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6XF5
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BU of 6xf5 by Molmil
Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L.
Deposit date:2020-06-15
Release date:2020-09-02
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
6XG6
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BU of 6xg6 by Molmil
Full-length human mitochondrial Hsp90 (TRAP1) with ADP-BeF3
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Heat shock protein 75 kDa, ...
Authors:Liu, Y.X, Wang, F, Agard, D.A.
Deposit date:2020-06-17
Release date:2020-09-30
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:General and robust covalently linked graphene oxide affinity grids for high-resolution cryo-EM.
Proc.Natl.Acad.Sci.USA, 117, 2020
6X5X
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BU of 6x5x by Molmil
Crystal structure o BmooMP-I, a P-I metalloproteinase from Bothrops moojeni
Descriptor: CALCIUM ION, SULFATE ION, Snake venom metalloproteinase BmooMP-I, ...
Authors:Salvador, G.H.M, Borges, R.J, Fontes, M.R.M.
Deposit date:2020-05-27
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Biochemical, pharmacological and structural characterization of BmooMP-I, a new P-I metalloproteinase from Bothrops moojeni venom.
Biochimie, 179, 2020
6RC8
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BU of 6rc8 by Molmil
Cryo-EM structure of the anti-feeding prophage (AFP) helical sheath in contracted state
Descriptor: Afp2, Afp3
Authors:Desfosses, A.
Deposit date:2019-04-11
Release date:2019-04-17
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Atomic structures of an entire contractile injection system in both the extended and contracted states.
Nat Microbiol, 4, 2019
5VTM
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BU of 5vtm by Molmil
The crystal structure of minor pseudopilin ternary complex of XcpVWX from the Type 2 secretion system of Pseudomonas aeruginosa
Descriptor: CALCIUM ION, Type II secretion system protein I, Type II secretion system protein J, ...
Authors:Zhang, Y, Jia, Z.
Deposit date:2017-05-17
Release date:2018-05-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.041 Å)
Cite:Structure-guided disruption of the pseudopilus tip complex inhibits the Type II secretion in Pseudomonas aeruginosa.
PLoS Pathog., 14, 2018
6X64
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BU of 6x64 by Molmil
Legionella pneumophila Dot T4SS PR
Descriptor: Type IV secretion system unknown protein fragment
Authors:Durie, C.L, Sheedlo, M.J, Chung, J.M, Byrne, B.G, Su, M, Knight, T, Swanson, M.S, Lacy, D.B, Ohi, M.D.
Deposit date:2020-05-27
Release date:2020-10-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural analysis of the Legionella pneumophila Dot/Icm type IV secretion system core complex.
Elife, 9, 2020
4V7D
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BU of 4v7d by Molmil
Structure of the Ribosome with Elongation Factor G Trapped in the Pre-Translocation State (pre-translocation 70S*tRNA*EF-G structure)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Brilot, A.F, Korostelev, A.A, Ermolenko, D.N, Grigorieff, N.
Deposit date:2013-11-21
Release date:2014-07-09
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structure of the ribosome with elongation factor G trapped in the pretranslocation state.
Proc.Natl.Acad.Sci.USA, 110, 2013
5VTX
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BU of 5vtx by Molmil
Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225M/L226T/S228A mutant apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2017-05-18
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Diversity of Functionally Permissive Sequences in the Receptor-Binding Site of Influenza Hemagglutinin.
Cell Host Microbe, 21, 2017
4ZT1
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BU of 4zt1 by Molmil
Crystal structure of human E-Cadherin (residues 3-213) in x-dimer conformation
Descriptor: CALCIUM ION, Cadherin-1
Authors:Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E.
Deposit date:2015-05-14
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
J.Med.Chem., 59, 2016
3V96
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BU of 3v96 by Molmil
Complex of matrix metalloproteinase-10 catalytic domain (MMP-10cd) with tissue inhibitor of metalloproteinases-1 (TIMP-1)
Descriptor: CALCIUM ION, Metalloproteinase inhibitor 1, PHOSPHATE ION, ...
Authors:Batra, J, Soares, A.S, Radisky, E.S.
Deposit date:2011-12-23
Release date:2012-03-28
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Matrix metalloproteinase-10 (MMP-10) interaction with tissue inhibitors of metalloproteinases TIMP-1 and TIMP-2: binding studies and crystal structure.
J.Biol.Chem., 287, 2012
1MNE
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BU of 1mne by Molmil
TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MG-PYROPHOSPHATE
Descriptor: MAGNESIUM ION, MYOSIN, PYROPHOSPHATE 2-
Authors:Smith, C.A, Rayment, I.
Deposit date:1995-04-20
Release date:1996-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray structure of the magnesium(II)-pyrophosphate complex of the truncated head of Dictyostelium discoideum myosin to 2.7 A resolution.
Biochemistry, 34, 1995
5A9E
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BU of 5a9e by Molmil
Cryo-electron tomography and subtomogram averaging of Rous-Sarcoma- Virus deltaMBD virus-like particles
Descriptor: DELTAMBD GAG PROTEIN
Authors:Schur, F.K.M, Dick, R.A, Hagen, W.J.H, Vogt, V.M, Briggs, J.A.G.
Deposit date:2015-07-21
Release date:2015-08-12
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:The Structure of Immature-Like Rous Sarcoma Virus Gag Particles Reveals a Structural Role for the P10 Domain in Assembly.
J.Virol., 89, 2015
4V9E
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BU of 4v9e by Molmil
Crystal Structure of Rift Valley Fever Virus Nucleocapsid Protein Hexamer Bound to Single-stranded RNA.
