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PDB: 53266 results

6NB5
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BU of 6nb5 by Molmil
Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment
Descriptor: LCA60 antigen-binding (Fab) fragment, heavy chain, light chain
Authors:Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-06
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
6NB9
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BU of 6nb9 by Molmil
Amyloid-Beta (20-34) with L-isoaspartate 23
Descriptor: Amyloid-beta A4 protein
Authors:Sawaya, M.R, Warmack, R.A, Boyer, D.R, Zee, C.T, Richards, L.S, Cascio, D, Gonen, T, Clarke, S.G, Eisenberg, D.S.
Deposit date:2018-12-06
Release date:2019-08-07
Last modified:2022-09-07
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Structure of amyloid-beta (20-34) with Alzheimer's-associated isomerization at Asp23 reveals a distinct protofilament interface.
Nat Commun, 10, 2019
6PZR
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BU of 6pzr by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with Resminostat
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, IODIDE ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-08-01
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
4WFT
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BU of 4wft by Molmil
Crystal structure of tRNA-dihydrouridine(20) synthase dsRBD domain
Descriptor: tRNA-dihydrouridine(20) synthase [NAD(P)+]-like
Authors:Bou-Nader, C, Pecqueur, L, Kamah, A, Bregeon, D, Golinelli-Pimpaneau, B, Guimaraes, B.G, Fontecave, M, Hamdane, D.
Deposit date:2014-09-17
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An extended dsRBD is required for post-transcriptional modification in human tRNAs.
Nucleic Acids Res., 43, 2015
5MEN
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BU of 5men by Molmil
Human Leukocyte Antigen A02 presenting ILAKFLHWL, in complex with cognate T-Cell Receptor
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
Authors:Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K.
Deposit date:2016-11-16
Release date:2016-12-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
6NK5
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BU of 6nk5 by Molmil
Electron Cryo-Microscopy Of Chikungunya VLP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 glycoprotein, ...
Authors:Basore, K, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-01-04
Release date:2019-05-22
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Cryo-EM Structure of Chikungunya Virus in Complex with the Mxra8 Receptor.
Cell, 177, 2019
8GVE
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BU of 8gve by Molmil
The asymmetry structure of hAE2
Descriptor: Anion exchange protein 2
Authors:Zhang, Q, Jian, L, Yao, D, Rao, B, Hu, K, Xia, Y, Cao, Y.
Deposit date:2022-09-15
Release date:2023-04-12
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:The structural basis of the pH-homeostasis mediated by the Cl - /HCO 3 - exchanger, AE2.
Nat Commun, 14, 2023
5MF5
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BU of 5mf5 by Molmil
PA3825-EAL Mg-CdG Structure
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION
Authors:Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M.
Deposit date:2016-11-17
Release date:2016-12-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
8GOK
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BU of 8gok by Molmil
Legionella OTU deubiquitinase LotA OTU1 domain
Descriptor: Legionella OTU-deubiquitinase A OTU1 domain
Authors:Shin, D, Kang, S.
Deposit date:2022-08-25
Release date:2023-04-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Legionella OTU deubiquitinase LotA OTU1 domain
To Be Published
6Q0Z
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BU of 6q0z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
Descriptor: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide, Hdac6 protein, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-08-02
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6Q1C
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BU of 6q1c by Molmil
Apo YfeA extracted from the E. coli periplasm
Descriptor: Periplasmic chelated iron-binding protein YfeA
Authors:Radka, C.D, Labiuk, S.L, DeLucas, L.J, Aller, S.G.
Deposit date:2019-08-03
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structures of the substrate-binding protein YfeA in apo and zinc-reconstituted holo forms.
Acta Crystallogr D Struct Biol, 75, 2019
6FJ5
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BU of 6fj5 by Molmil
New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-AGG-HG)
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA, ...
Authors:Golovenko, D, Rozenberg, H, Shakked, Z.
Deposit date:2018-01-20
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
6T93
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BU of 6t93 by Molmil
Nucleosome with OCT4-SOX2 motif at SHL-6
Descriptor: DNA (153-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Michael, A.K, Kempf, G, Cavadini, S, Bunker, R.D, Thoma, N.H.
Deposit date:2019-10-25
Release date:2020-05-06
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Mechanisms of OCT4-SOX2 motif readout on nucleosomes.
