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7OAU
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Nanobody C5 bound to Kent variant RBD (N501Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5, GLYCEROL, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-20
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAO
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Nanobody C5 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, C5 nanobody, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAP
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BU of 7oap by Molmil
Nanobody H3 AND C1 bound to RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, C1 nanobody, CHLORIDE ION, ...
著者Naismith, J.H, Mikolajek, H.
登録日2021-04-19
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7OAN
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Nanobody C5 bound to Spike
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Naismith, J.H, Weckener, M.
登録日2021-04-19
公開日2021-08-11
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A potent SARS-CoV-2 neutralising nanobody shows therapeutic efficacy in the Syrian golden hamster model of COVID-19.
Nat Commun, 12, 2021
7MHF
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BU of 7mhf by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 100 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHG
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 240 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5302 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHK
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BU of 7mhk by Molmil
Crystal Structure of Apo/Unliganded SARS-CoV-2 Main Protease (Mpro) at 310 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9601 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHJ
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Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K and High Humidity
分子名称: 3C-like proteinase, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.0005 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHL
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BU of 7mhl by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 100 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHI
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BU of 7mhi by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 298 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHH
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BU of 7mhh by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) at 277 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1908 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MHM
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BU of 7mhm by Molmil
Ensemble refinement structure of SARS-CoV-2 main protease (Mpro) at 240 K
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION
著者Ebrahim, A, Riley, B.T, Kumaran, D, Andi, B, Fuchs, M.R, McSweeney, S, Keedy, D.A.
登録日2021-04-15
公開日2021-05-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5302 Å)
主引用文献The tem-per-ature-dependent conformational ensemble of SARS-CoV-2 main protease (M pro ).
Iucrj, 9, 2022
7MGS
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BU of 7mgs by Molmil
SARS-CoV-2 main protease in complex with N-terminal autoprocessing substrate
分子名称: 3C-like proteinase, CHLORIDE ION, SER-ALA-VAL-LEU-GLN-SER-GLY-PHE
著者MacDonald, E.A, Windsor, I.W, Hinshaw, S.M.
登録日2021-04-13
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Recognition of Divergent Viral Substrates by the SARS-CoV-2 Main Protease.
Acs Infect Dis., 7, 2021
7MGR
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BU of 7mgr by Molmil
SARS-CoV-2 main protease in complex with nsp8/9 substrate peptide
分子名称: 3C-like proteinase, ALA-VAL-LYS-LEU-GLN-ASN-ASN-GLU
著者MacDonald, E.A, Windsor, I.W, Hinshaw, S.M.
登録日2021-04-13
公開日2021-06-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Recognition of Divergent Viral Substrates by the SARS-CoV-2 Main Protease.
Acs Infect Dis., 7, 2021
7O7F
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BU of 7o7f by Molmil
Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist
分子名称: C-C chemokine receptor type 5, C-C motif chemokine 5, Fab antibody fragment heavy chain, ...
著者Isaikina, P, Tsai, C.-J, Dietz, N.B, Pamula, F, Goldie, K.N, Schertler, G.F.X, Maier, T, Stahlberg, H, Deupi, X, Grzesiek, S.
登録日2021-04-13
公開日2021-06-30
最終更新日2022-03-16
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Structural basis of the activation of the CC chemokine receptor 5 by a chemokine agonist.
Sci Adv, 7, 2021
7MF1
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1
分子名称: 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, 47D1 Fab heavy chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2021-04-08
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.092 Å)
主引用文献Diverse immunoglobulin gene usage and convergent epitope targeting in neutralizing antibody responses to SARS-CoV-2.
Cell Rep, 35, 2021
7ME0
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BU of 7me0 by Molmil
Cryo-EM structure of SARS-CoV-2 NSP15 NendoU at pH 6.0
分子名称: Uridylate-specific endoribonuclease
著者Godoy, A.S, Song, Y, Nakamura, A.M, Noske, G.D, Gawriljuk, V.O, Fernandes, R.S, Oliva, G.
登録日2021-04-06
公開日2021-04-14
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.48 Å)
主引用文献Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 2023
7O46
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BU of 7o46 by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17
分子名称: 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5
著者Talibov, V.O.
登録日2021-04-05
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
7EK6
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BU of 7ek6 by Molmil
Structure of viral peptides IPB19/N52
分子名称: Spike protein S2
著者Yu, D, Qin, B, Cui, S, He, Y.
登録日2021-04-04
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.243 Å)
主引用文献Structure-based design and characterization of novel fusion-inhibitory lipopeptides against SARS-CoV-2 and emerging variants.
Emerg Microbes Infect, 10, 2021
7EK0
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BU of 7ek0 by Molmil
Complex Structure of antibody BD-503 and RBD-N501Y of COVID-19
分子名称: Heavy Chain of BD-503, Light Chain of BD-503, Spike protein S1
著者Xu, H, Wang, B, Zhao, T.N, Su, X.D.
登録日2021-04-03
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
7EJZ
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BU of 7ejz by Molmil
Complex Structure of antibody BD-503 and RBD-S477N of COVID-19
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ...
著者Xu, H, Wang, B, Zhao, T.N, Su, X.D.
登録日2021-04-03
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.63 Å)
主引用文献Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
7EJY
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BU of 7ejy by Molmil
Complex Structure of antibody BD-503 and RBD of COVID-19
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ...
著者Xu, H, Wang, B, Zhao, T.N, Su, X.D.
登録日2021-04-03
公開日2022-04-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
7MBI
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BU of 7mbi by Molmil
Structure of SARS-CoV2 3CL protease covalently bound to peptidomimetic inhibitor
分子名称: 2,4,6-trimethylpyridine-3-carboxylic acid, 3C-like proteinase, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
著者Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
登録日2021-03-31
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Peptidomimetic alpha-Acyloxymethylketone Warheads with Six-Membered Lactam P1 Glutamine Mimic: SARS-CoV-2 3CL Protease Inhibition, Coronavirus Antiviral Activity, and in Vitro Biological Stability.
J.Med.Chem., 65, 2022
7MBG
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BU of 7mbg by Molmil
SARS-CoV-2 Main protease in orthorhombic space group
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Douangamath, A, von Delft, F, Noske, G.D, Nakamura, A.M, Gawriljuk, V.O, Lima, G.M.A, Zeri, A.C.M, Nascimento, A.F.Z, Oliva, G, Godoy, A.S.
登録日2021-03-31
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
J.Mol.Biol., 433, 2021
7MB9
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp10/11 (P6-P1)
分子名称: 3C-like proteinase, ARG-GLU-PRO-MET-LEU-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022

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