7ABU
 
 | | Structure of SARS-CoV-2 Main Protease bound to RS102895 | | Descriptor: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-09-08 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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9CSY
 | | SARS-CoV-2 papain-like protease (PLpro) bound to PF-07957472 | | Descriptor: | 2-methyl-5-(4-methylpiperazin-1-yl)-N-{1-[(2P)-2-(1-methyl-1H-pyrazol-4-yl)quinolin-4-yl]cyclopropyl}benzamide, Papain-like protease, ZINC ION, ... | | Authors: | Mashalidis, E.H, Chang, J.S, Wu, H, Garnsey, M. | | Deposit date: | 2024-07-24 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.595 Å) | | Cite: | Discovery of SARS-CoV-2 papain-like protease (PL pro ) inhibitors with efficacy in a murine infection model.
Sci Adv, 10, 2024
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7WZ2
 | | SARS-CoV-2 (D614G) Spike trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | | Deposit date: | 2022-02-16 | | Release date: | 2022-07-20 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
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7WZ1
 | | SARS-CoV-2 Omicron Spike trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L. | | Deposit date: | 2022-02-16 | | Release date: | 2022-07-27 | | Last modified: | 2022-09-14 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural Study of SARS-CoV-2 Antibodies Identifies a Broad-Spectrum Antibody That Neutralizes the Omicron Variant by Disassembling the Spike Trimer.
J.Virol., 96, 2022
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7XAR
 | | Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor | | Descriptor: | 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | Authors: | Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A. | | Deposit date: | 2022-03-18 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
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7M71
 | | SARS-CoV-2 Spike:5A6 Fab complex I focused refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 5A6 Fab heavy chain, Antibody 5A6 Fab light chain, ... | | Authors: | Asarnow, D, Cheng, Y. | | Deposit date: | 2021-03-26 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-23 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
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7M7B
 | | SARS-CoV-2 Spike:Fab 3D11 complex focused refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 3D11 heavy chain, Antibody Fab 3D11 light chain, ... | | Authors: | Asarnow, D, Cheng, Y. | | Deposit date: | 2021-03-27 | | Release date: | 2021-05-26 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
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7Y42
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7ZR2
 | | Crystal structure of a chimeric protein mimic of SARS-CoV-2 Spike HR1 in complex with HR2 | | Descriptor: | Spike protein S2', Spike protein S2',Chimeric protein mimic of SARS-CoV-2 Spike HR1 | | Authors: | Camara-Artigas, A, Gavira, J.A, Cano-Munoz, M, Polo-Megias, D, Conejero-Lara, F. | | Deposit date: | 2022-05-03 | | Release date: | 2022-11-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Novel chimeric proteins mimicking SARS-CoV-2 spike epitopes with broad inhibitory activity.
Int.J.Biol.Macromol., 222, 2022
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6WJI
 | | 2.05 Angstrom Resolution Crystal Structure of C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein from SARS-CoV-2 | | Descriptor: | CHLORIDE ION, Nucleoprotein | | Authors: | Minasov, G, Shuvalova, L, Wiersum, G, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-04-13 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Serodominant SARS-CoV-2 Nucleocapsid Peptides Map to Unstructured Protein Regions.
Microbiol Spectr, 2023
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8SPH
 | | Crystal structure of chimeric omicron RBD (strain XBB.1) complexed with human ACE2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, W, Shi, K, Aihara, H, Li, F. | | Deposit date: | 2023-05-03 | | Release date: | 2023-08-02 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
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8SPI
 | | Crystal structure of chimeric omicron RBD (strain XBB.1.5) complexed with human ACE2 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, W, Shi, K, Aihara, H, Li, F. | | Deposit date: | 2023-05-03 | | Release date: | 2023-08-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structural evolution of SARS-CoV-2 omicron in human receptor recognition.
J.Virol., 97, 2023
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8SK5
 | | Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike 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, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH | | Authors: | Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y. | | Deposit date: | 2023-04-18 | | Release date: | 2023-08-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.011 Å) | | Cite: | Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants.
Sci Rep, 13, 2023
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8TBE
 | | Co-crystal structure of SARS-CoV-2 Mpro with Pomotrelvir | | Descriptor: | 3C-like proteinase nsp5, Pomotrelvir bound form | | Authors: | Olland, A, Fontano, E, White, A. | | Deposit date: | 2023-06-28 | | Release date: | 2023-08-09 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Evaluation of in vitro antiviral activity of SARS-CoV-2 M pro inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions.
Antimicrob.Agents Chemother., 67, 2023
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6ZFO
 | | Association of two complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-06-17 | | Release date: | 2020-07-08 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
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6ZDH
 | | SARS-CoV-2 Spike glycoprotein in complex with a neutralizing antibody EY6A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-06-14 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
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7MNG
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy) | | Descriptor: | (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2021-04-30 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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7MRR
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN | | Authors: | Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2021-05-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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8BSE
 | | CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab | | Descriptor: | 1D1 FAB HEAVY CHAIN, 1D1 FAB LIGHT CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. | | Deposit date: | 2022-11-25 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
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8BSF
 | | CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3D2 FAB HEAVY CHAIN, 3D2 FAB LIGHT CHAIN, ... | | Authors: | Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T. | | Deposit date: | 2022-11-25 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
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8C8P
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6OQA
 | | Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product | | Descriptor: | (3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | | Authors: | Lee, S.-J, Shigdel, U.K, Townson, S.A, Verdine, G.L. | | Deposit date: | 2019-04-26 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Genomic discovery of an evolutionarily programmed modality for small-molecule targeting of an intractable protein surface.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3U0B
 | | Crystal structure of an oxidoreductase from Mycobacterium smegmatis | | Descriptor: | Oxidoreductase, short chain dehydrogenase/reductase family protein, SODIUM ION | | Authors: | Arakaki, T.L, Staker, B.L, Clifton, M.C, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2011-09-28 | | Release date: | 2011-10-05 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and functional characterization of FabG4 from Mycolicibacterium smegmatis.
Acta Crystallogr.,Sect.F, 80, 2024
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5VP5
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7ZCF
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