7Z59
 
 | | SARS-CoV-2 main protease (Mpro) covalently modified with a penicillin derivative | | 分子名称: | (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 | | 著者 | 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. | | 登録日 | 2022-03-08 | | 公開日 | 2022-06-29 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Penicillin Derivatives Inhibit the SARS-CoV-2 Main Protease by Reaction with Its Nucleophilic Cysteine.
J.Med.Chem., 65, 2022
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7YZX
 | | ScpA from Streptococcus pyogenes, D783A mutant. | | 分子名称: | C5a peptidase, CALCIUM ION, MALONIC ACID, ... | | 著者 | Kagawa, T.F, Cooney, J.C, Jain, M. | | 登録日 | 2022-02-21 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | X-ray diffraction data for the C5a-peptidase mutant with modified activity and specificity.
Data Brief, 46, 2023
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7ZBU
 | | CryoEM structure of SARS-CoV-2 spike monomer in complex with neutralising antibody P008_60 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, P008_60 antibody, ... | | 著者 | Rosa, A, Pye, V.E, Cronin, N, Cherepanov, P. | | 登録日 | 2022-03-24 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (4.31 Å) | | 主引用文献 | A neutralizing epitope on the SD1 domain of SARS-CoV-2 spike targeted following infection and vaccination.
Cell Rep, 40, 2022
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8UND
 | | X-ray Structure of SARS-CoV-2 main protease covalently bound to inhibitor GRL-190-21 at 1.90 A. | | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, ORF1a polyprotein | | 著者 | Mesecar, A.D, Lendy, E.K, Ghosh, A.K, Center for Structural Biology of Infectious Diseases (CSBID) | | 登録日 | 2023-10-18 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | X-ray Structure of SARS-CoV-2 main protease covalently bound to inhibitor GRL-190-21 at 1.90 A.
To Be Published
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7YUE
 | | Epitope-directed anti-SARS CoV 2 scFv engineered against the key spike protein region. | | 分子名称: | Single chain variable Fragment, Spike protein S2 | | 著者 | Kumar, U, Jaiswal, D, Gaur, V, Salunke, D.M. | | 登録日 | 2022-08-17 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Epitope-directed anti-SARS-CoV-2 scFv engineered against the key spike protein region could block membrane fusion.
Protein Sci., 32, 2023
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7Z3U
 | | Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ... | | 著者 | 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. | | 登録日 | 2022-03-02 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | 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 | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | 著者 | 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. | | 登録日 | 2022-03-02 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7Z2K
 | | Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121 | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | 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. | | 登録日 | 2022-02-28 | | 公開日 | 2023-03-22 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
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7YP1
 | | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 10E4 (localized refinement) | | 分子名称: | 10E4 heavy chain, 10E4 light chain, EBV gH, ... | | 著者 | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | | 登録日 | 2022-08-02 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.54 Å) | | 主引用文献 | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
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7YOY
 | | Cryo-EM structure of EBV gHgL-gp42 in complex with mAbs 3E8 and 5E3 (localized refinement) | | 分子名称: | 3E8 heavy chain, 3E8 light chain, 5E3 heavy chain, ... | | 著者 | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | | 登録日 | 2022-08-02 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.64 Å) | | 主引用文献 | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
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7YP2
 | | Cryo-EM structure of EBV gHgL-gp42 in complex with mAb 6H2 (localized refinement) | | 分子名称: | 6H2 heavy chain, 6H2 light chain, Envelope glycoprotein H | | 著者 | Liu, L, Sun, H, Jiang, Y, Hong, J, Zheng, Q, Li, S, Chen, Y, Xia, N. | | 登録日 | 2022-08-02 | | 公開日 | 2024-01-31 | | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | | 主引用文献 | Non-overlapping epitopes on the gHgL-gp42 complex for the rational design of a triple-antibody cocktail against EBV infection.
Cell Rep Med, 4, 2023
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8VAO
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8VIA
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8XUS
 | | JN.1 Spike Trimer in complex with heparan sulfate | | 分子名称: | 2-O-sulfo-beta-L-altropyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | 著者 | Yue, C, Liu, P. | | 登録日 | 2024-01-14 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.18 Å) | | 主引用文献 | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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8GB0
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8I9E
 | | S-RBD(Omicron BA.3) in complex with PD of 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, Processed angiotensin-converting enzyme 2, ... | | 著者 | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | | 登録日 | 2023-02-06 | | 公開日 | 2024-02-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural Basis for the Enhanced Infectivity and Immune Evasion of Omicron Subvariants.
Viruses, 15, 2023
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8HR2
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7ZL1
 | | PTX3 Pentraxin Domain | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pentraxin-related protein PTX3 | | 著者 | Noone, D.P, Sharp, T.H. | | 登録日 | 2022-04-13 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | PTX3 structure determination using a hybrid cryoelectron microscopy and AlphaFold approach offers insights into ligand binding and complement activation.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8I30
 | | Crystal structure of the SARS-CoV-2 main protease in complex with 32j | | 分子名称: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | | 著者 | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | | 登録日 | 2023-01-16 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023
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8X4Z
 | | BA.2.86 Spike Trimer with ins483V mutation (3 RBD down) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Yue, C, Liu, P. | | 登録日 | 2023-11-16 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.49 Å) | | 主引用文献 | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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8X56
 | | BA.2.86 Spike Trimer with T356K mutation (1 RBD up) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Yue, C, Liu, P. | | 登録日 | 2023-11-16 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.93 Å) | | 主引用文献 | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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8WHZ
 | | BA.2.86 RBD in complex with hACE2 (local refinement) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ... | | 著者 | Yue, C, Liu, P. | | 登録日 | 2023-09-23 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-08-21 | | 実験手法 | ELECTRON MICROSCOPY (3.93 Å) | | 主引用文献 | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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8X55
 | | BA.2.86 Spike Trimer with T356K mutation (3 RBD down) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Yue, C, Liu, P. | | 登録日 | 2023-11-16 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-08-14 | | 実験手法 | ELECTRON MICROSCOPY (3.75 Å) | | 主引用文献 | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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8WHU
 | | Spike Trimer of BA.2.86 in complex with two hACE2s | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Processed angiotensin-converting enzyme 2, ... | | 著者 | Yue, C, Liu, P. | | 登録日 | 2023-09-23 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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8X5R
 | | SARS-CoV-2 BA.2.75 Spike with K356T mutation (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 | Yue, C, Liu, P. | | 登録日 | 2023-11-17 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (3.72 Å) | | 主引用文献 | Spike N354 glycosylation augments SARS-CoV-2 fitness for human adaptation through structural plasticity.
Natl Sci Rev, 11, 2024
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