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1FY1
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BU of 1fy1 by Molmil
[R23S,F25E]HBP, A MUTANT OF HUMAN HEPARIN BINDING PROTEIN (CAP37)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHANOL, ...
Authors:Kastrup, J.S, Linde, V, Pedersen, A.K, Stoffer, B, Iversen, L.F, Larsen, I.K, Rasmussen, P.B, Flodgaard, H.J, Bjorn, S.E.
Deposit date:2000-09-28
Release date:2001-09-28
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two mutants of human heparin binding protein (CAP37): toward the understanding of the nature of lipid A/LPS and BPTI binding.
Proteins, 42, 2001
1FY3
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BU of 1fy3 by Molmil
[G175Q]HBP, A mutant of human heparin binding protein (CAP37)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Kastrup, J.S, Linde, V, Pedersen, A.K, Stoffer, B, Iversen, L.F, Larsen, I.K, Rasmussen, P.B, Flodgaard, H.J, Bjorn, S.E.
Deposit date:2000-09-28
Release date:2001-09-28
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Two mutants of human heparin binding protein (CAP37): toward the understanding of the nature of lipid A/LPS and BPTI binding.
Proteins, 42, 2001
1BFF
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BU of 1bff by Molmil
THE 154 AMINO ACID FORM OF HUMAN BASIC FIBROBLAST GROWTH FACTOR
Descriptor: BASIC FIBROBLAST GROWTH FACTOR, BETA-MERCAPTOETHANOL, PHOSPHATE ION
Authors:Kastrup, J.S, Eriksson, E.S.
Deposit date:1996-12-06
Release date:1997-06-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure of the 154-amino-acid form of recombinant human basic fibroblast growth factor. comparison with the truncated 146-amino-acid form.
Acta Crystallogr.,Sect.D, 53, 1997
1TN3
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BU of 1tn3 by Molmil
THE C-TYPE LECTIN CARBOHYDRATE RECOGNITION DOMAIN OF HUMAN TETRANECTIN
Descriptor: CALCIUM ION, ETHANOL, SULFATE ION, ...
Authors:Kastrup, J.S, Nielsen, B.B, Rasmussen, H, Holtet, T.L, Graversen, J.H, Etzerodt, M, Thoegersen, H.C, Larsen, I.K.
Deposit date:1997-11-06
Release date:1998-05-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the C-type lectin carbohydrate recognition domain of human tetranectin.
Acta Crystallogr.,Sect.D, 54, 1998
2AIX
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BU of 2aix by Molmil
X-ray structure of the GLUR2 ligand-binding core (S1S2J) in complex with (s)-thio-atpa at 2.2 a resolution.
Descriptor: (S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID, Glutamate receptor 2
Authors:Kastrup, J.S.
Deposit date:2005-08-01
Release date:2005-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Distinct kinetics of ionotropic glutamate receptor 2 splice variants characterized by fast agonist application and crystallization of a receptor-ligand complex.
To be Published
6FZ4
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BU of 6fz4 by Molmil
Structure of GluK1 ligand-binding domain in complex with N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)-2-hydroxybenzamide at 1.85 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ...
Authors:Kastrup, J.S, Frydenvang, K, Mollerud, S.
Deposit date:2018-03-14
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:N1-Substituted Quinoxaline-2,3-diones as Kainate Receptor Antagonists: X-ray Crystallography, Structure-Affinity Relationships, and in Vitro Pharmacology.
Acs Chem Neurosci, 10, 2019
5FHM
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BU of 5fhm by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with (S)-2-Amino-3-(5-(2-(3-(aminomethyl)benzyl)-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl)propanoic acid at resolution 1.55 A resolution
Descriptor: (2~{S})-3-[5-[2-[[3-(aminomethyl)phenyl]methyl]-1,2,3,4-tetrazol-5-yl]-3-oxidanyl-1,2-oxazol-4-yl]-2-azanyl-propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Kastrup, J.S, Frydenvang, K, Al-musaed, A.
Deposit date:2015-12-22
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 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
3BBR
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BU of 3bbr by Molmil
Crystal structure of the iGluR2 ligand binding core (S1S2J-N775S) in complex with a dimeric positive modulator as well as glutamate at 2.25 A resolution
Descriptor: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
Authors:Kastrup, J.S, Gajhede, M.
Deposit date:2007-11-11
Release date:2007-12-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural proof of a dimeric positive modulator bridging two identical AMPA receptor-binding sites
Chem.Biol., 14, 2007
1A7S
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BU of 1a7s by Molmil
ATOMIC RESOLUTION STRUCTURE OF HBP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Karlsen, S, Iversen, L.F, Larsen, I.K, Flodgaard, H.J, Kastrup, J.S.
Deposit date:1998-03-17
Release date:1999-03-23
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Atomic resolution structure of human HBP/CAP37/azurocidin.
