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7CM4
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Crystal Structure of COVID-19 virus spike receptor-binding domain complexed with a neutralizing antibody CT-P59
Descriptor: 1,2-ETHANEDIOL, IgG heavy chain, IgG light chain, ...
Authors:Kim, Y.G, Jeong, J.H, Bae, J.S, Lee, J.
Deposit date:2020-07-24
Release date:2021-01-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:A therapeutic neutralizing antibody targeting receptor binding domain of SARS-CoV-2 spike protein.
Nat Commun, 12, 2021
7JIW
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BU of 7jiw by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-23
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
7JIV
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The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530 inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-23
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
7JIT
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BU of 7jit by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495 inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide, ACETATE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-23
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
7JIR
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BU of 7jir by Molmil
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457 inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, ACETATE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Lisnyak, V, Maki, S, Taylor, C, Zhang, Y, Zhou, Z, Azizi, S.A, Jones, K, Kathayat, R, Snyder, S.A, Dickinson, B.C, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-23
Release date:2020-08-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Nat Commun, 12, 2021
6ZSL
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BU of 6zsl by Molmil
Crystal structure of the SARS-CoV-2 helicase at 1.94 Angstrom resolution
Descriptor: PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ZINC ION
Authors:Newman, J.A, Yosaatmadja, Y, Douangamath, A, Arrowsmith, C.H, von Delft, F, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-07-15
Release date:2020-07-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
6ZRT
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Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir
Descriptor: (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, DIMETHYL SULFOXIDE, Main Protease
Authors:Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R.
Deposit date:2020-07-14
Release date:2020-08-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
6XRZ
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The 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome
Descriptor: Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome
Authors: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.
Deposit date:2020-07-14
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.9 Å)
Cite:Cryo-electron Microscopy and Exploratory Antisense Targeting of the 28-kDa Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome.
Biorxiv, 2020
6ZRU
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Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir
Descriptor: DIMETHYL SULFOXIDE, Main Protease, boceprevir (bound form)
Authors:Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R.
Deposit date:2020-07-14
Release date:2020-08-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
7CJM
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BU of 7cjm by Molmil
SARS CoV-2 PLpro in complex with GRL0617
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
Authors:Fu, Z, Huang, H.
Deposit date:2020-07-11
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery.
Nat Commun, 12, 2021
7CJF
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BU of 7cjf by Molmil
Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ...
Authors:Guo, Y, Li, X, Zhang, G, Fu, D, Schweizer, L, Zhang, H, Rao, Z.
Deposit date:2020-07-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:A SARS-CoV-2 neutralizing antibody with extensive Spike binding coverage and modified for optimal therapeutic outcomes.
Nat Commun, 12, 2021
7CJD
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BU of 7cjd by Molmil
Crystal structure of the SARS-CoV-2 PLpro C111S mutant
Descriptor: 1,2-ETHANEDIOL, Non-structural protein 3, ZINC ION
Authors:Gao, X, Cui, S.
Deposit date:2020-07-10
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
6XR3
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BU of 6xr3 by Molmil
X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
Descriptor: 3C-like proteinase, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Authors:Anson, B, Ghosh, A.K, Mesecar, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:X-ray Structure of SARS-CoV-2 main protease bound to GRL-024-20 at 1.45 A
To Be Published
6XQS
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BU of 6xqs by Molmil
Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir
Descriptor: (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
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-07-10
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28, 2020
6XQU
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Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Boceprevir
Descriptor: 3C-like proteinase, boceprevir (bound form)
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-07-10
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28, 2020
6XQT
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Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir
Descriptor: (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
Authors:Kneller, D.W, Kovalevsky, A, Coates, L.
Deposit date:2020-07-10
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28, 2020
6ZOZ
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BU of 6zoz by Molmil
Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Locked State
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
Deposit date:2020-07-08
Release date:2020-07-22
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
6ZP7
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BU of 6zp7 by Molmil
SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up open conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Martinez, M, Marabini, R, Carazo, J.M.
Deposit date:2020-07-08
Release date:2020-07-29
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
6ZP5
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BU of 6zp5 by Molmil
SARS-CoV-2 spike in prefusion state (flexibility analysis, 1-up closed conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Martinez, M, Marabini, R, Carazo, J.M.
Deposit date:2020-07-08
Release date:2020-07-29
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Continuous flexibility analysis of SARS-CoV-2 spike prefusion structures.
Iucrj, 7, 2020
6ZP0
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BU of 6zp0 by Molmil
Structure of SARS-CoV-2 Spike Protein Trimer (single Arg S1/S2 cleavage site) in Closed State
Descriptor: 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
Authors:Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
Deposit date:2020-07-08
Release date:2020-07-22
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
6ZPE
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Nonstructural protein 10 (nsp10) from SARS CoV-2
Descriptor: CHLORIDE ION, GLYCEROL, Replicase polyprotein 1ab, ...
Authors:Fisher, S.Z, Kozielski, F.
Deposit date:2020-07-08
Release date:2020-10-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
6ZOY
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Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x1 disulphide-bond mutant, S383C, D985C, K986P, V987P, single Arg S1/S2 cleavage site) in Closed State
Descriptor: 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
Authors:Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
Deposit date:2020-07-08
Release date:2020-07-22
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
6ZP4
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SARS-CoV-2 Nsp1 bound to a human 43S preinitiation ribosome complex - state 2
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Thoms, M, Buschauer, R, Ameismeier, M, Denk, T, Kratzat, H, Mackens-Kiani, T, Cheng, J, Berninghausen, O, Becker, T, Beckmann, R.
Deposit date:2020-07-08
Release date:2020-07-29
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for translational shutdown and immune evasion by the Nsp1 protein of SARS-CoV-2.
Science, 369, 2020
6ZOX
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Structure of Disulphide-stabilized SARS-CoV-2 Spike Protein Trimer (x2 disulphide-bond mutant, G413C, V987C, single Arg S1/S2 cleavage site)
Descriptor: 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
Authors:Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
Deposit date:2020-07-08
Release date:2020-07-22
Last modified:2021-06-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020
6ZP2
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Structure of SARS-CoV-2 Spike Protein Trimer (K986P, V987P, single Arg S1/S2 cleavage site) in Locked State
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Xiong, X, Qu, K, Scheres, S.H.W, Briggs, J.A.G.
Deposit date:2020-07-08
Release date:2020-07-22
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:A thermostable, closed SARS-CoV-2 spike protein trimer.
Nat.Struct.Mol.Biol., 27, 2020

223532

數據於2024-08-07公開中

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