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6ODL
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BU of 6odl by Molmil
Crystal structure of GluN2A agonist binding domain with 4-butyl-(S)-CCG-IV
分子名称: (1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid, Glutamate receptor ionotropic, NMDA 2A,Glutamate receptor ionotropic, ...
著者Mou, T.C, Clausen, R.P, Sprang, S.R, Hansen, K.B.
登録日2019-03-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Stereoselective synthesis of novel 2'-(S)-CCG-IV analogues as potent NMDA receptor agonists.
Eur.J.Med.Chem., 212, 2021
4JWX
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BU of 4jwx by Molmil
GluN2A ligand-binding core in complex with propyl-NHP5G
分子名称: (2R)-amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)ethanoic acid, GluN2A
著者Hansen, K.B, Tajima, N, Risgaard, R, Perszyk, R.E, Jorgensen, L, Vance, K.M, Ogden, K.K, Clausen, R.P, Furukawa, H, Traynelis, S.F.
登録日2013-03-27
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural determinants of agonist efficacy at the glutamate binding site of N-methyl-d-aspartate receptors.
Mol.Pharmacol., 84, 2013
4JWY
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BU of 4jwy by Molmil
GluN2D ligand-binding core in complex with propyl-NHP5G
分子名称: (2R)-amino(1-hydroxy-4-propyl-1H-pyrazol-5-yl)ethanoic acid, Glutamate receptor ionotropic, NMDA 2D
著者Hansen, K.B, Tajima, N, Risgaard, R, Perszyk, R.E, Jorgensen, L, Vance, K.M, Ogden, K.K, Clausen, R.P, Furukawa, H, Traynelis, S.F.
登録日2013-03-27
公開日2013-05-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural determinants of agonist efficacy at the glutamate binding site of N-methyl-d-aspartate receptors.
Mol.Pharmacol., 84, 2013
2WKY
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BU of 2wky by Molmil
Crystal structure of the ligand-binding core of GluR5 in complex with the agonist 4-AHCP
分子名称: 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE, CHLORIDE ION, GLUTAMATE RECEPTOR, ...
著者Naur, P, Gajhede, M, Kastrup, J.S.
登録日2009-06-18
公開日2009-07-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Glutamate Receptor Glur5 Agonist (S)-2-Amino-3-(3-Hydroxy-7,8-Dihydro-6H-Cyclohepta[D]Isoxazol-4-Yl)Propionic Acid and the 8-Methyl Analogue: Synthesis, Molecular Pharmacology, and Biostructural Characterization
J.Med.Chem., 52, 2009
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
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
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
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2024-01-10
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
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
分子名称: (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, ...
著者Kastrup, J.S, Frydenvang, K, Al-musaed, A.
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 (1.55 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
7REC
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BU of 7rec by Molmil
Structure of Thr354Asn, Glu355Gln, Thr412Asn, Ile414Met, Ile464His, and Phe467Met mutant human CaMKII alpha hub bound to 5-HDC
分子名称: 5-hydroxydiclofenac, Calcium/calmodulin-dependent protein kinase type II subunit alpha, SODIUM ION
著者McSpadden, E.D, Chi, C.C, Gee, C.L, Kuriyan, J.
登録日2021-07-12
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献GHB analogs confer neuroprotection through specific interaction with the CaMKII alpha hub domain.
Proc.Natl.Acad.Sci.USA, 118, 2021
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
分子名称: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
著者Kastrup, J.S, Gajhede, M.
登録日2007-11-11
公開日2007-12-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural proof of a dimeric positive modulator bridging two identical AMPA receptor-binding sites
Chem.Biol., 14, 2007
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
分子名称: (5R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2010-10-22
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
J. Med. Chem., 53, 2010
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
分子名称: (7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid, ACETIC ACID, CACODYLATE ION, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2010-10-22
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.476 Å)
主引用文献Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
J. Med. Chem., 53, 2010
6Q54
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BU of 6q54 by Molmil
Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(1-ethyl-4-hydroxy-1H-1,2,3-triazol-5-yl)propanoic acid at 1.4 A resolution
分子名称: (2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid, CHLORIDE ION, CITRIC ACID, ...
著者Moellerud, S, Temperini, P, Kastrup, J.S.
登録日2018-12-07
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands.
J.Med.Chem., 62, 2019
6Q60
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BU of 6q60 by Molmil
Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(2-methyl-5-hydroxy-2H-1,2,3-triazol-4-yl)propanoic acid at 1.55 A resolution
分子名称: (2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid, CHLORIDE ION, GLYCEROL, ...
著者Moellerud, S, Temperini, P, Kastrup, J.S.
登録日2018-12-10
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands.
J.Med.Chem., 62, 2019
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
分子名称: 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID, GLUTAMIC ACID, Glutamate receptor 2, ...
著者Frydenvang, K, Kastrup, J.S, Gajhede, M.
登録日2007-03-07
公開日2007-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
J.Med.Chem., 50, 2007
5CC2
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BU of 5cc2 by Molmil
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
5LY1
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BU of 5ly1 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
分子名称: CHLORIDE ION, CP2, GLYCEROL, ...
著者King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
5LY2
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JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer)
分子名称: CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ...
著者Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J.
登録日2016-09-23
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017

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