7RZV
 
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7RZQ
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7VLQ
 | | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J. | | Deposit date: | 2021-10-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.939106 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VU6
 | | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Yamamoto, S, Yamane, J, Tachibana, Y. | | Deposit date: | 2021-11-01 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
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7VLO
 | | Crystal structure of SARS coronavirus main protease in complex with PF07321332 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J. | | Deposit date: | 2021-10-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.0227 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VLP
 | | Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211 | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, Replicase polyprotein 1a | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J. | | Deposit date: | 2021-10-05 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.50251937 Å) | | Cite: | Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
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7VAH
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7VTH
 | | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1 | | Descriptor: | 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide, 3C-like proteinase | | Authors: | Yamamoto, S, Tachibana, Y. | | Deposit date: | 2021-10-29 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
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7T01
 | | SARS-CoV-2 S-RBD + Fab 54042-4 | | Descriptor: | 54042-4 Fab - Heavy Chain, 54042-4 Fab - Light Chain, Spike protein S1 | | Authors: | Johnson, N.V, Mclellan, J.S. | | Deposit date: | 2021-11-29 | | Release date: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | Potent neutralization of SARS-CoV-2 variants of concern by an antibody with an uncommon genetic signature and structural mode of spike recognition.
Cell Rep, 37, 2021
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7X7D
 | | SARS-CoV-2 Delta RBD and Nb22 | | Descriptor: | Nb22, Spike protein S1 | | Authors: | Wang, Y, Ye, S. | | Deposit date: | 2022-03-09 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
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7EK0
 | | Complex Structure of antibody BD-503 and RBD-N501Y of COVID-19 | | Descriptor: | Heavy Chain of BD-503, Light Chain of BD-503, Spike protein S1 | | Authors: | Xu, H, Wang, B, Zhao, T.N, Su, X.D. | | Deposit date: | 2021-04-03 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
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7EJZ
 | | Complex Structure of antibody BD-503 and RBD-S477N of COVID-19 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ... | | Authors: | Xu, H, Wang, B, Zhao, T.N, Su, X.D. | | Deposit date: | 2021-04-03 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.63 Å) | | Cite: | Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
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7EJY
 | | Complex Structure of antibody BD-503 and RBD of COVID-19 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ... | | Authors: | Xu, H, Wang, B, Zhao, T.N, Su, X.D. | | Deposit date: | 2021-04-03 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
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7Z0Y
 | | THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Spike protein S1, ... | | Authors: | Wibmer, C.K. | | Deposit date: | 2022-02-23 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
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7Z0X
 | | THSC20.HVTR26 Fab bound to SARS-CoV-2 Receptor Binding Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Spike protein S1, ... | | Authors: | Wibmer, C.K. | | Deposit date: | 2022-02-23 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A combination of potently neutralizing monoclonal antibodies isolated from an Indian convalescent donor protects against the SARS-CoV-2 Delta variant.
Plos Pathog., 18, 2022
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7QCT
 | | PDZ2 of LNX2 with SARS-CoV-2_E PBM complex | | Descriptor: | Envelope small membrane protein, Ligand of Numb protein X 2 | | Authors: | Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C. | | Deposit date: | 2021-11-25 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.197 Å) | | Cite: | Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins.
Front Microbiol, 13, 2022
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7QCR
 | | MLLT4/Afadin PDZ domain in complex with the C-terminal peptide from protein E of SARS-CoV-2 | | Descriptor: | Afadin, Envelope small membrane protein, SULFATE ION | | Authors: | Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C. | | Deposit date: | 2021-11-25 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins.
Front Microbiol, 13, 2022
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7QCS
 | | PALS1/MPP5 PDZ domain in complex with SARS-CoV-2_E PBM peptide | | Descriptor: | Envelope small membrane protein, Protein PALS1 | | Authors: | Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C. | | Deposit date: | 2021-11-25 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins.
Front Microbiol, 13, 2022
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7TPR
 | | Camel nanobodies 7A3 and 8A2 broadly neutralize SARS-CoV-2 variants | | Descriptor: | Nanobody 7A3, Nanobody 8A2, Spike glycoprotein | | Authors: | Butay, K.J, Zhu, J, Dandey, V.P, Hong, J, Kwon, H.J, Chen, C.Z, Duan, Z, Li, D, Ren, H, Liang, T, Martin, N, Esposito, D, Ortega-Rodriguez, U, Xu, M, Xie, H, Ho, M, Cachau, R, Borgnia, M.J. | | Deposit date: | 2022-01-25 | | Release date: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (2.39 Å) | | Cite: | Camel nanobodies broadly neutralize SARS-CoV-2 variants
bioRxiv, 2021
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7X7E
 | | SARS-CoV-2 RBD and Nb22 | | Descriptor: | Nb22, Spike protein S1, TETRAETHYLENE GLYCOL | | Authors: | Wang, Y, Ye, S. | | Deposit date: | 2022-03-09 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Short-Term Instantaneous Prophylaxis and Efficient Treatment Against SARS-CoV-2 in hACE2 Mice Conferred by an Intranasal Nanobody (Nb22).
Front Immunol, 13, 2022
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7R40
 | | Structure of the SARS-CoV-2 spike glycoprotein in complex with the 87G7 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, 87G7 heavy chain variable region, ... | | Authors: | Hurdiss, D.L. | | Deposit date: | 2022-02-08 | | Release date: | 2022-04-20 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | An ACE2-blocking antibody confers broad neutralization and protection against Omicron and other SARS-CoV-2 variants of concern.
Sci Immunol, 7, 2022
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7AL7
 | | The Crystal Structure of Human IL-18 in Complex With Human IL-18 Binding Protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutathione S-transferase class-mu 26 kDa isozyme,Interleukin-18, Interleukin-18-binding protein | | Authors: | Detry, S, Andries, J, Bloch, Y, Clancy, D, Savvides, S.N. | | Deposit date: | 2020-10-05 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Structural basis of human IL-18 sequestration by the decoy receptor IL-18 binding protein in inflammation and tumor immunity.
J.Biol.Chem., 298, 2022
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7QUB
 | | EV-A71-3Cpro in complex with inhibitor MG78 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, Protease 3C, SODIUM ION | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-01-17 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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7QL8
 | | SARS-COV2 Main Protease in complex with inhibitor MG78 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2021-12-19 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.807 Å) | | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease.
Molecules, 27, 2022
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7TTM
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