 in complex with dithiothreitol.
Plos One, 14, 2019
8QEZ
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BU of 8qez by Molmil
Crystal structure of the AMPA receptor GluA2-L504Y-N775S ligand binding domain in complex with L-glutamate and positive allosteric modulator BPAM395 at 1.55A resolution
Descriptor: 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ...
Authors:Dorosz, J, Laulumaa, S, Frydenvang, K, Kastrup, J.S.
Deposit date:2023-09-01
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Exploring thienothiadiazine dioxides as isosteric analogues of benzo- and pyridothiadiazine dioxides in the search of new AMPA and kainate receptor positive allosteric modulators.
Eur.J.Med.Chem., 264, 2023
4U4S
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BU of 4u4s by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM25 at 1.90 A resolution.
Descriptor: 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, CHLORIDE ION, ...
Authors:Noerholm, A.B, Deva, T, Frydenvang, K, Kastrup, J.S.
Deposit date:2014-07-24
Release date:2014-11-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
4U4X
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BU of 4u4x by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM37 at 1.56 A resolution.
Descriptor: 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Noerholm, A.B, Frydenvang, K, Kastrup, J.S.
Deposit date:2014-07-24
Release date:2014-11-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Positive Allosteric Modulators of 2-Amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic Acid Receptors Belonging to 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-pyridothiadiazine Dioxides and Diversely Chloro-Substituted 4-Cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides.
J.Med.Chem., 57, 2014
8BSU
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BU of 8bsu by Molmil
Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex with kainate and the positive allosteric modulator BPAM344 at 2.9A resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2022-11-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Positive allosteric modulation of homomeric kainate receptors GluK1-3
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