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6MC1
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BU of 6mc1 by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, ACETATE ION, ...
Authors:Gannam, Z.T.K, Anderson, K.S, Bennett, A.M, Lolis, E.
Deposit date:2018-08-30
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An allosteric site on MKP5 reveals a strategy for small-molecule inhibition.
Sci.Signal., 13, 2020
9BT8
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BU of 9bt8 by Molmil
Structure of Src in complex with beta-arrestin 1 revealing SH3 binding sites
Descriptor: Antibody fragment Fab30, heavy chain, light chain, ...
Authors:Pakharukova, N, Bansia, H, Bassford, D.K, des Georges, A, Lefkowitz, R.J.
Deposit date:2024-05-14
Release date:2024-11-13
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Beta-arrestin 1 mediated Src activation via Src SH3 domain revealed by cryo-electron microscopy.
Biorxiv, 2024
9CX9
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BU of 9cx9 by Molmil
Structure of SH3 domain of Src in complex with beta-arrestin 1
Descriptor: Antibody fragment Fab30, heavy chain, light chain, ...
Authors:Pakharukova, N, Bansia, H, Lefkowitz, R.J, des Georges, A.
Deposit date:2024-07-31
Release date:2024-11-13
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Beta-arrestin 1 mediated Src activation via Src SH3 domain revealed by cryo-electron microscopy.
Biorxiv, 2024
1ZA7
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BU of 1za7 by Molmil
The crystal structure of salt stable cowpea cholorotic mottle virus at 2.7 angstroms resolution.
Descriptor: Coat protein
Authors:Bothner, B, Speir, J.A, Qu, C, Willits, D.A, Young, M.J, Johnson, J.E.
Deposit date:2005-04-05
Release date:2006-03-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Enhanced local symmetry interactions globally stabilize a mutant virus capsid that maintains infectivity and capsid dynamics.
J.Virol., 80, 2006
4RPA
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BU of 4rpa by Molmil
Crystal structure of inorganic pyrophosphatase from Staphylococcus aureus in complex with Mn2+
Descriptor: MANGANESE (II) ION, Probable manganese-dependent inorganic pyrophosphatase
Authors:Gajadeera, C.S, Tsodikov, O.V.
Deposit date:2014-10-30
Release date:2015-01-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of inorganic pyrophosphatase from Staphylococcus aureus reveals conformational flexibility of the active site.
J.Struct.Biol., 189, 2015
7EBZ
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BU of 7ebz by Molmil
EV-D68 in complex with 2H12 Fab (state S1)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-03-11
Release date:2021-03-31
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
7ECY
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BU of 7ecy by Molmil
EV-D68 in complex with 2H12 Fab (State 3)
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-03-13
Release date:2021-03-31
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
7EC5
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BU of 7ec5 by Molmil
EV-D68 in complex with 8F12 Fab
Descriptor: 8F12 Fab heavy chain, 8F12 Fab light chain, Capsid protein VP1, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-03-11
Release date:2021-03-31
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
7EBR
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BU of 7ebr by Molmil
EV-D68 in complex with 2H12 Fab (state S2)
Descriptor: 2H12 Fab heavy chain, 2H12 Fab light chain, Capsid protein VP1, ...
Authors:Xu, C, Cong, Y.
Deposit date:2021-03-10
Release date:2021-03-31
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections.
Nat Commun, 12, 2021
4FYN
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BU of 4fyn by Molmil
Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol
Descriptor: 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Villasenor, A.G.
Deposit date:2012-07-05
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.318 Å)
Cite:Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
4P83
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BU of 4p83 by Molmil
Structure of engineered PyrR protein (PURPLE PyrR)
Descriptor: Engineered PyrR protein (Purple), URIDINE-5'-MONOPHOSPHATE
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-30
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
7EOS
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BU of 7eos by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate bound state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
Authors:Wang, H, Zhu, S.
Deposit date:2021-04-22
Release date:2021-06-30
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
7EOT
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BU of 7eot by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the CGP-78608/glutamate bound state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, NMDA 1, ...
Authors:Wang, H, Zhu, S.
