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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
8HG0
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BU of 8hg0 by Molmil
Cryo-EM structure of SARS-CoV-2 prototype spike protein receptor-binding domain in complex with white-tailed deer ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2022-11-13
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HTV
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BU of 8htv by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3a
Descriptor: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone, 3C-like proteinase
Authors:Su, H.X, Nie, T.Q, Li, M.J, Xu, Y.C.
Deposit date:2022-12-21
Release date:2023-08-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group.
J.Med.Chem., 66, 2023
8IFY
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BU of 8ify by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 spike protein in complex with white-tailed deer ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2023-02-20
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8IFZ
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BU of 8ifz by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 spike protein receptor-binding domain in complex with white-tailed deer ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Han, P, Meng, Y.M, Qi, J.X.
Deposit date:2023-02-20
Release date:2023-08-30
Last modified:2023-10-25
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8STY
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BU of 8sty by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI60
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STZ
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BU of 8stz by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
Descriptor: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
Authors:Blankenship, L.B, Liu, W.R.
Deposit date:2023-05-11
Release date:2023-08-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8SXR
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BU of 8sxr by Molmil
Crystal structure of SARS-CoV-2 Mpro with C5a
Descriptor: 3C-like proteinase nsp5, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide
Authors:Worrall, L.J, Kenward, C, Lee, J, Strynadka, N.C.J.
Deposit date:2023-05-23
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2.114 Å)
Cite:A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
7U92
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BU of 7u92 by Molmil
SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006a
Descriptor: (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION
Authors:Westberg, M, Fernandez, D, Lin, M.Z.
Deposit date:2022-03-09
Release date:2023-09-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
7Y0O
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BU of 7y0o by Molmil
Interface of SARS-CoV-2 WT Spike in complex with R15 Fab and P14 Nanobody
Descriptor: P14 nanobody, Spike protein S1, heavy chain of R15, ...
Authors:Wang, L.
Deposit date:2022-06-05
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:SARS-CoV-2 WT Spike in complex with R15 Fab and P14 Nanobody
To Be Published
7YBK
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BU of 7ybk by Molmil
SARS-CoV-2 B.1.620 variant spike (open 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X, Fu, W.
Deposit date:2022-06-29
Release date:2023-09-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
7YLB
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BU of 7ylb by Molmil
Two monobodies recognizing the conserved epitopes of SARS-CoV-2 N antigen applicable to the broad COVID-19 diagnosis
Descriptor: NC2, Nucleoprotein, SULFATE ION
Authors:Hu, M, Du, Y, Sun, R, Hao, Q.
Deposit date:2022-07-26
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Two monobodies recognizing the conserved epitopes of SARS-CoV-2 N antigen applicable to the broad COVID-19 diagnosis
To Be Published
8GSB
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BU of 8gsb by Molmil
SARS-COV-2 BA.1 Spike incomplex with VacBB-665
Descriptor: Light chain of VacBB-665, Spike protein S1, heavy chain of VacBB-665
Authors:Liu, C.C, Ju, B, Shen, S.L, Zhang, Z.
Deposit date:2022-09-05
Release date:2023-09-06
Method:ELECTRON MICROSCOPY (3.99 Å)
Cite:Complex of SARS-COV-2 spike BA.1 and VacBB-665
To Be Published
7XY3
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BU of 7xy3 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with VHH14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VHH14
Authors:Cao, D, Fan, X, Zhang, X.
Deposit date:2022-05-31
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Identification of nano-abzymes to catalyze the spike-trimer of SARS-CoV-2
To Be Published
7XY4
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BU of 7xy4 by Molmil
Cryo-EM structure of SARS-CoV-2 spike in complex with VHH21
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VHH21
Authors:Cao, D, Fan, X, Zhang, X.
Deposit date:2022-05-31
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Identification of nano-abzymes to catalyze the spike-trimer of SARS-CoV-2
To Be Published
7Y0N
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BU of 7y0n by Molmil
SARS-CoV-2 WT Spike in complex with R15 Fab and P14 Nanobody
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 R15-F7, ...
Authors:Wang, L.
Deposit date:2022-06-05
Release date:2023-09-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:SARS-CoV-2 WT Spike in complex with R15 Fab and P14 Nanobody
To Be Published
8AZC
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BU of 8azc by Molmil
Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, Papain-like protease nsp3
Authors:Sander, S, Tidow, H, Fliegert, R, Sandmann, M.
Deposit date:2022-09-05
Release date:2023-09-13
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
To Be Published
8AZD
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BU of 8azd by Molmil
Structure of SARS-CoV-2 NSP3 macrodomain in complex with ADPR
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Papain-like protease nsp3
Authors:Sander, S, Tidow, H, Fliegert, R, Sandmann, M.
Deposit date:2022-09-05
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of SARS-CoV-2 NSP3 macrodomain in the apo form
To Be Published
8F0I
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BU of 8f0i by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody COVA309-22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA309-22 heavy chain, COVA309-22 light chain, ...
Authors:Yuan, M, Wilson, I.A.
Deposit date:2022-11-03
Release date:2023-09-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Broad SARS-CoV-2 neutralization by monoclonal and bispecific antibodies derived from a Gamma-infected individual.
Iscience, 26, 2023
8GTV
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BU of 8gtv by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-07
Descriptor: 3C-like proteinase, 4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one
Authors:Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2022-09-08
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of novel inhibitors against SARS-CoV-2 3CLpro
To Be Published
8GTW
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BU of 8gtw by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound JZD-26
Descriptor: (2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide, 3C-like proteinase
Authors:Su, H.X, Nie, T.Q, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2022-09-08
Release date:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of novel inhibitors against SARS-CoV-2 3CLpro
To Be Published
8U2X
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BU of 8u2x by Molmil
Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2 (H235A mutant)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Uridylate-specific endoribonuclease nsp15
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2023-09-06
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2 (H235A mutant)
To be published
7YR4
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BU of 7yr4 by Molmil
SARS-CoV-2 BA.2.75 S Trimer in complex with ACE2(interface)
Descriptor: Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Wang, L.
Deposit date:2022-08-08
Release date:2023-09-20
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:BA.2.75 in complex with ACE2
To Be Published
8CQ1
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BU of 8cq1 by Molmil
Stem-Loop 4 of the 5'-UTR of the SARS-CoV2 genomic RNA
Descriptor: 5_SL4
Authors:Duchardt-Ferner, E, Voegele, J.
Deposit date:2023-03-03
Release date:2023-09-20
Last modified:2023-11-22
Method:SOLUTION NMR
Cite:High-resolution structure of stem-loop 4 from the 5'-UTR of SARS-CoV-2 solved by solution state NMR.
Nucleic Acids Res., 51, 2023
8EDF
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BU of 8edf by Molmil
Bovine Fab SKD in complex with Sars COV-2 receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SKD Fab Light chain, SKD Fab heavy chain, ...
Authors:Stanfield, R.L, Wilson, I.A.
Deposit date:2022-09-04
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The smallest functional antibody fragment: Ultralong CDR H3 antibody knob regions potently neutralize SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GVD
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BU of 8gvd by Molmil
SARS-CoV-2 Mpro in complex with D-4-38
Descriptor: 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, 3C-like proteinase nsp5
Authors:Liu, M, Huang, H.
Deposit date:2022-09-14
Release date:2023-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:SARS-CoV-2 Mpro in complex with D-4-38
To Be Published

222415

數據於2024-07-10公開中

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