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7NT6
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BU of 7nt6 by Molmil
CryoEM structure of the Nipah virus nucleocapsid spiral clam-shaped assembly
Descriptor: Nucleoprotein, RNA (42-MER), RNA (48-MER)
Authors:Ker, D.S, Jenkins, H.T, Greive, S.J, Antson, A.A.
Deposit date:2021-03-09
Release date:2021-07-07
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:CryoEM structure of the Nipah virus nucleocapsid assembly.
Plos Pathog., 17, 2021
7NT5
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BU of 7nt5 by Molmil
CryoEM structure of the Nipah virus nucleocapsid single helical turn assembly
Descriptor: Nucleoprotein, RNA (78-MER)
Authors:Ker, D.S, Jenkins, H.T, Greive, S.J, Antson, A.A.
Deposit date:2021-03-09
Release date:2021-07-07
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:CryoEM structure of the Nipah virus nucleocapsid assembly.
Plos Pathog., 17, 2021
7EKZ
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BU of 7ekz by Molmil
Structural and functional insights into Hydra Actinoporin-Like Toxin 1 (HALT-1)
Descriptor: FORMIC ACID, GLYCEROL, HALT-1
Authors:Ker, D.S, Sha, X.H, Jonet, M.A, Hwang, J.S, Ng, C.L.
Deposit date:2021-04-07
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural and functional analysis of Hydra Actinoporin-Like Toxin 1 (HALT-1).
Sci Rep, 11, 2021
1SYH
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BU of 1syh by Molmil
X-RAY STRUCTURE OF THE GLUR2 LIGAND-BINDING CORE (S1S2J) IN COMPLEX WITH (S)-CPW399 AT 1.85 A RESOLUTION.
Descriptor: (S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID, Glutamate receptor 2
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:2023-08-23
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
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
1SYI
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BU of 1syi by Molmil
X-RAY STRUCTURE OF THE Y702F MUTANT OF THE GLUR2 LIGAND-BINDING CORE (S1S2J) IN COMPLEX WITH (S)-CPW399 AT 2.1 A RESOLUTION.
Descriptor: (S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID, Glutamate receptor 2
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:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005
2CMO
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BU of 2cmo by Molmil
The structure of a mixed glur2 ligand-binding core dimer in complex with (s)-glutamate and the antagonist (s)-ns1209
Descriptor: 2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Kasper, C, Pickering, D.S, Mirza, O, Olsen, L, Kristensen, A.S, Greenwood, J.R, Liljefors, T, Schousboe, A, Watjen, F, Gajhede, M, Sigurskjold, B.W, Kastrup, J.S.
Deposit date:2006-05-11
Release date:2006-06-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Structure of a Mixed Glur2 Ligand-Binding Core Dimer in Complex with (S)-Glutamate and the Antagonist (S)-Ns1209.
J.Mol.Biol., 357, 2006
2JLW
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BU of 2jlw by Molmil
Dengue virus 4 NS3 helicase in complex with ssRNA2
Descriptor: 5'-R(*UP*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', GLYCEROL, PHOSPHATE ION, ...
Authors:Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J.
Deposit date:2008-09-15
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein
Embo J., 27, 2008
2JLV
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BU of 2jlv by Molmil
Dengue virus 4 NS3 helicase in complex with ssRNA and AMPPNP
Descriptor: 5'-R(*AP*GP*AP*CP*UP*AP*AP*CP*AP*AP*CP*U)-3', CHLORIDE ION, GLYCEROL, ...
Authors:Luo, D.H, Xu, T, Watson, R.P, Becker, D.S, Sampath, A, Jahnke, W, Yeong, S.S, Wang, C.H, Lim, S.P, Vasudevan, S.G, Lescar, J.
Deposit date:2008-09-15
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights Into RNA Unwinding and ATP Hydrolysis by the Flavivirus Ns3 Protein
Embo J., 27, 2008
1XHY
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BU of 1xhy by Molmil
X-ray structure of the Y702F mutant of the GluR2 ligand-binding core (S1S2J) in complex with kainate at 1.85 A resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor, SULFATE ION
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:2004-09-21
Release date:2005-03-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005
8QJ7
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BU of 8qj7 by Molmil
Cryo-EM structure of human DNA polymerase alpha-primase in pre-initiation stage 1
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA polymerase alpha subunit B, ...
Authors:Yin, Z, Pellegrini, L.
Deposit date:2023-09-12
Release date:2024-02-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:CryoEM insights into RNA primer synthesis by the human primosome.
Febs J., 291, 2024
7VXR
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BU of 7vxr by Molmil
Crystal structure of BPSL1038 from Burkholderia pseudomallei
Descriptor: BPSL1038, SODIUM ION
Authors:Shaibullah, S, Mohd-Sharif, M, Ho, K.L, Firdaus-Raih, M, Nathan, S, Mohamed, R, Teh, A.K, Waterman, J, Ng, C.L.
Deposit date:2021-11-13
Release date:2023-08-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and functional analyses of Burkholderia pseudomallei BPSL1038 reveal a Cas-2/VapD nuclease sub-family.
Commun Biol, 6, 2023
7VXT
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BU of 7vxt by Molmil
Crystal structure of a selenomethionine-labeled BPSL1038 from Burkholderia pseudomallei
Descriptor: BETA-MERCAPTOETHANOL, BPSL1038, SODIUM ION
Authors:Shaibullah, S, Mohd-Sharif, M, Ho, K.L, Firdaus-Raih, M, Nathan, S, Mohamed, R, Teh, A.K, Waterman, J, Ng, C.L.
Deposit date:2021-11-13
Release date:2023-08-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural and functional analyses of Burkholderia pseudomallei BPSL1038 reveal a Cas-2/VapD nuclease sub-family.
Commun Biol, 6, 2023
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
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.9 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
8R36
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BU of 8r36 by Molmil
Crystal structure of the Gluk1 ligand-binding domain in complex with kainate and BPAM538 at 1.90 A resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, ...
Authors:Bay, Y, Frantsen, S.M, Frydenvang, K, Kastrup, J.S.
Deposit date:2023-11-08
Release date:2024-08-14
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the GluK1 ligand-binding domain with kainate and the full-spanning positive allosteric modulator BPAM538.
J.Struct.Biol., 216, 2024
8R32
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BU of 8r32 by Molmil
Crystal structure of the GluK2 ligand-binding domain in complex with L-glutamate and BPAM344 at 1.60 A resolution
Descriptor: 4-cyclopropyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide, CHLORIDE ION, GLUTAMIC ACID, ...
Authors:Bay, Y, Jeppesen, M.E, Frydenvang, K, Kastrup, J.S.
Deposit date:2023-11-08
Release date:2024-09-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The positive allosteric modulator BPAM344 and L-glutamate introduce an active-like structure of the ligand-binding domain of GluK2.
Febs Lett., 598, 2024
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
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
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
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
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
4G8N
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BU of 4g8n by Molmil
Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist G8M
Descriptor: (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid, CHLORIDE ION, Glutamate receptor, ...
Authors:Venskutonyte, R, Kastrup, J.S, Frydenvang, K, Gajhede, M.
Deposit date:2012-07-23
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pharmacological and structural characterization of conformationally restricted (S)-glutamate analogues at ionotropic glutamate receptors.
J.Struct.Biol., 180, 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
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
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

 

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