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PDB: 158 results
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
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
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
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
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
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
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
1WVJ
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BU of 1wvj by Molmil
Exploring the GluR2 ligand-binding core in complex with the bicyclic AMPA analogue (S)-4-AHCP
Descriptor: 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE, GLYCEROL, SULFATE ION, ...
Authors:Nielsen, B.B, Pickering, D.S, Greenwood, J.R, Brehm, L, Gajhede, M, Schousboe, A, Kastrup, J.S.
Deposit date:2004-12-15
Release date:2005-04-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring the GluR2 ligand-binding core in complex with the bicyclical AMPA analogue (S)-4-AHCP
FEBS J., 272, 2005
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
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
1N0T
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BU of 1n0t by Molmil
X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with the antagonist (S)-ATPO at 2.1 A resolution.
Descriptor: (S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSPHONOMETHOXY)-4-ISOXAZOLYL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ...
Authors:Hogner, A, Greenwood, J.R, Liljefors, T, Lunn, M.-L, Egebjerg, J, Larsen, I.K, Gouaux, E, Kastrup, J.S.
Deposit date:2002-10-15
Release date:2003-03-04
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Competitive antagonism of AMPA receptors by ligands of different classes: crystal structure of ATPO bound to the GluR2 ligand-binding core, in comparison with DNQX.
J.Med.Chem., 46, 2003
1MS7
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BU of 1ms7 by Molmil
X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with (S)-Des-Me-AMPA at 1.97 A resolution, Crystallization in the presence of zinc acetate
Descriptor: (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID, Glutamate receptor subunit 2, ZINC ION
Authors:Kasper, C, Lunn, M.-L, Liljefors, T, Gouaux, E, Egebjerg, J, Kastrup, J.S.
Deposit date:2002-09-19
Release date:2003-07-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:GluR2 ligand-binding core complexes: importance of the isoxazolol moiety and 5-substituent for the binding mode of AMPA-type agonists
FEBS Lett., 531, 2002
4N07
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BU of 4n07 by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and BPAM-344 at 1.87 A resolution
Descriptor: 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, CACODYLATE ION, ...
Authors:Noerholm, A.B, Frydenvang, K, Kastrup, J.S.
Deposit date:2013-10-01
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Synthesis, pharmacological and structural characterization, and thermodynamic aspects of GluA2-positive allosteric modulators with a 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide scaffold.
J.Med.Chem., 56, 2013
2FPE
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BU of 2fpe by Molmil
Conserved dimerization of the ib1 src-homology 3 domain
Descriptor: C-jun-amino-terminal kinase interacting protein 1, HEXAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Guenat, S, Dar, I, Bonny, C, Kastrup, J.S, Gajhede, M, Kristensen, O.
Deposit date:2006-01-16
Release date:2006-02-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A unique set of SH3-SH3 interactions controls IB1 homodimerization
Embo J., 25, 2006
3C9N
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BU of 3c9n by Molmil
Crystal Structure of a SARS Corona Virus Derived Peptide Bound to the Human Major Histocompatibility Complex Class I molecule HLA-B*1501
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Roder, G.A, Kristensen, O, Kastrup, J.S, Buus, S, Gajhede, M.
Deposit date:2008-02-18
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of a SARS coronavirus-derived peptide bound to the human major histocompatibility complex class I molecule HLA-B*1501.
ACTA CRYSTALLOGR.,SECT.F, 64, 2008
1M5E
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BU of 1m5e by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH ACPA AT 1.46 A RESOLUTION
Descriptor: (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ...
Authors:Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E.
Deposit date:2002-07-09
Release date:2002-09-18
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
J.Mol.Biol., 322, 2002
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)
Descriptor: 1-(5-phenylpyridin-3-yl)-1,4-diazepane, Acetylcholine-binding protein, SULFATE ION
Authors: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.
Deposit date:2011-10-17
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite: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
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:2024-04-10
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., 291, 2024
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)
Descriptor: 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
Authors: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.
Deposit date:2011-10-17
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.47 Å)
Cite: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)
Descriptor: 1-(6-bromo-5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ...
Authors: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.
Deposit date:2011-10-17
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
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
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
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

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