Descriptor: 35-mer poly(U) RNA, Nucleocapsid protein
Authors:Raymond, D.D, Smith, J.L.
Deposit date:2012-09-19
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Phleboviruses encapsidate their genomes by sequestering RNA bases.
Proc.Natl.Acad.Sci.USA, 109, 2012
4W4N
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BU of 4w4n by Molmil
Crystal structure of human Fc at 1.80 A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Caaveiro, J.M.M, Kiyoshi, M, Tsumoto, K.
Deposit date:2014-08-15
Release date:2015-04-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for binding of human IgG1 to its high-affinity human receptor Fc gamma RI
Nat Commun, 6, 2015
3VFR
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BU of 3vfr by Molmil
crystal structure of HLA B*3508LPEP-P4Ala, peptide mutant P4-ala
Descriptor: Beta-2-microglobulin, LPEP peptide from EBV, P4A, ...
Authors:Liu, Y.C, Rossjohn, J, Gras, S.
Deposit date:2012-01-10
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Energetic Basis Underpinning T-cell Receptor Recognition of a Super-bulged Peptide Bound to a Major Histocompatibility Complex Class I Molecule.
J.Biol.Chem., 287, 2012
1MIF
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BU of 1mif by Molmil
MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF)
Descriptor: MACROPHAGE MIGRATION INHIBITORY FACTOR
Authors:Sun, H.-W, Lolis, E.
Deposit date:1996-01-26
Release date:1996-12-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure at 2.6-A resolution of human macrophage migration inhibitory factor.
Proc.Natl.Acad.Sci.USA, 93, 1996
6X81
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BU of 6x81 by Molmil
Crystal Structure of TNFalpha with isoquinoline compound 2
Descriptor: Tumor necrosis factor, [4-(isoquinolin-8-yl)phenyl]acetonitrile
Authors:Longenecker, K.L, Stoll, V.S.
Deposit date:2020-06-01
Release date:2021-01-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6X8E
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BU of 6x8e by Molmil
Crystal structure of JAK2 with Compound 11
Descriptor: Tyrosine-protein kinase JAK2, [3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
1W8F
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BU of 1w8f by Molmil
PSEUDOMONAS AERUGINOSA LECTIN II (PA-IIL)COMPLEXED WITH LACTO-N-NEO- FUCOPENTAOSE V(LNPFV)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
Authors:Perret, S, Sabin, C, Dumon, C, Budova, M, Gautier, C, Galanina, O, Ilia, S, Bovin, N, Nicaise, M, Desmadril, M, Gilboa-Garber, N, Wimmerova, M, Mitchell, E.P, Imberty, A.
Deposit date:2004-09-21
Release date:2005-03-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structural Basis for the Interaction between Human Milk Oligosaccharides and the Bacterial Lectin Pa-Iil of Pseudomonas Aeruginosa.
Biochem.J., 389, 2005
5VY4
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BU of 5vy4 by Molmil
Thermoplasma acidophilum 20S Proteasome using 200keV with image shift
Descriptor: Proteasome subunit alpha, Proteasome subunit beta
Authors:Herzik Jr, M.A, Wu, M, Lander, G.C.
Deposit date:2017-05-24
Release date:2017-06-14
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Achieving better-than-3- angstrom resolution by single-particle cryo-EM at 200 keV.
Nat. Methods, 14, 2017
3VP2
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BU of 3vp2 by Molmil
Crystal structure of human glutaminase in complex with inhibitor 2
Descriptor: 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine), Glutaminase kidney isoform, mitochondrial, ...
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
6X8G
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BU of 6x8g by Molmil
Crystal structure of TYK2 with Compound 22
Descriptor: Non-receptor tyrosine-protein kinase TYK2, trans-3-(cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutane-1-carbonitrile
Authors:Vajdos, F.F, Knafels, J.D.
Deposit date:2020-06-01
Release date:2020-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases.
J.Med.Chem., 63, 2020
3VHL
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BU of 3vhl by Molmil
Crystal structure of the DHR-2 domain of DOCK8 in complex with Cdc42 (T17N mutant)
Descriptor: Cell division control protein 42 homolog, Dedicator of cytokinesis protein 8, PHOSPHATE ION
Authors:Hanawa-Suetsugu, K, Kukimoto-Niino, M, Nishizak, T, Terada, T, Shirouzu, M, Fukui, Y, Yokoyama, S.
Deposit date:2011-08-26
Release date:2012-06-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.085 Å)
Cite:DOCK8 is a Cdc42 activator critical for interstitial dendritic cell migration during immune responses.
Blood, 119, 2012
6R4R
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BU of 6r4r by Molmil
Cryo-EM Structure of the PI3-Kinase SH3 Domain Amyloid Fibril
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha
Authors:Roeder, C, Vettore, N, Mangels, L.N, Gremer, L, Ravelli, R.B.G, Willbold, D, Hoyer, W, Buell, A.K, Schroder, G.F.
Deposit date:2019-03-23
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Atomic structure of PI3-kinase SH3 amyloid fibrils by cryo-electron microscopy.
Nat Commun, 10, 2019
4ZWR
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BU of 4zwr by Molmil
Crystal Structure of the Bacteriophage T4 recombination mediator protein UvsY, Lattice Type II
Descriptor: Recombination protein uvsY
Authors:Gajewski, S, White, S.W.
Deposit date:2015-05-19
Release date:2016-03-02
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (3.3857 Å)
Cite:Structure and mechanism of the phage T4 recombination mediator protein UvsY.
Proc.Natl.Acad.Sci.USA, 113, 2016

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