Acta Crystallogr.,Sect.D, 54, 1998
7Z2R
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BU of 7z2r by Molmil
Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics
Descriptor: Glutamate receptor ionotropic, delta-1, SULFATE ION
Authors:Masternak, M, Laulumaa, S, Kastrup, J.S.
Deposit date:2022-02-28
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Differences between the GluD1 and GluD2 receptors revealed by GluD1 X-ray crystallography, binding studies and molecular dynamics.
Febs J., 290, 2023
1AE5
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BU of 1ae5 by Molmil
HUMAN HEPARIN BINDING PROTEIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEPARIN BINDING PROTEIN
Authors:Iversen, L.F, Kastrup, J.S, Bjorn, S.E, Rasmussen, P.B, Wiberg, F.C, Flodgaard, H.J, Larsen, I.K.
Deposit date:1997-03-05
Release date:1998-03-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of HBP, a multifunctional protein with a serine proteinase fold.
Nat.Struct.Biol., 4, 1997
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
6ZYU
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BU of 6zyu by Molmil
Structure of the GluA2 ligand-binding domain (L483Y-N754S) in complex with glutamate and BPAM549
Descriptor: (4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, (4~{S})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide, ACETATE ION, ...
Authors:Dorosz, J, Christensen, K.M, Kastrup, J.S.
Deposit date:2020-08-03
Release date:2021-08-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of Thiochroman Dioxide Analogues of Benzothiadiazine Dioxides as New Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors.
Acs Chem Neurosci, 12, 2021
5IKB
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BU of 5ikb by Molmil
Crystal structure of the kainate receptor GluK4 ligand binding domain in complex with kainate
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, GLYCEROL, Glutamate receptor ionotropic, ...
Authors:Kristensen, O, Kristensen, L.B, Frydenvang, K, Kastrup, J.S.
Deposit date:2016-03-03
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Structure of a High-Affinity Kainate Receptor: GluK4 Ligand-Binding Domain Crystallized with Kainate.
Structure, 24, 2016
4YMB
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BU of 4ymb by Molmil
Structure of the ligand-binding domain of GluK1 in complex with the antagonist CNG10111
Descriptor: (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K.
Deposit date:2015-03-06
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
J.Med.Chem., 58, 2015
4YMA
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BU of 4yma by Molmil
Structure of the ligand-binding domain of GluA2 in complex with the antagonist CNG10109
Descriptor: (3R)-3-(3-carboxy-5-hydroxyphenyl)-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K.
Deposit date:2015-03-06
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid.
J.Med.Chem., 58, 2015
6SBT
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BU of 6sbt by Molmil
Structure of GluK1 ligand-binding domain (S1S2) in complex with N-(7-(1H-imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl benzamide at 2.3 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ...
Authors:Moellerud, S, Frydenvang, K, Kastrup, J.S.
Deposit date:2019-07-22
Release date:2019-10-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:N-(7-(1H-Imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide, a New Kainate Receptor Selective Antagonist and Analgesic: Synthesis, X-ray Crystallography, Structure-Affinity Relationships, and in Vitro and in Vivo Pharmacology.
Acs Chem Neurosci, 10, 2019
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
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
2ANJ
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BU of 2anj by Molmil
Crystal Structure of the Glur2 Ligand Binding Core (S1S2J-Y450W) Mutant in Complex With the Partial Agonist Kainic Acid at 2.1 A Resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2
Authors:Holm, M.M, Naur, P, Vestergaard, B, Geballe, M.T, Gajhede, M, Kastrup, J.S, Traynelis, S.F, Egebjerg, J.
Deposit date:2005-08-11
Release date:2005-08-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Binding Site Tyrosine Shapes Desensitization Kinetics and Agonist Potency at GluR2: a mutagenic, kinetic, and crystallographic study
J.Biol.Chem., 280, 2005
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
To Be Published
8BST
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BU of 8bst by Molmil
Crystal structure of the kainate receptor GluK3-H523A ligand binding domain in complex with kainate at 2.7A resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, ACETATE ION, CHLORIDE ION, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2022-11-26
Release date:2023-12-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Small-molecule positive allosteric modulation of homomeric kainate receptors GluK1-3: development of screening assays and insight into GluK3 structure.
Febs J., 2023
4DLD
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BU of 4dld by Molmil
Crystal structure of the GluK1 ligand-binding domain (S1S2) in complex with the antagonist (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid at 2.0 A resolution
Descriptor: (S)-2-amino-3-(2-(2-carboxyethyl)-5-chloro-4-nitrophenyl)propionic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2012-02-06
Release date:2012-10-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and pharmacological characterization of phenylalanine-based AMPA receptor antagonists at kainate receptors
Chemmedchem, 7, 2012
4E0W
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BU of 4e0w by Molmil
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with kainate
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, CHLORIDE ION, Glutamate receptor, ...
Authors:Venskutonyte, R, Frydenvang, K, Kastrup, J.S.
Deposit date:2012-03-05
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3501 Å)
Cite:Kainate induces various domain closures in AMPA and kainate receptors.
Neurochem Int, 61, 2012
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

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