8OUO
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![BU of 8ouo by Molmil](/molmil-images/mine/8ouo) | Human TPC2 in Complex with Antagonist (S)-SG-094 | Descriptor: | (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | Authors: | Chi, G, Pike, A.C.W, Maclean, E.M, Li, H, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, McKinley, G, Fernandez-Cid, A, Duerr, K. | Deposit date: | 2023-04-24 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for inhibition of the lysosomal two-pore channel TPC2 by a small molecule antagonist. Structure, 2024
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8J5J
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![BU of 8j5j by Molmil](/molmil-images/mine/8j5j) | The crystal structure of bat coronavirus RsYN04 RBD bound to the antibody S43 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nano antibody S43 | Authors: | Zhao, R.C, Niu, S, Han, P, Qi, J.X, Gao, G.F, Wang, Q.H. | Deposit date: | 2023-04-23 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cross-species recognition of bat coronavirus RsYN04 and cross-reaction of SARS-CoV-2 antibodies against the virus. Zool.Res., 44, 2023
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8SKH
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![BU of 8skh by Molmil](/molmil-images/mine/8skh) | Co-structure of SARS-CoV-2 (COVID-19 with covalent pyrazoline based inhibitors | Descriptor: | 2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one, 3C-like proteinase nsp5 | Authors: | Knapp, M.S, Ornelas, E. | Deposit date: | 2023-04-19 | Release date: | 2023-06-07 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (1.882 Å) | Cite: | Discovery of Potent Pyrazoline-Based Covalent SARS-CoV-2 Main Protease Inhibitors. Chembiochem, 24, 2023
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8SK4
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![BU of 8sk4 by Molmil](/molmil-images/mine/8sk4) | |
8SK5
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![BU of 8sk5 by Molmil](/molmil-images/mine/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: | 2023-09-06 | 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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8SGU
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![BU of 8sgu by Molmil](/molmil-images/mine/8sgu) | Crystal structure of the SARS-CoV-2 receptor binding domain | Descriptor: | 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, GLYCEROL, ... | Authors: | Sankhala, R.S, Jensen, J.L, Joyce, M.G. | Deposit date: | 2023-04-13 | Release date: | 2023-12-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antibody targeting of conserved sites of vulnerability on the SARS-CoV-2 spike receptor-binding domain. Structure, 32, 2024
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8SG6
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![BU of 8sg6 by Molmil](/molmil-images/mine/8sg6) | SARS-CoV-2 Main Protease (Mpro) H163A Mutant Reduced with 20mM TCEP | Descriptor: | 3C-like proteinase nsp5, GLYCEROL | Authors: | Tran, N, McLeod, M.J, Barwell, S, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T. | Deposit date: | 2023-04-11 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease. Nat Commun, 14, 2023
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8IX3
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![BU of 8ix3 by Molmil](/molmil-images/mine/8ix3) | Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement) | Descriptor: | BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11 | Authors: | Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S. | Deposit date: | 2023-03-31 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant. J.Virol., 97, 2023
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8S9Z
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![BU of 8s9z by Molmil](/molmil-images/mine/8s9z) | Mpro inhibitors of SARS-CoV-2 | Descriptor: | 3C-like proteinase nsp5, Mpro inhibitor | Authors: | Blankenship, L.R, Liu, W.R. | Deposit date: | 2023-03-30 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of MPI89 with Mpro of SARS-CoV-2 at 1.85A resolution. To Be Published
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8S9G
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![BU of 8s9g by Molmil](/molmil-images/mine/8s9g) | SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ... | Authors: | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | Deposit date: | 2023-03-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neutralization, effector function and immune imprinting of Omicron variants. Nature, 621, 2023
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8OKM
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![BU of 8okm by Molmil](/molmil-images/mine/8okm) | Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKL
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![BU of 8okl by Molmil](/molmil-images/mine/8okl) | Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKK
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![BU of 8okk by Molmil](/molmil-images/mine/8okk) | Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKN
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![BU of 8okn by Molmil](/molmil-images/mine/8okn) | Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Costanzi, E, Demitri, N, Storici, P. | Deposit date: | 2023-03-28 | Release date: | 2023-05-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8GJM
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![BU of 8gjm by Molmil](/molmil-images/mine/8gjm) | 17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer | 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: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2. J Med Virol, 95, 2023
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8GJN
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![BU of 8gjn by Molmil](/molmil-images/mine/8gjn) | 17B10 fab in complex with up-RBD of SARS-CoV-2 Spike G614 trimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 17B10 Fab, Light chain of 17B10 Fab, ... | Authors: | Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H. | Deposit date: | 2023-03-16 | Release date: | 2023-04-05 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2. J Med Virol, 95, 2023
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8GIA
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![BU of 8gia by Molmil](/molmil-images/mine/8gia) | Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with TFMU-ADPr | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate | Authors: | Wallace, S.D, Bagde, S.R, Fromme, J.C. | Deposit date: | 2023-03-13 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A Fluorescence Polarization Assay for Macrodomains Facilitates the Identification of Potent Inhibitors of the SARS-CoV-2 Macrodomain. Acs Chem.Biol., 18, 2023
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8GB0
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![BU of 8gb0 by Molmil](/molmil-images/mine/8gb0) | |
8GB6
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![BU of 8gb6 by Molmil](/molmil-images/mine/8gb6) | |
8GB7
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![BU of 8gb7 by Molmil](/molmil-images/mine/8gb7) | |
8GB8
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![BU of 8gb8 by Molmil](/molmil-images/mine/8gb8) | |
8GB5
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![BU of 8gb5 by Molmil](/molmil-images/mine/8gb5) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 25F9 | Descriptor: | 25F9 Heavy chain, 25F9 Light chain, BICINE, ... | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | Deposit date: | 2023-02-24 | Release date: | 2023-05-24 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Broadly neutralizing antibodies against sarbecoviruses generated by immunization of macaques with an AS03-adjuvanted COVID-19 vaccine. Sci Transl Med, 15, 2023
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8IGN
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![BU of 8ign by Molmil](/molmil-images/mine/8ign) | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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8IGO
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![BU of 8igo by Molmil](/molmil-images/mine/8igo) | Crystal structure of apo SARS-CoV-2 main protease | Descriptor: | 3C-like proteinase nsp5 | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | Deposit date: | 2023-02-21 | Release date: | 2023-04-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir. Nat Microbiol, 9, 2024
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8IGX
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![BU of 8igx by Molmil](/molmil-images/mine/8igx) | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 9 (simnotrelvir, SIM0417, SSD8432) | Descriptor: | (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | Deposit date: | 2023-02-21 | Release date: | 2023-10-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir. Nat Commun, 14, 2023
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