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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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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7U92
| SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006a | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-03-09 | Release date: | 2023-09-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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7Z59
| SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative | Descriptor: | (3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5 | Authors: | Owen, C.D, Malla, T.R, Brewitz, L, Lukacik, P, Strain-Damerell, C, Mikolajek, H, Muntean, D.G, Aslam, H, Salah, E, Tumber, A, Schofield, C.J, Walsh, M.A. | Deposit date: | 2022-03-08 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine. J.Med.Chem., 65, 2022
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7Z58
| Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin | Descriptor: | 1,2-ETHANEDIOL, Calpeptin, Cathepsin L, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-08 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7X63
| SARS-CoV-2-Beta-RBD and BD-236-GWP/P-VK antibody complex | Descriptor: | BD-236 Fab heavy chain, BD-236 Fab light chain, Spike protein S1 | Authors: | Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J. | Deposit date: | 2022-03-06 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | SARS-CoV-2-Beta-RBD and BD-236-GWP/P-VK antibody complex To Be Published
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7X66
| SARS-CoV-2-Omicron-RBD and BD-236-GWP/P-VK antibody complex | Descriptor: | BD-236 Fab heavy chain, BD-236 Fab light chain, Spike protein S1 | Authors: | Shi, R, Wang, Y, Wu, Z, Han, X, Yan, J. | Deposit date: | 2022-03-06 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | SARS-CoV-2-Omicron-RBD and BD-236-GWP/P-VK antibody complex To Be Published
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7Z3U
| Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z3T
| Crystal structure of apo human Cathepsin L | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-03-02 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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7Z39
| Structure of Belumosudil bound to CK2alpha | Descriptor: | 2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Brear, P, Hyvonen, M. | Deposit date: | 2022-03-01 | Release date: | 2022-10-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2 alpha. Acta Crystallogr.,Sect.F, 78, 2022
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7Z2K
| Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2022-02-28 | Release date: | 2023-03-22 | Last modified: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds. Nat Commun, 15, 2024
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7X2H
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7X1M
| The complex structure of Omicron BA.1 RBD with BD604, S309,and S304 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD-604 Fab heavy chain, BD-604 Fab light chain, ... | Authors: | Huang, M, Xie, Y.F, Qi, J.X. | Deposit date: | 2022-02-24 | Release date: | 2022-07-06 | Last modified: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Atlas of currently available human neutralizing antibodies against SARS-CoV-2 and escape by Omicron sub-variants BA.1/BA.1.1/BA.2/BA.3. Immunity, 55, 2022
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7U29
| Structure of SARS-CoV-2 Mpro mutant (K90R) in complex with Nirmatrelvir (PF-07321332) | 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: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2022-02-23 | Release date: | 2022-03-09 | Last modified: | 2022-06-15 | Method: | X-RAY DIFFRACTION (2.088 Å) | Cite: | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants. J.Biol.Chem., 298, 2022
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7U28
| Structure of SARS-CoV-2 Mpro Lambda (G15S) in complex with Nirmatrelvir (PF-07321332) | 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: | Greasley, S.E, Ferre, R.A, Plotnikova, O, Liu, W, Stewart, A.E. | Deposit date: | 2022-02-23 | Release date: | 2022-03-09 | Last modified: | 2022-06-15 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | Structural basis for the in vitro efficacy of nirmatrelvir against SARS-CoV-2 variants. J.Biol.Chem., 298, 2022
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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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7Z0P
| SARS-COV2 Main Protease in complex with inhibitor MG-131 | Descriptor: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-02-23 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 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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7YZX
| ScpA from Streptococcus pyogenes, D783A mutant. | Descriptor: | C5a peptidase, CALCIUM ION, MALONIC ACID, ... | Authors: | Kagawa, T.F, Cooney, J.C, Jain, M. | Deposit date: | 2022-02-21 | Release date: | 2022-08-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray diffraction data for the C5a-peptidase mutant with modified activity and specificity. Data Brief, 46, 2023
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7U0X
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7U0N
| Crystal structure of chimeric omicron RBD (strain BA.1) complexed with human ACE2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Geng, Q, Shi, K, Ye, G, Zhang, W, Aihara, H, Li, F. | Deposit date: | 2022-02-18 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural Basis for Human Receptor Recognition by SARS-CoV-2 Omicron Variant BA.1. J.Virol., 96, 2022
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7U0L
| Crystal structure of the CCoV-HuPn-2018 RBD (domain B) in complex with canine APN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ... | Authors: | Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2022-02-18 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure, receptor recognition, and antigenicity of the human coronavirus CCoV-HuPn-2018 spike glycoprotein. Cell, 185, 2022
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7U0Q
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7U0E
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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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