Author results

1FY1
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[R23S,F25E]HBP, A MUTANT OF HUMAN HEPARIN BINDING PROTEIN (CAP37)
Descriptor:HEPARIN-BINDING PROTEIN, N-ACETYL-D-GLUCOSAMINE, 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:2011-07-13
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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[G175Q]HBP, A MUTANT OF HUMAN HEPARIN BINDING PROTEIN (CAP37)
Descriptor:HEPARIN-BINDING PROTEIN, N-ACETYL-D-GLUCOSAMINE, 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:2018-03-07
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
1TN3
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THE C-TYPE LECTIN CARBOHYDRATE RECOGNITION DOMAIN OF HUMAN TETRANECTIN
Descriptor:TETRANECTIN, CALCIUM ION, 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:2011-07-13
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
1BFF
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THE 154 AMINO ACID FORM OF HUMAN BASIC FIBROBLAST GROWTH FACTOR
Descriptor:BASIC FIBROBLAST GROWTH FACTOR, PHOSPHATE ION, BETA-MERCAPTOETHANOL
Authors:Kastrup, J.S., Eriksson, E.S.
Deposit date:1996-12-06
Release date:1997-06-16
Last modified:2011-07-13
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
2AIX
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X-RAY STRUCTURE OF THE GLUR2 LIGAND-BINDING CORE (S1S2J) IN COMPLEX WITH (S)-THIO-ATPA AT 2.2 A RESOLUTION.
Descriptor:Glutamate receptor 2, (S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID
Authors:Kastrup, J.S.
Deposit date:2005-08-01
Release date:2005-08-09
Last modified:2017-08-02
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
5FHM
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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:Glutamate receptor 2,Glutamate receptor 2, SULFATE ION, (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, ...
Authors:Kastrup, J.S., Frydenvang, K., Al-musaed, A.
Deposit date:2015-12-22
Release date:2016-03-02
Last modified:2018-01-17
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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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:Glutamate receptor 2, SULFATE ION, CHLORIDE ION, ...
Authors:Kastrup, J.S., Gajhede, M.
Deposit date:2007-11-11
Release date:2007-12-04
Last modified:2017-08-16
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
6FZ4
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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:Glutamate receptor ionotropic, kainate 1,Glutamate receptor ionotropic, kainate 1, ...
Authors:Kastrup, J.S., Frydenvang, K., Mollerud, S.
Deposit date:2018-03-14
Release date:2019-01-23
Last modified:2019-03-27
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
1RRU
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THE INFLUENCE OF A CHIRAL AMINO ACID ON THE HELICAL HANDEDNESS OF PNA IN SOLUTION AND IN CRYSTALS
Descriptor:Peptide Nucleic Acid, (H-P(*CPN*GPN*TPN*APN*CPN*GPN)-LYS-NH2)
Authors:Rasmussen, H., Liljefors, T., Petersson, B., Nielsen, P.E., Kastrup, J.S.
Deposit date:2003-12-09
Release date:2004-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Influence of a Chiral Amino Acid on the Helical Handedness of PNA in Solution and in Crystals
J.Biomol.Struct.Dyn., 21, 2004
5ELV
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CRYSTAL STRUCTURE OF THE GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L504-N775) IN COMPLEX WITH GLUTAMATE AND BPAM-521 AT 1.92 A RESOLUTION
Descriptor:Glutamate receptor 2,Glutamate receptor 2, SULFATE ION, GLYCEROL, ...
Authors:Krintel, C., Juknaite, L., Frydenvang, K., Kastrup, J.S.
Deposit date:2015-11-05
Release date:2016-05-04
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2.
Biophys.J., 110, 2016
1A7S
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ATOMIC RESOLUTION STRUCTURE OF HBP
Descriptor:HEPARIN BINDING PROTEIN, N-ACETYL-D-GLUCOSAMINE, 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:2011-07-13
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Atomic resolution structure of human HBP/CAP37/azurocidin.
Acta Crystallogr.,Sect.D, 54, 1998
1HZS
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CRYSTAL STRUCTURE OF A PEPTIDE NUCLEIC ACID DUPLEX (BT-PNA) CONTAINING A BICYCLIC ANALOGUE OF THYMINE
Descriptor:PEPTIDE NUCLEIC ACID
Authors:Eldrup, A.B., Nielsen, B.B., Haaima, G., Rasmussen, H., Kastrup, J.S., Christensen, C., Nielsen, P.E.
Deposit date:2001-01-26
Release date:2001-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:1,8-Naphthyridin-2(1H)-ones. Novel Bicyclic and Tricyclic Analogues of Thymine in Peptide Nucleic Acids (PNAs)
Eur.J.Org.Chem., 9, 2001
1VSO
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CRYSTAL STRUCTURE OF THE LIGAND-BINDING CORE OF IGLUR5 IN COMPLEX WITH THE ANTAGONIST (S)-ATPO AT 1.85 A RESOLUTION
Descriptor:Glutamate receptor, ionotropic kainate 1, (S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSPHONOMETHOXY)-4-ISOXAZOLYL)PROPIONIC ACID, ...
Authors:Hald, H., Naur, P., Gajhede, M., Kastrup, J.S.