Deposit date:2021-04-22
Release date:2021-06-30
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
7EOU
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BU of 7eou by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901/9-AA bound state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, 9-AMINOACRIDINE, ...
Authors:Wang, H, Zhu, S.
Deposit date:2021-04-22
Release date:2021-06-30
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
7EOQ
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BU of 7eoq by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glycine/CPP bound state
Descriptor: (2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ...
Authors:Wang, H, Zhu, S.
Deposit date:2021-04-22
Release date:2021-06-30
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
7EOR
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BU of 7eor by Molmil
Structure of the human GluN1/GluN2A NMDA receptor in the glycine/glutamate/GNE-6901 bound state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, Glutamate receptor ionotropic, ...
Authors:Wang, H, Zhu, S.
Deposit date:2021-04-22
Release date:2021-06-30
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Gating mechanism and a modulatory niche of human GluN1-GluN2A NMDA receptors.
Neuron, 109, 2021
4GQ9
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BU of 4gq9 by Molmil
Chikungunya virus neutralizing antibody 9.8B Fab fragment
Descriptor: Chikungunya virus neutralizing antibody 9.8B Fab fragment heavy chain, Chikungunya virus neutralizing antibody 9.8B Fab fragment light chain
Authors:Sun, S, Rossmann, M.G.
Deposit date:2012-08-22
Release date:2013-07-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.995 Å)
Cite:Structural analyses at pseudo atomic resolution of Chikungunya virus and antibodies show mechanisms of neutralization.
Elife, 2, 2013
4PH2
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BU of 4ph2 by Molmil
mature N-terminal domain of capsid protein from bovine leukemia virus
Descriptor: BLV capsid - N-terminal domain, GLYCEROL, SULFATE ION
Authors:Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A.
Deposit date:2014-05-03
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015
4P81
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BU of 4p81 by Molmil
Structure of ancestral PyrR protein (AncORANGEPyrR)
Descriptor: Ancestral PyrR protein (Orange), GLYCEROL, SULFATE ION
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-29
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
4P82
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BU of 4p82 by Molmil
Structure of PyrR protein from Bacillus subtilis
Descriptor: Bifunctional protein PyrR, SULFATE ION
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-30
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
8KIH
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BU of 8kih by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
Descriptor: (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ...
Authors:Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
Deposit date:2023-08-23
Release date:2023-10-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biosynthesis of Phomactin Platelet Activating Factor Antagonist Requires a Two-Enzyme Cascade.
Angew.Chem.Int.Ed.Engl., 62, 2023
8KI5
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BU of 8ki5 by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
Descriptor: (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, PhmA
Authors:Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
Deposit date:2023-08-22
Release date:2023-10-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Biosynthesis of Phomactin Platelet Activating Factor Antagonist Requires a Two-Enzyme Cascade.
Angew.Chem.Int.Ed.Engl., 62, 2023
4PH1
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BU of 4ph1 by Molmil
C-terminal domain of capsid protein from bovine leukemia virus
Descriptor: BLV capsid
Authors:Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A.
Deposit date:2014-05-03
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015
4PH3
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BU of 4ph3 by Molmil
N-terminal domain of the capsid protein from bovine leukaemia virus (with no beta-hairpin)
Descriptor: BLV capsid, GLYCEROL, IODIDE ION
Authors:Trajtenberg, F, Obal, G, Pritsch, O, Buschiazzo, A.
Deposit date:2014-05-03
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:STRUCTURAL VIROLOGY. Conformational plasticity of a native retroviral capsid revealed by x-ray crystallography.
Science, 349, 2015
7BEG
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BU of 7beg by Molmil
Structures of class I bacterial transcription complexes
Descriptor: Class I pacrA promoter non-template DNA, Class I pacrA promoter template DNA, DNA-directed RNA polymerase subunit alpha, ...
Authors:Ye, F.Z, Hao, M, Zhang, X.D.
Deposit date:2020-12-23
Release date:2021-12-01
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structures of Class I and Class II Transcription Complexes Reveal the Molecular Basis of RamA-Dependent Transcription Activation.
Adv Sci, 9, 2022

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