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7L0N
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Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D.
Deposit date:2020-12-11
Release date:2021-02-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
7KG1
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Structure of human PARG complexed with PARG-002
Descriptor: 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione, CACODYLATE ION, DIMETHYL SULFOXIDE, ...
Authors:Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A.
Deposit date:2020-10-15
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
7KG7
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Structure of human PARG complexed with PARG-292
Descriptor: 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ...
Authors:Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A.
Deposit date:2020-10-16
Release date:2021-03-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
7KFP
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Structure of human PARG complexed with PARG-119
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide, ...
Authors:Brosey, C.A, Bommagani, S, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A.
Deposit date:2020-10-14
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
7KG0
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Structure of human PARG complexed with PARG-131
Descriptor: 1,2-ETHANEDIOL, 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione, Poly(ADP-ribose) glycohydrolase, ...
Authors:Arvai, A, Bommagani, S, Brosey, C.A, Jones, D.E, Warden, L.S, Ahmed, Z, Tainer, J.A.
Deposit date:2020-10-15
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
7KG6
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Structure of human PARG complexed with PARG-322
Descriptor: 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid, Poly(ADP-ribose) glycohydrolase
Authors:Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A.
Deposit date:2020-10-16
Release date:2021-03-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
7KG8
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Structure of human PARG complexed with PARG-061
Descriptor: 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one, CACODYLATE ION, DIMETHYL SULFOXIDE, ...
Authors:Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A.
Deposit date:2020-10-16
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
7L2E
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BU of 7l2e by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 4-18 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-18 heavy chain, ...
Authors:Cerutti, G, Shapiro, L.
Deposit date:2020-12-16
Release date:2021-03-24
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
7L2F
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Cryo-EM structure of NTD-directed neutralizing antibody 5-24 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-24 heavy chain, ...
Authors:Cerutti, G, Shapiro, L.
Deposit date:2020-12-16
Release date:2021-03-24
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
7L2D
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BU of 7l2d by Molmil
Cryo-EM structure of NTD-directed neutralizing antibody 1-87 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 1-87 heavy chain, 1-87 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cerutti, G, Shapiro, L.
Deposit date:2020-12-16
Release date:2021-03-24
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies directed against spike N-terminal domain target a single supersite.
Cell Host Microbe, 29, 2021
7JQB
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BU of 7jqb by Molmil
SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
Authors:Yuan, S, Xiong, Y.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
7JXC
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BU of 7jxc by Molmil
Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology
Descriptor: NONAETHYLENE GLYCOL, S2H14 antigen-binding (Fab) fragment
Authors:Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
Deposit date:2020-08-27
Release date:2020-10-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
7JZN
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BU of 7jzn by Molmil
SARS-CoV-2 spike in complex with LCB3 (2RBDs open)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCB3, ...
Authors:Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-02
Release date:2020-09-23
Last modified:2020-11-04
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:De novo design of picomolar SARS-CoV-2 miniprotein inhibitors.
Science, 370, 2020
7JVO
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BU of 7jvo by Molmil
Importin alpha bound to the C-terminus of ACE2
Descriptor: ARG-LYS-LYS-LYS-ASN-LYS-ALA, Importin subunit alpha-1
Authors:Forwood, J.K, Cross, E.M, Tsimbalyuk, S.
Deposit date:2020-08-22
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Targeting novel LSD1-dependent ACE2 demethylation domains inhibits SARS-CoV-2 replication.
Cell Discov, 7, 2021
7JN2
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The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441 inhibitor
Descriptor: 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-08-03
Release date:2020-08-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441
to be published
7JXE
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BU of 7jxe by Molmil
Mapping neutralizing and immunodominant sites on the SARS-CoV-2 spike receptor-binding domain by structure-guided high-resolution serology
Descriptor: S2X35 antigen-binding (Fab) fragment
Authors:Tortorici, M.A, Park, Y.J, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D.
Deposit date:2020-08-27
Release date:2020-10-14
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.043 Å)
Cite:Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology.
Cell, 183, 2020
7JMO
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-04
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA2-04 heavy chain, COVA2-04 light chain, ...
Authors:Wu, N.C, Yuan, M, Liu, H, Zhu, X, Wilson, I.A.
Deposit date:2020-08-02
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.359 Å)
Cite:An Alternative Binding Mode of IGHV3-53 Antibodies to the SARS-CoV-2 Receptor Binding Domain.
Cell Rep, 33, 2020
7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-08-12
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
7K4N
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BU of 7k4n by Molmil
SARS-CoV-2 spike in complex with the S2E12 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2E12 neutralizing antibody Fab fragment (heavy chain), ...
Authors:Tortorici, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-15
Release date:2020-10-07
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Ultrapotent human antibodies protect against SARS-CoV-2 challenge via multiple mechanisms.
Science, 370, 2020
7K0E
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1.90 A resolution structure of SARS-CoV-2 3CL protease in complex with deuterated GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL
Authors:Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C.
Deposit date:2020-09-04
Release date:2021-07-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JIW
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BU of 7jiw by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-23
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
7JJI
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Structure of SARS-CoV-2 3Q-2P full-length prefusion spike trimer (C3 symmetry)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ...
Authors:Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B.
Deposit date:2020-07-26
Release date:2020-08-26
Last modified:2020-12-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate.
Science, 370, 2020
7JIV
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BU of 7jiv by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530 inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-23
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
7JJJ
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Structure of SARS-CoV-2 3Q-2P full-length dimers of spike trimers
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bangaru, S, Turner, H.L, Ozorowski, G, Antanasijevic, A, Ward, A.B.
Deposit date:2020-07-26
Release date:2020-08-26
Last modified:2020-12-23
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural analysis of full-length SARS-CoV-2 spike protein from an advanced vaccine candidate.
Science, 370, 2020
7JMP
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-39
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA2-39 heavy chain, COVA2-39 light chain, ...
Authors:Wu, N.C, Yuan, M, Liu, H, Zhu, X, Wilson, I.A.
Deposit date:2020-08-02
Release date:2020-08-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.712 Å)
Cite:An Alternative Binding Mode of IGHV3-53 Antibodies to the SARS-CoV-2 Receptor Binding Domain.
Cell Rep, 33, 2020

226707

數據於2024-10-30公開中

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