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COVID-19特輯

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冠狀病毒
冠狀病毒,2020. 由David S. Goodsell @ RCSB PDB原圖修改

最近爆發的新型冠狀病毒傳染病(Novel Coronavirus disease 2019: COVID-19)對全世界的人們都構成了嚴重威脅。 為了儘早了解新病毒(Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2)以開發出有效的抗病毒藥物,已經有很多科研人員開始了相關蛋白結構的研究,並且將所獲得結構數據存儲與PDB。 PDBj為用戶提供了COVID-19相關數據一覽的門戶頁面,並將於每週三更新當日新發佈的相關數據。

有關該病毒蛋白質的解說,請參見下面的“當月的分子”頁面。

“所有結構”標籤的頁面則逐一羅列了所有的數據,包括由同一研究組提交的系列數據群。 “代表性結構”標籤的頁面精選具有相同胺基酸序列的結構數據中的高分辨率數據,不重複選擇具有同一胺基酸序列的數據,即使該數據可能包含不同的配體。 “最新條目”標籤內包含本週新更新數據。


Created: 2020-09-03 (last edited: more than 1 year ago)2022-09-02
8VQX
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Structure of SARS-CoV-2 main protease with potent peptide aldehyde inhibitor
Descriptor: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, ...
Authors:Dougan, D.R, Lane, W.
Deposit date:2024-01-19
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Bioorg.Med.Chem., 103, 2024
9AUJ
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BU of 9auj by Molmil
Structure of SARS-CoV-2 Mpro mutant (S144A) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.486 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUK
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BU of 9auk by Molmil
Structure of SARS-CoV-2 Mpro mutant (A173V) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUL
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BU of 9aul by Molmil
Structure of SARS-CoV-2 Mpro mutant (A173V,T304I)) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.421 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUM
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BU of 9aum by Molmil
Structure of SARS-CoV-2 Mpro mutant (T21I,S144A,T304I) in complex with Nirmatrelvir (PF-07321332)
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (1.539 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUN
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BU of 9aun by Molmil
Structure of SARS-CoV-2 Mpro mutant (T21I,T304I)
Descriptor: 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
9AUO
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BU of 9auo by Molmil
Structure of SARS-CoV-2 Mpro mutant (L50F,T304I)
Descriptor: 3C-like proteinase nsp5
Authors:Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E.
Deposit date:2024-02-29
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2.423 Å)
Cite:In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance.
Sci Adv, 10, 2024
8KDM
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BU of 8kdm by Molmil
Structure of SARS-CoV Spike protein complexed with antibody PW5-5
Descriptor: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-09
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KDR
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BU of 8kdr by Molmil
The local refined map of SARS-CoV-2 XBB Variant Spike protein complexed with antibody PW5-535
Descriptor: PW5-535 heavy chain, PW5-535 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-10
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KDS
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BU of 8kds by Molmil
Trimer state of SARS-CoV Spike protein complexed with antibody PW5-535
Descriptor: PW5-535 heavy chain, PW5-535 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-10
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KEJ
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BU of 8kej by Molmil
Monomer state of SARS-CoV-2 XBB Variant Spike protein trimer complexed with antibody PW5-5
Descriptor: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-11
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KEO
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BU of 8keo by Molmil
Structure of SARS-CoV-2 Omicron BA.1 Spike complexed with antibody PW5-570
Descriptor: PW5-570 heavy chain, PW5-570 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-13
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KEP
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BU of 8kep by Molmil
The local refined map of SARS-CoV-2 Omicron BA.1 Spike complexed with antibody PW5-570
Descriptor: PW5-570 heavy chain, PW5-570 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-13
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KEQ
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BU of 8keq by Molmil
State 1 of SARS-CoV-2 XBB Variant Spike protein trimer complexed with antibody PW5-5
Descriptor: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-13