Science, 368, 2020
6WA2
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BU of 6wa2 by Molmil
Crystal structure of EGFR(T790M/V948R) in complex with LN3753
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2020-03-24
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
6WAK
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BU of 6wak by Molmil
A crystal structure of EGFR(T790M/V948R) in complex with LN3754
Descriptor: Epidermal growth factor receptor, MAGNESIUM ION, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, ...
Authors:Heppner, D.E, Eck, M.J.
Deposit date:2020-03-25
Release date:2021-03-31
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites.
J.Med.Chem., 65, 2022
6YST
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BU of 6yst by Molmil
Structure of the P+9 ArfB-ribosome complex with P/E hybrid tRNA in the post-hydrolysis state
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V.
Deposit date:2020-04-23
Release date:2020-08-19
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of ribosome rescue by alternative ribosome-rescue factor B.
Nat Commun, 11, 2020
6WBS
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BU of 6wbs by Molmil
Human CFTR first nucleotide binding domain with dF508/V510D
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D.
Deposit date:2020-03-27
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.857 Å)
Cite:Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
6TAM
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BU of 6tam by Molmil
X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3)
Descriptor: 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Friberg, A, Nguyen, D.
Deposit date:2019-10-30
Release date:2020-04-08
Last modified:2020-06-03
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C.
Chemmedchem, 15, 2020
7ZXA
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BU of 7zxa by Molmil
Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D)
Descriptor: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
Authors:Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
Deposit date:2022-05-20
Release date:2023-05-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
4WHV
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BU of 4whv by Molmil
E3 ubiquitin-protein ligase RNF8 in complex with Ubiquitin-conjugating enzyme E2 N and Polyubiquitin-B
Descriptor: E3 ubiquitin-protein ligase RNF8, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 N, ...
Authors:Hodge, C.D, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-09-23
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (8.3 Å)
Cite:RNF8 E3 Ubiquitin Ligase Stimulates Ubc13 E2 Conjugating Activity That Is Essential for DNA Double Strand Break Signaling and BRCA1 Tumor Suppressor Recruitment.
J.Biol.Chem., 291, 2016
7N9A
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BU of 7n9a by Molmil
Potent neutralizing nanobodies resist convergent circulating variants of SARS-CoV-2 by targeting novel and conserved epitopes-CovS RBD with NB21
Descriptor: Nanobody Nb21, Spike protein S1
Authors:Sun, D, Zhang, C, Shi, Y.
Deposit date:2021-06-17
Release date:2021-08-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Potent neutralizing nanobodies resist convergent circulating variants of SARS-CoV-2 by targeting novel and conserved epitopes
To Be Published
6Q0X
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BU of 6q0x by Molmil
The cryo-EM structure of the SNX-BAR Mvp1 tetramer
Descriptor: Sorting nexin MVP1
Authors:Sun, D, Ford, M.G.J, Zhang, P.
Deposit date:2019-08-02
Release date:2020-04-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The cryo-EM structure of the SNX-BAR Mvp1 tetramer.
Nat Commun, 11, 2020
7TR8
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BU of 7tr8 by Molmil
Cascade complex from type I-A CRISPR-Cas system
Descriptor: CRISPR-associated endonuclease Cas3-HD, CRISPR-associated helicase Cas3, Cas11a, ...
Authors:Hu, C, Ni, D, Nam, K.H, Majumdar, S, McLean, J, Stahlberg, H, Terns, M, Ke, A.
Deposit date:2022-01-28
Release date:2022-08-10
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Allosteric control of type I-A CRISPR-Cas3 complexes and establishment as effective nucleic acid detection and human genome editing tools.
Mol.Cell, 82, 2022
7A0P
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BU of 7a0p by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11i
Descriptor: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
7TRA
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BU of 7tra by Molmil
Cascade complex from type I-A CRISPR-Cas system
Descriptor: CRISPR-associated endonuclease Cas3-HD, CRISPR-associated helicase Cas3, Cas11a, ...
Authors:Hu, C, Ni, D, Nam, K.H, Majumdar, S, McLean, J, Stahlberg, H, Terns, M, Ke, A.
Deposit date:2022-01-28
Release date:2022-08-10
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Allosteric control of type I-A CRISPR-Cas3 complexes and establishment as effective nucleic acid detection and human genome editing tools.
Mol.Cell, 82, 2022

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