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5LQQ
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BU of 5lqq by Molmil
Structure of Autotaxin (ENPP2) with LM350
Descriptor: 3-(6-chloranyl-2-methyl-1-phenyl-indol-3-yl)sulfanylbenzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Keune, W.J, Heidebrecht, T, Castelmur, E, Joosten, R.P, Perrakis, A.
Deposit date:2016-08-17
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Activity Relationships of Small Molecule Autotaxin Inhibitors with a Discrete Binding Mode.
J. Med. Chem., 60, 2017
7PFY
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BU of 7pfy by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2241
Descriptor: Inhibitor MI-2241, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PG1
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BU of 7pg1 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2221
Descriptor: Inhibitor MI-2221, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PFQ
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BU of 7pfq by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2247
Descriptor: Inhibitor MI-2247, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PGC
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BU of 7pgc by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2191
Descriptor: Inhibitor MI-2191, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-13
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PFZ
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BU of 7pfz by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2267
Descriptor: Inhibitor MI-2267, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-12
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
7PQ9
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BU of 7pq9 by Molmil
Crystal structure of Bacillus clausii pdxR at 2.8 Angstroms resolution
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Vivoli Vega, M, Isupov, M.N, Harmer, N.
Deposit date:2021-09-16
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the DNA recognition mechanism by the bacterial transcription factor PdxR.
Nucleic Acids Res., 51, 2023
7QDF
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BU of 7qdf by Molmil
Hexameric HIV-1 (M-group) CA R120 mutant
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Gag polyprotein, ...
Authors:Govasli, M.A.L, Pinotsis, N, McAlpine-Scott, S.
Deposit date:2021-11-26
Release date:2022-10-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Evasion of cGAS and TRIM5 defines pandemic HIV.
Nat Microbiol, 7, 2022
7QQB
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BU of 7qqb by Molmil
Crystal structure of the envelope glycoprotein complex of Puumala virus in complex with the scFv fragment of the broadly neutralizing human antibody ADI-42898
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope polyprotein, GLYCEROL, ...
Authors:Serris, A, Rey, F.A, Guardado-Calvo, P.
Deposit date:2022-01-07
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and mechanistic basis of neutralization by a pan-hantavirus protective antibody.
Sci Transl Med, 15, 2023
3G3E
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BU of 3g3e by Molmil
Crystal structure of human D-amino acid oxidase in complex with hydroxyquinolin-2(1H)
Descriptor: 3-hydroxyquinolin-2(1H)-one, D-amino-acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Duplantier, A, Liu, S.
Deposit date:2009-02-02
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery, SAR, and pharmacokinetics of a novel 3-Hydroxyquinolin-2(1H)-one series of potent D-amino acid oxidase (DAAO) inhibitors
J.Med.Chem., 52, 2009
7RO4
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BU of 7ro4 by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 3
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7ROI
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BU of 7roi by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 12
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7RO2
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BU of 7ro2 by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 1
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7ROE
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BU of 7roe by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 9
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7ROH
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BU of 7roh by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 11
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7ROG
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BU of 7rog by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 10
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7ROC
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BU of 7roc by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 7
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7ROB
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BU of 7rob by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 6
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7RO6
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BU of 7ro6 by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 5
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7RO3
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BU of 7ro3 by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 2
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7RO5
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BU of 7ro5 by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 4
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
7ROD
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BU of 7rod by Molmil
Cryo-EM reconstruction of Sulfolobus monocaudavirus SMV1, symmetry 8
Descriptor: major capsid protein
Authors:Wang, F, Cvirkaite-Krupovic, V, Krupovic, M, Egelman, E.H.
Deposit date:2021-07-30
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Spindle-shaped archaeal viruses evolved from rod-shaped ancestors to package a larger genome.
Cell, 185, 2022
3HR5
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BU of 3hr5 by Molmil
M1prime peptide from IgE bound by humanized antibody 47H4 Fab
Descriptor: Fab h47H4 heavy chain, Fab h47H4 light chain, GLYCEROL, ...
Authors:Eigenbrot, C.W, Ultsch, M.H.
Deposit date:2009-06-08
Release date:2010-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antibodies specific for a segment of human membrane IgE deplete IgE-producing B cells in humanized mice.
J.Clin.Invest., 120, 2010
7RAN
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BU of 7ran by Molmil
5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
Descriptor: (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ...
Authors:Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G.
Deposit date:2021-07-02
Release date:2022-07-06
Last modified:2022-11-02
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity.
Nature, 610, 2022
7RFQ
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BU of 7rfq by Molmil
STRUCTURE OF BACTERIAL SYLF DOMAIN CONTAINING PROTEIN, BETA CELL EXPANSION FACTOR A (BEFA)
Descriptor: BETA CELL EXPANSION FACTOR A (BEFA), CITRIC ACID
Authors:Sweeney, E.G.
Deposit date:2021-07-14
Release date:2022-07-20
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:BefA, a microbiota-secreted membrane disrupter, disseminates to the pancreas and increases beta cell mass.
Cell Metab., 34, 2022

223532

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