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8KER
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BU of 8ker by Molmil
Structure of SARS-CoV-2 XBB Variant Spike protein complexed with broadly neutralizing antibody PW5-535
Descriptor: PW5-535 heavy chain, PW5-535 light chain, Spike glycoprotein
Authors:Sun, L, Mao, Q, Wang, Y.
Deposit date:2023-08-13
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024
8TQU
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BU of 8tqu by Molmil
MPI51 bound to Mpro of SARS-CoV-2
Descriptor: 3C-like proteinase nsp5, UAW247
Authors:Blankenship, L.R, Liu, W.R.
Deposit date:2023-08-08
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:MPI51 bound to SARS-CoV-2 Mpro
To Be Published
9FJK
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BU of 9fjk by Molmil
Omicron BA.1 Spike protein with neutralizing NTD specific mAb K501SP6
Descriptor: K501SP6 Fv Heavy Chain, K501SP6 Fv Light Chain, Spike glycoprotein,Fibritin
Authors:Bjoernsson, K.H, Walker, M.R, Raghavan, S.S.R, Ward, A.B, Barfod, L.K.
Deposit date:2024-05-31
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Omicron BA.1 Spike protein with neutralizing NTD specific mAb K501SP6
To Be Published
8UPX
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BU of 8upx by Molmil
Omicron-S-MERS-RBD
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,SARS-CoV-2 omicron spike with MERS RBD
Authors:Bu, F, Li, F, Liu, B.
Deposit date:2023-10-23
Release date:2024-08-21
Last modified:2024-09-25
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Pan-beta-coronavirus subunit vaccine prevents SARS-CoV-2 Omicron, SARS-CoV, and MERS-CoV challenge.
J.Virol., 98, 2024
8YE4
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BU of 8ye4 by Molmil
The complex of TCR NYN-I and HLA-A24 bound to SARS-CoV-2 Spike448-456 peptide NYNYLYRLF
Descriptor: Beta-2-microglobulin, MHC class I antigen precusor, Spike protein S1, ...
Authors:Deng, S.S, Jin, T.C, Xu, Z.H, Wang, M.H.
Deposit date:2024-02-21
Release date:2024-08-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into immune escape at killer T cell epitope by SARS-CoV-2 Spike Y453F variants.
J.Biol.Chem., 300, 2024
8ZHE
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BU of 8zhe by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three R1-26 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-26 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-10
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
8ZHG
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BU of 8zhg by Molmil
SARS-CoV-2 spike trimer (6P) in complex with R1-26 Fab, focused refinement of RBD-Fab region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-26 Fab, Light chain of R1-26 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-10
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
8ZHH
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BU of 8zhh by Molmil
SARS-CoV-2 spike trimer (6P) in complex with two H18 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-10
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (5.55 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
8ZHM
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BU of 8zhm by Molmil
SARS-CoV-2 spike trimer (6P) in complex with three H18 and three R1-32 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
8ZHO
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BU of 8zho by Molmil
SARS-CoV-2 S1 in complex with H18 and R1-32 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H18 Fab, Heavy chain of R1-32 Fab, ...
Authors:Yan, Q, Gao, X, Liu, B, Hou, R, He, P, Li, Z, Chen, Q, Wang, J, He, J, Chen, L, Zhao, J, Xiong, X.
Deposit date:2024-05-11
Release date:2024-08-21
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Antibodies utilizing VL6-57 light chains target a convergent cryptic epitope on SARS-CoV-2 spike protein helping to drive the genesis of Omicron variants
To Be Published
8ZV9
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BU of 8zv9 by Molmil
Complex structure of HLA2402 with recognizing SARS-CoV-2 Y453F epitope NYNYLFRLF
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ...
Authors:Deng, S.S, Jin, T.C, Xu, Z.H, Wang, M.H.
Deposit date:2024-06-11
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into immune escape at killer T cell epitope by SARS-CoV-2 Spike Y453F variants.
J.Biol.Chem., 300, 2024

225399

數據於2024-09-25公開中

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