9AT1
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![BU of 9at1 by Molmil](/molmil-images/mine/9at1) | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylcyclohexyl 2-pyrrolidone inhibitor (R-enantiomer) | 分子名称: | (1S,2S)-2-{[N-({[(2R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, TETRAETHYLENE GLYCOL | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2024-02-26 | 公開日 | 2024-07-10 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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9AT3
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![BU of 9at3 by Molmil](/molmil-images/mine/9at3) | Crystal structure of SARS-CoV-2 3CL protease in complex with an ethylcyclohexyl 2-pyrrolidone inhibitor | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2024-02-26 | 公開日 | 2024-07-10 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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9AT4
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![BU of 9at4 by Molmil](/molmil-images/mine/9at4) | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptane 2-pyrrolidone inhibitor | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2024-02-26 | 公開日 | 2024-07-10 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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9AT5
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![BU of 9at5 by Molmil](/molmil-images/mine/9at5) | Crystal structure of SARS-CoV-2 3CL protease in complex with a 1-methyl-4,4-difluorocyclohexyl 2-pyrrolidone inhibitor | 分子名称: | (1R,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(4,4-difluorocyclohexyl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2024-02-26 | 公開日 | 2024-07-10 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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9AT6
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![BU of 9at6 by Molmil](/molmil-images/mine/9at6) | Crystal structure of SARS-CoV-2 3CL protease in complex with a methylbicyclo[2.2.1]heptene 2-pyrrolidone inhibitor | 分子名称: | (1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2024-02-26 | 公開日 | 2024-07-10 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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9AT7
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![BU of 9at7 by Molmil](/molmil-images/mine/9at7) | Crystal structure of SARS-CoV-2 3CL protease in complex with a 2,2-difluoro-5-methylbenzo[1,3]dioxole 2-pyrrolidone inhibitor | 分子名称: | (1R,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[({(2S)-1-[(2,2-difluoro-2H-1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidin-2-yl}methoxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ... | 著者 | Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | 登録日 | 2024-02-26 | 公開日 | 2024-07-10 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-Guided Design of Potent Coronavirus Inhibitors with a 2-Pyrrolidone Scaffold: Biochemical, Crystallographic, and Virological Studies. J.Med.Chem., 67, 2024
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9FW2
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![BU of 9fw2 by Molmil](/molmil-images/mine/9fw2) | |
8Q5Y
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![BU of 8q5y by Molmil](/molmil-images/mine/8q5y) | cryoEM structure of SARS-CoV2 Spike trimer in complex with Fab23 | 分子名称: | Monoclonal antibody Mab 23 (Heavy Chain), Monoclonal antibody Mab 23 (Light chain), Spike glycoprotein | 著者 | Hallberg, M, Das, H. | 登録日 | 2023-08-10 | 公開日 | 2024-07-17 | 最終更新日 | 2024-08-07 | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | 主引用文献 | Multi-compartmental diversification of neutralizing antibody lineages dissected in SARS-CoV-2 spike-immunized macaques. Nat Commun, 15, 2024
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8THF
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![BU of 8thf by Molmil](/molmil-images/mine/8thf) | SARS-CoV-2 BA.1 S-6P-no-RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1,Spike glycoprotein | 著者 | Bu, F, Li, F, Liu, B. | 登録日 | 2023-07-15 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | 主引用文献 | cryo-EM structure of SARS-CoV-2 BA.1 spike with RBD truncated To Be Published
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8VD7
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![BU of 8vd7 by Molmil](/molmil-images/mine/8vd7) | MicroED structure of SARS-CoV-2 main protease (MPro/3CLPro) with missing cone eliminated by suspended drop | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION | 著者 | Bu, G, Gillman, C, Danelius, E, Hattne, J, Nannenga, B.L, Gonen, T. | 登録日 | 2023-12-14 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2.15 Å) | 主引用文献 | Eliminating the missing cone challenge through innovative approaches. J Struct Biol X, 9, 2024
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8XSE
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![BU of 8xse by Molmil](/molmil-images/mine/8xse) | SARS-CoV-2 RBD + IMCAS-123 + IMCAS-72 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-123 H chain, IMCAS-123 L chain, ... | 著者 | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | 登録日 | 2024-01-09 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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8XSF