Deposit date:2007-03-29
Release date:2007-07-03
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
2P2A
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X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH 2-BN-TET-AMPA AT 2.26A RESOLUTION
Descriptor:Glutamate receptor 2, SULFATE ION, GLUTAMIC ACID, ...
Authors:Frydenvang, K., Kastrup, J.S., Gajhede, M.
Deposit date:2007-03-07
Release date:2007-06-19
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
J.Med.Chem., 50, 2007
4U4X
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CRYSTAL STRUCTURE OF THE GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L483Y-N754S) IN COMPLEX WITH GLUTAMATE AND BPAM37 AT 1.56 A RESOLUTION.
Descriptor:Glutamate receptor 2,Glutamate receptor 2, 4-ethyl-3,4-dihydro-2H-pyrido[3,2-e][1,2,4]thiadiazine 1,1-dioxide, SULFATE ION, ...
Authors:Noerholm, A.B., Frydenvang, K., Kastrup, J.S.
Deposit date:2014-07-24
Release date:2014-11-19
Last modified:2018-01-17
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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CRYSTAL STRUCTURE OF THE GLUA2 LIGAND-BINDING DOMAIN (S1S2J-L483Y-N754S) IN COMPLEX WITH GLUTAMATE AND BPAM25 AT 1.90 A RESOLUTION.
Descriptor:Glutamate receptor 2,Glutamate receptor 2, 4-ethyl-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide, SULFATE ION, ...
Authors:Noerholm, A.B., Deva, T., Frydenvang, K., Kastrup, J.S.
Deposit date:2014-07-24
Release date:2014-11-19
Last modified:2018-06-13
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
1AE5
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HUMAN HEPARIN BINDING PROTEIN
Descriptor:HEPARIN BINDING PROTEIN, N-ACETYL-D-GLUCOSAMINE
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:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of HBP, a multifunctional protein with a serine proteinase fold.
Nat.Struct.Biol., 4, 1997
1HTN
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HUMAN TETRANECTIN, A TRIMERIC PLASMINOGEN BINDING PROTEIN WITH AN ALPHA-HELICAL COILED COIL
Descriptor:TETRANECTIN, CALCIUM ION
Authors:Nielsen, B.B., Kastrup, J.S., Rasmussen, H., Holtet, T.L., Graversen, J.H., Etzerodt, M., Thogersen, H.C., Larsen, I.K.
Deposit date:1997-05-28
Release date:1997-12-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of tetranectin, a trimeric plasminogen-binding protein with an alpha-helical coiled coil.
FEBS Lett., 412, 1997
1MS7
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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:Glutamate receptor subunit 2, ZINC ION, (S)-2-AMINO-3-(3-HYDROXY-ISOXAZOL-4-YL)PROPIONIC ACID
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:2017-08-16
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
1N0T
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X-RAY STRUCTURE OF THE GLUR2 LIGAND-BINDING CORE (S1S2J) IN COMPLEX WITH THE ANTAGONIST (S)-ATPO AT 2.1 A RESOLUTION.
Descriptor:Glutamate receptor 2, (S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSPHONOMETHOXY)-4-ISOXAZOLYL)PROPIONIC ACID, SULFATE ION, ...
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
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.
Descriptor:Glutamate receptor 2, ZINC ION, CHLORIDE ION, ...
Authors:Lunn, M.-L., Hogner, A., Stensbol, T.B., Gouaux, E., Egebjerg, J., Kastrup, J.S.
Deposit date:2003-01-14
Release date:2003-03-04
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
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.
Descriptor:Glutamate receptor 2, SULFATE ION, 3-(5-TERT-BUTYL-3-OXIDOISOXAZOL-4-YL)-L-ALANINATE
Authors:Lunn, M.L., Hogner, A., Stensbol, T.B., Gouaux, E., Egebjerg, J., Kastrup, J.S.
Deposit date:2003-01-14
Release date:2003-03-11
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor:PEPTIDE NUCLEIC ACID 5'-(*CP1*GPN*TP1*APN*CP1*GPN*LYS)-3'
Authors:Haima, G., Rasmussen, H., Schmidt, G., Jensen, D.K., Kastrup, J.S., Stafshede, P.W., Norden, B., Buchardt, O., Nielsen, P.E.
Deposit date:1999-05-14
Release date:2001-02-21
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor:Neural cell adhesion molecule 1, 140 kDa isoform
Authors: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.
Deposit date:2003-09-15
Release date:2003-11-04
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and interactions of NCAM Ig1-2-3 suggest a novel zipper mechanism for homophilic adhesion
Structure, 11, 2003
1SYH
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X-RAY STRUCTURE OF THE GLUR2 LIGAND-BINDING CORE (S1S2J) IN COMPLEX WITH (S)-CPW399 AT 1.85 A RESOLUTION.
Descriptor:Glutamate receptor 2, (S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID
Authors:Frandsen, A., Pickering, D.S., Vestergaard, B., Kasper, C., Nielsen, B.B., Greenwood, J.R., Campiani, G., Gajhede, M., Schousboe, A., Kastrup, J.S.
Deposit date:2004-04-01
Release date:2005-03-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005