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6WXD
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SARS-CoV-2 Nsp9 RNA-replicase
Descriptor: Non-structural protein 9, SULFATE ION
Authors:Littler, D.R, Gully, B.S, Riboldi-Tunnicliffe, A, Rossjohn, J.
Deposit date:2020-05-10
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the SARS-CoV-2 Non-structural Protein 9, Nsp9.
Iscience, 23, 2020
6WX4
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Crystal structure of the SARS CoV-2 Papain-like protease in complex with peptide inhibitor VIR251
Descriptor: Non-structural protein 3, VIR251, ZINC ION
Authors:Lv, Z, Olsen, S.K.
Deposit date:2020-05-09
Release date:2020-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design.
Sci Adv, 6, 2020
6WTT
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Crystals Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor GC-376
Descriptor: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ...
Authors:Sacco, M, Ma, C, Chen, Y, Wang, J.
Deposit date:2020-05-03
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease.
Cell Res., 30, 2020
6YVF
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BU of 6yvf by Molmil
Structure of SARS-CoV-2 Main Protease bound to AZD6482.
Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6YUN
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1.45 Angstrom Resolution Crystal Structure of C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein from SARS-CoV-2
Descriptor: Nucleoprotein
Authors:Zinzula, L, Basquin, J, Nagy, I, Bracher, A.
Deposit date:2020-04-27
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:High-resolution structure and biophysical characterization of the nucleocapsid phosphoprotein dimerization domain from the Covid-19 severe acute respiratory syndrome coronavirus 2.
Biochem.Biophys.Res.Commun., 538, 2021
6X1B
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BU of 6x1b by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with the Product Nucleotide GpU.
Descriptor: 1,2-ETHANEDIOL, DNA (5'-R(*GP*U)-3'), PHOSPHATE ION, ...
Authors:Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-18
Release date:2020-05-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
6WZU
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The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group
Descriptor: CHLORIDE ION, GLYCEROL, Non-structural protein 3, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-14
Release date:2020-05-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
6WPT
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BU of 6wpt by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 neutralizing antibody Fab fragment (open state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S309 neutralizing antibody heavy chain, ...
Authors:Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-04-27
Release date:2020-05-27
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020
6WZO
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Structure of SARS-CoV-2 Nucleocapsid dimerization domain, P1 form
Descriptor: Nucleoprotein
Authors:Ye, Q, Corbett, K.D.
Deposit date:2020-05-14
Release date:2020-05-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Architecture and self-assembly of the SARS-CoV-2 nucleocapsid protein.
Protein Sci., 29, 2020
6WPS
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BU of 6wps by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the S309 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, S309 neutralizing antibody heavy chain, ...
Authors:Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, De Marco, A, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-04-27
Release date:2020-05-27
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020
6WZQ
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BU of 6wzq by Molmil
Structure of SARS-CoV-2 Nucleocapsid dimerization domain, P21 form
Descriptor: Nucleoprotein, SULFATE ION
Authors:Ye, Q, Corbett, K.D.
Deposit date:2020-05-14
Release date:2020-05-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Architecture and self-assembly of the SARS-CoV-2 nucleocapsid protein.
Protein Sci., 29, 2020
6WS6
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BU of 6ws6 by Molmil
Structural and functional analysis of a potent sarbecovirus neutralizing antibody
Descriptor: O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500), S309 antigen-binding (Fab) fragment, heavy chain, ...
Authors:Pinto, D, Park, Y.J, Beltramello, M, Walls, A.C, Tortorici, M.A, Bianchi, S, Jaconi, S, Culap, K, Zatta, F, Marco, A.D, Peter, A, Guarino, B, Spreafico, R, Cameroni, E, Case, J.B, Chen, R.E, Havenar-Daughton, C, Snell, G, Telenti, A, Virgin, H.W, Lanzavecchia, A, Diamond, M.S, Fink, K, Veesler, D, Corti, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-04-30
Release date:2020-05-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Cross-neutralization of SARS-CoV-2 by a human monoclonal SARS-CoV antibody.
Nature, 583, 2020
7C01
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Molecular basis for a potent human neutralizing antibody targeting SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CB6 heavy chain, CB6 light chain, ...
Authors:Shi, R, Qi, J, Wang, Q, Gao, F.G, Yan, J.
Deposit date:2020-04-29
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:A human neutralizing antibody targets the receptor-binding site of SARS-CoV-2.
Nature, 584, 2020
7BW4
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BU of 7bw4 by Molmil
Structure of the RNA-dependent RNA polymerase from SARS-CoV-2
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
Authors:Peng, Q, Peng, R, Shi, Y.
Deposit date:2020-04-13
Release date:2020-05-27
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural and Biochemical Characterization of the nsp12-nsp7-nsp8 Core Polymerase Complex from SARS-CoV-2.
Cell Rep, 31, 2020
6X4I
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Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate
Descriptor: 1,2-ETHANEDIOL, 3'-URIDINEMONOPHOSPHATE, SODIUM ION, ...
Authors:Chang, C, Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-05-22
Release date:2020-06-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
7BWJ
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BU of 7bwj by Molmil
crystal structure of SARS-CoV-2 antibody with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Wang, X, Ge, J.
Deposit date:2020-04-14
Release date:2020-06-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Human neutralizing antibodies elicited by SARS-CoV-2 infection.
Nature, 584, 2020
7BZF
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BU of 7bzf by Molmil
COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ...
Authors:Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
Deposit date:2020-04-27
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
7C2K
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BU of 7c2k by Molmil
COVID-19 RNA-dependent RNA polymerase pre-translocated catalytic complex
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA (29-MER), ...
Authors:Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
Deposit date:2020-05-07
Release date:2020-06-03
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
6Z43
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Cryo-EM Structure of SARS-CoV-2 Spike : H11-D4 Nanobody Complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody, ...
Authors:Ruza, R.R, Duyvesteyn, H.M.E, Shah, P, Carrique, L, Ren, J, Malinauskas, T, Zhou, D, Stuart, D.I, Naismith, J.H.
Deposit date:2020-05-22
Release date:2020-06-03
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for a potent neutralising single-domain antibody that blocks SARS-CoV-2 binding to its receptor ACE2
To Be Published
5RHE
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BU of 5rhe by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-42 (Mpro-x2052)
Descriptor: 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-05-16
Release date:2020-06-10
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RHF
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PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-34 (Mpro-x2754)
Descriptor: 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-05-16
Release date:2020-06-10
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RHC
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BU of 5rhc by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib053 (Mpro-x2119)
Descriptor: (E)-1-(1H-imidazol-2-yl)methanimine, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-05-16
Release date:2020-06-10
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RHD
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BU of 5rhd by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with SF013 (Mpro-x2193)
Descriptor: 1-[4-(methylsulfonyl)phenyl]piperazine, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-05-16
Release date:2020-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RHB
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BU of 5rhb by Molmil
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib030 (Mpro-x2097)
Descriptor: (E)-1-(pyrimidin-2-yl)methanimine, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F.
Deposit date:2020-05-16
Release date:2020-06-10
Last modified:2021-02-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
7BYR
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BD23-Fab in complex with the S ectodomain trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ab23-Fab-Heavy Chain, ...
Authors:Zhu, Q, Wang, G, Xiao, J.
Deposit date:2020-04-24
Release date:2020-06-10
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.84 Å)
Cite:Potent Neutralizing Antibodies against SARS-CoV-2 Identified by High-Throughput Single-Cell Sequencing of Convalescent Patients' B Cells.
Cell, 182, 2020

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数据于2024-05-15公开中

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