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![BU of 8xsf by Molmil](/molmil-images/mine/8xsf) | SARS-CoV-2 RBD + IMCAS-364 + hACE2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, IMCAS-364 H chain, ... | 著者 | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | 登録日 | 2024-01-09 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.16 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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8XSI
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![BU of 8xsi by Molmil](/molmil-images/mine/8xsi) | SARS-CoV-2 RBD + IMCAS-364 (Local Refinement) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-364 H chain, IMCAS-364 L chain, ... | 著者 | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | 登録日 | 2024-01-09 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.1 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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8XSJ
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![BU of 8xsj by Molmil](/molmil-images/mine/8xsj) | SARS-CoV-2 Omicron BA.4 RBD + IMCAS-316 + ACE2 | 分子名称: | 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, ... | 著者 | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | 登録日 | 2024-01-09 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.61 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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8XSL
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![BU of 8xsl by Molmil](/molmil-images/mine/8xsl) | SARS-CoV-2 spike + IMCAS-123 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS-123 heavy chain, ... | 著者 | Tong, Z, Cui, Y, Xie, Y, Tong, J, Gao, G.F, Qi, J. | 登録日 | 2024-01-09 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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8Y0Y
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![BU of 8y0y by Molmil](/molmil-images/mine/8y0y) | Cryo-EM structure of the 123-316 scDb/PT-RBD complex | 分子名称: | 123-316 scDb, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | 著者 | Jia, G.W, Tong, Z, Tong, J.Y, Su, Z.M. | 登録日 | 2024-01-23 | 公開日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | 主引用文献 | Deciphering a reliable synergistic bispecific strategy of rescuing antibodies for SARS-CoV-2 escape variants, including BA.2.86, EG.5.1, and JN.1. Cell Rep, 43, 2024
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9FZ4
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![BU of 9fz4 by Molmil](/molmil-images/mine/9fz4) | |
9FZK
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![BU of 9fzk by Molmil](/molmil-images/mine/9fzk) | |
8UZE
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![BU of 8uze by Molmil](/molmil-images/mine/8uze) | Crystal structure of chimeric bat coronavirus BANAL-20-236 RBD complexed with chimeric mouse ACE2 | 分子名称: | 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, ... | 著者 | Zhang, W, Shi, K, Aihara, H, Li, F. | 登録日 | 2023-11-15 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (3.03 Å) | 主引用文献 | Crystal structure of chimeric RBD complexed with chimeric mouse ACE2 To Be Published
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8VIF
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![BU of 8vif by Molmil](/molmil-images/mine/8vif) | |
8VKE
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![BU of 8vke by Molmil](/molmil-images/mine/8vke) | |
8W4F
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![BU of 8w4f by Molmil](/molmil-images/mine/8w4f) | SARS-CoV-2 spike protein in complex with a trivalent nanobody | 分子名称: | Spike glycoprotein, Tribody | 著者 | Jiang, X.Y, Qian, J.Q, Zhu, H.X, Qin, Q, Huang, Q. | 登録日 | 2023-08-24 | 公開日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Structure-guided design of a trivalent nanobody cluster targeting SARS-CoV-2 spike protein. Int.J.Biol.Macromol., 256, 2024
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8WDR
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![BU of 8wdr by Molmil](/molmil-images/mine/8wdr) | Crystal structure of BQ.1.1 RBD complexed with human ACE2 | 分子名称: | 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, ... | 著者 | Li, W, Xie, Y. | 登録日 | 2023-09-16 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (3.47 Å) | 主引用文献 | Key mechanistic features of the trade-off between antibody escape and host cell binding in the SARS-CoV-2 Omicron variant spike proteins. Embo J., 43, 2024
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8WDS
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![BU of 8wds by Molmil](/molmil-images/mine/8wds) | Crystal structure of BF.7 RBD complexed with human ACE2 | 分子名称: | 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, ... | 著者 | Li, W, Xie, Y. | 登録日 | 2023-09-16 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Key mechanistic features of the trade-off between antibody escape and host cell binding in the SARS-CoV-2 Omicron variant spike proteins. Embo J., 43, 2024
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8WDY
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![BU of 8wdy by Molmil](/molmil-images/mine/8wdy) | SARS-CoV-2 Omicron BQ.1.1 RBD complexed with human ACE2 | 分子名称: | 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, ... | 著者 | Li, W, Xie, Y. | 登録日 | 2023-09-16 | 公開日 | 2024-07-24 | 実験手法 | ELECTRON MICROSCOPY (2.69 Å) | 主引用文献 | Key mechanistic features of the trade-off between antibody escape and host cell binding in the SARS-CoV-2 Omicron variant spike proteins. Embo J., 43, 2024
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