9BO6
 
 | | Crystal Structure of A173V/L50F SARS-CoV-2 Main Protease in Complex with 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: | Papini, C, Kenneson, J, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
|
|
9BO7
 | | Crystal Structure of L50F SARS-CoV-2 Main Protease in Complex with 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: | Papini, C, Kenneson, J, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
|
|
9BO8
 | | Crystal Structure of T21I SARS-CoV-2 Main Protease in Complex with GC376 | | Descriptor: | 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Papini, C, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
|
|
9BO9
 | | Crystal Structure of T190I SARS-CoV-2 Main Protease in Complex with GC376 | | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | Authors: | Papini, C, Anderson, K.S. | | Deposit date: | 2024-05-03 | | Release date: | 2025-02-12 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Exploring Possible Drug-Resistant Variants of SARS-CoV-2 Main Protease (M pro ) with Noncovalent Preclinical Candidate, Mpro61.
Acs Bio Med Chem Au, 5, 2025
|
|
9BOA
 | |
9BOB
 | |
9BOC
 | |
9BOD
 | |
9BOE
 | |
9EX8
 | |
9EXU
 | |
9EYA
 | |
9EZ4
 | | Complex of a mutant of the SARS-CoV-2 main protease Mpro with the nsp5/6 substrate peptide. | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTAMINE, ... | | Authors: | Battistutta, R, Fornasier, E, Giachin, G. | | Deposit date: | 2024-04-10 | | Release date: | 2025-02-12 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Allostery in homodimeric SARS-CoV-2 main protease.
Commun Biol, 7, 2024
|
|
9EZ6
 | | Complex of a mutant of the SARS-CoV-2 main protease Mpro with the nsp14/15 substrate peptide. | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Battistutta, R, Fornasier, E, Giachin, G. | | Deposit date: | 2024-04-10 | | Release date: | 2025-02-12 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Allostery in homodimeric SARS-CoV-2 main protease.
Commun Biol, 7, 2024
|
|
9J19
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor minocycline | | Descriptor: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, 3C-like proteinase nsp5 | | Authors: | Singh, A, Jangid, K, Dhaka, P, Tomar, S, Kumar, P. | | Deposit date: | 2024-08-04 | | Release date: | 2025-02-12 | | Last modified: | 2025-04-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and Mechanistic Insights into the Main Protease (Mpro) Dimer Interface Destabilization Inhibitor: Unveiling New Therapeutic Avenues against SARS-CoV-2.
Biochemistry, 64, 2025
|
|
9LAE
 | | Locally refined region of SARS-CoV-2 spike in complex with antibodies 9G11 and 3E2. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 3E2, Heavy chain of 9G11, ... | | Authors: | Jiang, Y, Sun, H, Zheng, Q, Li, S. | | Deposit date: | 2025-01-02 | | Release date: | 2025-02-12 | | Last modified: | 2025-02-19 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Structural insight into broadening SARS-CoV-2 neutralization by an antibody cocktail harbouring both NTD and RBD potent antibodies.
Emerg Microbes Infect, 13, 2024
|
|
8VYA
 | |
8Z46
 | | SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor | | Descriptor: | (2~{S})-~{N}-(3-azanyl-3-oxidanylidene-propyl)-4-[4-[[(1~{S})-1-(2-chlorophenyl)-3-oxidanyl-propyl]amino]-6-(methylamino)-1,3,5-triazin-2-yl]-1-ethanoyl-piperazine-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Zhao, W.F, Xiong, L.W, Xu, Y.C. | | Deposit date: | 2024-04-16 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Covalent DNA-Encoded Library Workflow Drives Discovery of SARS-CoV-2 Nonstructural Protein Inhibitors.
J.Am.Chem.Soc., 146, 2024
|
|
8Z4W
 | | Crystal structures of SARS-CoV-2 papain-like protease in complex with covalent inhibitors | | Descriptor: | 1-[4-[[[4-(isoquinolin-5-ylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]piperidin-1-yl]ethanone, GLYCEROL, Non-structural protein 3, ... | | Authors: | Hu, H.C, Xu, Y.C. | | Deposit date: | 2024-04-17 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Covalent DNA-Encoded Library Workflow Drives Discovery of SARS-CoV-2 Nonstructural Protein Inhibitors.
J.Am.Chem.Soc., 146, 2024
|
|
9MZB
 | |
8W6W
 | | Crystal Structure of C-terminal domain of nucleocapsid protein from SARS-CoV-2 in complex with ampicillin | | Descriptor: | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, 1,2-ETHANEDIOL, Nucleoprotein | | Authors: | Dhaka, P, Mahto, J.K, Tomar, S, Kumar, P. | | Deposit date: | 2023-08-30 | | Release date: | 2025-03-05 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the RNA binding inhibitors of the C-terminal domain of the SARS-CoV-2 nucleocapsid.
J.Struct.Biol., 217, 2025
|
|
9B0Y
 | | SARS CoV-2 Spike protein Ectodomain with internal tag, all RBD-down conformation | | 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: | Singh, S, Hasan, S.S. | | Deposit date: | 2024-03-12 | | Release date: | 2025-03-05 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.32 Å) | | Cite: | Production and cryo-electron microscopy structure of an internally tagged SARS-CoV-2 spike ecto-domain construct.
J Struct Biol X, 11, 2025
|
|
9B2V
 | | SARS CoV-2 Spike protein Ectodomain with internal tag, 1RBD-up conformation | | 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: | Singh, S, Hasan, S.S. | | Deposit date: | 2024-03-17 | | Release date: | 2025-03-05 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Production and cryo-electron microscopy structure of an internally tagged SARS-CoV-2 spike ecto-domain construct.
J Struct Biol X, 11, 2025
|
|
9BJ2
 | | Structure of the SARS-CoV-2 S 6P trimer complex with the human neutralizing antibody Fab fragment, C1533 (local refinement of NTD and C1533) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C1533 Heavy Chain, C1533 Light Chain, ... | | Authors: | Rubio, A.A, Abernathy, M.E, Barnes, C.O. | | Deposit date: | 2024-04-24 | | Release date: | 2025-03-05 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Bispecific antibodies targeting the N-terminal and receptor binding domains potently neutralize SARS-CoV-2 variants of concern.
Sci Transl Med, 17, 2025
|
|
9BJ3
 | | Structure of the SARS-CoV-2 S 6P trimer complex with the human neutralizing antibody Fab fragment, C1596 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C1596 Fab Heavy Chain, ... | | Authors: | Rubio, A.A, Abernathy, M.E, Barnes, C.O. | | Deposit date: | 2024-04-24 | | Release date: | 2025-03-05 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Bispecific antibodies targeting the N-terminal and receptor binding domains potently neutralize SARS-CoV-2 variants of concern.
Sci Transl Med, 17, 2025
|
|
