8DAO
 
 | | Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV44-79 | | Descriptor: | COV44-79 heavy chain constant domain, COV44-79 heavy chain variable domain, COV44-79 light chain constant domain, ... | | Authors: | Lin, T.H, Lee, C.C.D, Yuan, M, Wilson, I.A. | | Deposit date: | 2022-06-13 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
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8D6Z
 | | Crystal structure of SARS-CoV-2 spike stem fusion peptide in complex with neutralizing antibody COV91-27 | | Descriptor: | Neutralizing antibody COV91-27 heavy chain, Neutralizing antibody COV91-27 light chain, Spike protein S2 fusion peptide | | Authors: | Lee, C.C.D, Lin, T.H, Yuan, M, Wilson, I.A. | | Deposit date: | 2022-06-06 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broadly neutralizing antibodies target the coronavirus fusion peptide.
Science, 377, 2022
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7S71
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI35 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S72
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI36 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-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 | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S6X
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI30 | | 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 | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S75
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI42 | | Descriptor: | (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S6W
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S6Y
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S74
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7S6Z
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S73
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37 | | Descriptor: | (6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name), 3C-like proteinase | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7S70
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-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 | | Authors: | Yang, K.S, Sankaran, B, Liu, W.R. | | Deposit date: | 2021-09-15 | | Release date: | 2022-07-27 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
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7U09
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7U0E
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7FH0
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7P8J
 | | Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein, ... | | Authors: | Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F. | | Deposit date: | 2021-07-22 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (6.585 Å) | | Cite: | Constrained Evolution of SARS-CoV-2 Spike in Rhinolophus affinis Bats
To Be Published
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7P8I
 | | Receptor-binding domain (RBD) of the spike protein of the bat coronavirus RaTG13 virus in complex with the extracellular domain of human angiotensin-converting enzyme 2 (ACE2) - Crystal form 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | | Authors: | Scietti, L, Castelli, M, Faravelli, S, Clementi, N, Mancini, N, Forneris, F. | | Deposit date: | 2021-07-22 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Evidence of SARS-CoV-2 Direct Evolution in R. affinis Bats Driven by Affinity and Dynamics Optimization of the Spike Protein
To Be Published
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7TUU
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7U0A
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7ZL1
 | | PTX3 Pentraxin Domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pentraxin-related protein PTX3 | | Authors: | Noone, D.P, Sharp, T.H. | | Deposit date: | 2022-04-13 | | Release date: | 2022-08-03 | | Last modified: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | PTX3 structure determination using a hybrid cryoelectron microscopy and AlphaFold approach offers insights into ligand binding and complement activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7U0P
 | | SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-S21F2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Patel, A, Ortlund, E. | | Deposit date: | 2022-02-18 | | Release date: | 2022-08-10 | | Last modified: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (3.76 Å) | | Cite: | Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody.
Sci Adv, 8, 2022
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7V1T
 | | A dual Inhibitor Against Main Protease | | Descriptor: | 3C-like proteinase, 5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide | | Authors: | Yu, W.Y, Xiao, Y.B, Zhao, Y.C. | | Deposit date: | 2021-08-06 | | Release date: | 2022-08-10 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.562 Å) | | Cite: | SARS-CoV-2 Mpro complex with inhibitor
To Be Published
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7UPL
 | | SARS-Cov2 Omicron varient S protein structure in complex with neutralizing monoclonal antibody 002-S21F2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Patel, A, Ortlund, E. | | Deposit date: | 2022-04-15 | | Release date: | 2022-08-10 | | Last modified: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insights for neutralization of Omicron variants BA.1, BA.2, BA.4, and BA.5 by a broadly neutralizing SARS-CoV-2 antibody.
Sci Adv, 8, 2022
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7FAC
 | | Crystal Structure of C-terminus of the non-structural protein 2 from SARS coronavirus | | Descriptor: | Non-structural protein 2, ZINC ION | | Authors: | Li, Y.Y, Ren, Z.L, Bao, Z.H, Ming, Z.H, Yan, L.M, Lou, Z.Y, Rao, Z.H. | | Deposit date: | 2021-07-06 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | The Life of SARS-CoV-2 Inside Cells: Replication-Transcription Complex Assembly and Function.
Annu.Rev.Biochem., 91, 2022
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7FA1
 | | Crystal Structure of N-terminus of the non-structural protein 2 from SARS coronavirus | | Descriptor: | Non-structural protein 2, ZINC ION | | Authors: | Li, Y.Y, Ren, Z.L, Bao, Z.H, Ming, Z.H, Yan, L.M, Lou, Z.Y, Rao, Z.H. | | Deposit date: | 2021-07-05 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Life of SARS-CoV-2 Inside Cells: Replication-Transcription Complex Assembly and Function.
Annu.Rev.Biochem., 91, 2022
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