6XEY
| Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-4 | 分子名称: | 2-4 Heavy Chain, 2-4 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Rapp, M, Shapiro, L, Ho, D.D. | 登録日 | 2020-06-14 | 公開日 | 2020-07-22 | 最終更新日 | 2021-01-27 | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | 主引用文献 | Potent neutralizing antibodies against multiple epitopes on SARS-CoV-2 spike. Nature, 584, 2020
|
|
6XF5
| Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down) | 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 glycoprotein | 著者 | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | 登録日 | 2020-06-15 | 公開日 | 2020-09-02 | 最終更新日 | 2020-12-02 | 実験手法 | ELECTRON MICROSCOPY (3.45 Å) | 主引用文献 | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes. SSRN, 2020
|
|
6XF6
| Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up) | 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 glycoprotein | 著者 | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | 登録日 | 2020-06-15 | 公開日 | 2020-09-02 | 最終更新日 | 2020-12-02 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes. SSRN, 2020
|
|
6XFN
| Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with UAW243 | 分子名称: | 3C-like proteinase, GLYCEROL, UAW243 | 著者 | Sacco, M, Ma, C, Wang, J, Chen, Y. | 登録日 | 2020-06-15 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L. Sci Adv, 6, 2020
|
|
6XG3
| The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, at room temperature | 分子名称: | CHLORIDE ION, Non-structural protein 3, PHOSPHATE ION, ... | 著者 | Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2020-06-16 | 公開日 | 2020-06-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors. Nat Commun, 12, 2021
|
|
6XGC
| |
6XHL
| Covalent complex of SARS-CoV main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | 分子名称: | 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | 著者 | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | 登録日 | 2020-06-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.471 Å) | 主引用文献 | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
|
|
6XHM
| Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | 著者 | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | 登録日 | 2020-06-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.406 Å) | 主引用文献 | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
|
|
6XHN
| Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | 分子名称: | (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL, 3C-like proteinase | 著者 | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | 登録日 | 2020-06-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.377 Å) | 主引用文献 | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
|
|
6XHO
| Covalent complex of SARS-CoV main protease with ethyl (4R)-4-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | 分子名称: | 1,2-ETHANEDIOL, 3C-like proteinase, ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | 登録日 | 2020-06-19 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.446 Å) | 主引用文献 | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
|
|
6XHU
| |
6XK0
| Albumin-dexamethasone complex | 分子名称: | Albumin, CITRATE ANION, DEXAMETHASONE, ... | 著者 | Czub, M.P, Majorek, K.A, Shabalin, I.G, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2020-06-24 | 公開日 | 2020-07-15 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Molecular determinants of vascular transport of dexamethasone in COVID-19 therapy. Iucrj, 7, 2020
|
|
6XKL
| SARS-CoV-2 HexaPro S One RBD up | 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 glycoprotein | 著者 | Wrapp, D, Hsieh, C.-L, Goldsmith, J.A, McLellan, J.S. | 登録日 | 2020-06-26 | 公開日 | 2020-07-15 | 最終更新日 | 2020-09-30 | 実験手法 | ELECTRON MICROSCOPY (3.21 Å) | 主引用文献 | Structure-based design of prefusion-stabilized SARS-CoV-2 spikes. Science, 369, 2020
|
|
6XKP
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ... | 著者 | Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A. | 登録日 | 2020-06-26 | 公開日 | 2020-10-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model. Cell, 183, 2020
|
|
6XKQ
| Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-250 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-250 Heavy Chain, CV07-250 Light Chain, ... | 著者 | Yuan, M, Liu, H, Zhu, X, Wu, N.C, Wilson, I.A. | 登録日 | 2020-06-26 | 公開日 | 2020-10-14 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model. Cell, 183, 2020
|
|
6XMK
| 1.70 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 7j | 分子名称: | (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, TETRAETHYLENE GLYCOL | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | 登録日 | 2020-06-30 | 公開日 | 2020-07-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice. Sci Transl Med, 12, 2020
|
|
6XQS
| Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir | 分子名称: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase | 著者 | Kneller, D.W, Kovalevsky, A, Coates, L. | 登録日 | 2020-07-10 | 公開日 | 2020-07-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals. Structure, 28, 2020
|
|
6XQT
| Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir | 分子名称: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kneller, D.W, Kovalevsky, A, Coates, L. | 登録日 | 2020-07-10 | 公開日 | 2020-07-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals. Structure, 28, 2020
|
|
6XQU
| |
6XR3
| |
6XRZ
| The 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome | 分子名称: | Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome | 著者 | Zhang, K, Zheludev, I, Hagey, R, Wu, M, Haslecker, R, Hou, Y, Kretsch, R, Pintilie, G, Rangan, R, Kladwang, W, Li, S, Pham, E, Souibgui, C, Baric, R, Sheahan, T, Souza, V, Glenn, J, Chiu, W, Das, R. | 登録日 | 2020-07-14 | 公開日 | 2020-08-19 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (6.9 Å) | 主引用文献 | Cryo-electron Microscopy and Exploratory Antisense Targeting of the 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome. Biorxiv, 2020
|
|
6Y2E
| |
6Y2F
| Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b) | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | 著者 | Zhang, L, Lin, D, Sun, X, Hilgenfeld, R. | 登録日 | 2020-02-15 | 公開日 | 2020-03-04 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors. Science, 368, 2020
|
|
6Y2G
| Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b) | 分子名称: | 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | 著者 | Zhang, L, Lin, D, Sun, X, Hilgenfeld, R. | 登録日 | 2020-02-15 | 公開日 | 2020-03-04 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors. Science, 368, 2020
|
|
6Y7M
| Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | 著者 | Zhang, L, Lin, D, Hilgenfeld, R. | 登録日 | 2020-03-01 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors. Science, 368, 2020
|
|