8H3L
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir | Descriptor: | 3C-like proteinase nsp5, 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: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | Deposit date: | 2022-10-08 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H6I
| The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5 | Authors: | Lin, M, Liu, X. | Deposit date: | 2022-10-17 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H51
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Nirmatrelvir | 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 nsp5 | Authors: | Lin, M, Liu, X. | Deposit date: | 2022-10-11 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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8H7K
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8H3K
| Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 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: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | Deposit date: | 2022-10-08 | Release date: | 2023-10-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023
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7SI2
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7SD5
| Crystallographic structure of neutralizing antibody 10-40 in complex with SARS-CoV-2 spike receptor binding domain | Descriptor: | 10-40 Heavy chain, 10-40 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Reddem, E.R, Casner, R.G, Shapiro, L. | Deposit date: | 2021-09-29 | Release date: | 2022-04-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses. Sci Transl Med, 14, 2022
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7THK
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7TTX
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7TTM
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7TTY
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5IQ7
| Crystal structure of 10E8-S74W Fab in complex with an HIV-1 gp41 peptide. | Descriptor: | 10E8-S74W Heavy Chain, 10E8-S74W Light Chain, gp41 MPER peptide | Authors: | Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D. | Deposit date: | 2016-03-10 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2869 Å) | Cite: | Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design. J.Virol., 90, 2016
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7UKL
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5IQ9
| Crystal structure of 10E8v4 Fab in complex with an HIV-1 gp41 peptide. | Descriptor: | 10E8v4 Heavy Chain, 10E8v4 Light Chain, gp41 MPER peptide | Authors: | Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D. | Deposit date: | 2016-03-10 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design. J.Virol., 90, 2016
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6VU2
| M1214_N1 Fab structure | Descriptor: | M1214 N1 Fab heavy chain, M1214 N1 Fab light chain | Authors: | Pan, R, Kong, X. | Deposit date: | 2020-02-14 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | VSV-Displayed HIV-1 Envelope Identifies Broadly Neutralizing Antibodies Class-Switched to IgG and IgA. Cell Host Microbe, 27, 2020
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6VY2
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6XF6
| Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up) | 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: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-06-15 | Release date: | 2020-09-02 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes. SSRN, 2020
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6XF5
| Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down) | 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: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-06-15 | Release date: | 2020-09-02 | Last modified: | 2020-12-02 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes. SSRN, 2020
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7KNI
| Cryo-EM structure of Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7KNE
| Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.85 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7KMB
| ACE2-RBD Focused Refinement Using Symmetry Expansion of Applied C3 for Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-02 | Release date: | 2020-12-09 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7KNH
| Cryo-EM Structure of Double ACE2-Bound SARS-CoV-2 Trimer Spike at pH 5.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-16 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7KNB
| Cryo-EM structure of single ACE2-bound SARS-CoV-2 trimer spike at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-04 | Release date: | 2020-12-09 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7KMS
| Cryo-EM structure of triple ACE2-bound SARS-CoV-2 trimer spike at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-03 | Release date: | 2020-12-09 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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7KMZ
| Cryo-EM structure of double ACE2-bound SARS-CoV-2 trimer Spike at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Gorman, J, Kwong, P.D, Shapiro, L. | Deposit date: | 2020-11-03 | Release date: | 2020-12-09 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains. Cell Host Microbe, 28, 2020
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