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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
7MJL
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Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (focused refinement of RBD and Fab ab1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, Fab ab1 Light Chain, ...
Authors:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7MJM
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Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain
Descriptor: 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, ...
Authors:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7MJN
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Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to human ACE2 ectodomain (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
Deposit date:2021-04-20
Release date:2021-05-12
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
7MKL
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SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-38 (three down 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, SARS2-38 Fv heavy chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
7MKM
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SARS-CoV-2 Spike RBD in complex with neutralizing Fab SARS2-38 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, SARS2-38 Fv light chain, ...
Authors:Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-04-24
Release date:2021-05-12
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
7MMO
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LY-CoV1404 neutralizing antibody against SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ...
Authors:Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
Deposit date:2021-04-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.427 Å)
Cite:LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants.
Biorxiv, 2022
7MNG
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Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor VBY-825 (Partial Occupancy)
Descriptor: (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name), 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2021-04-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7MPB
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SARS Coronavirus-2 Main Protease 3CL-pro binding Ascorbate
Descriptor: 3C-like proteinase, ASCORBIC ACID, TRIFLUOROETHANOL
Authors:Pandey, S, Malla, T.N, Stojkovic, E.A, Schmidt, M.
Deposit date:2021-05-04
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Vitamin C inhibits SARS coronavirus-2 main protease essential for viral replication
Biorxiv, 2021
7NKT
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RBD domain of SARS-CoV2 in complex with neutralizing nanobody NM1226
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Ostertag, E, Zocher, G, Stehle, T.
Deposit date:2021-02-18
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:NeutrobodyPlex-monitoring SARS-CoV-2 neutralizing immune responses using nanobodies.
Embo Rep., 22, 2021
7OFS
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BU of 7ofs by Molmil
Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol
Descriptor: 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFT
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Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde
Descriptor: CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ...
Authors:Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7OFU
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Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester
Descriptor: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C.
Deposit date:2021-05-05
Release date:2021-05-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease.
Commun Biol, 5, 2022
7AKD
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Structure of the SARS-CoV-2 spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 47D11 neutralizing antibody heavy chain, ...
Authors:Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J.
Deposit date:2020-09-30
Release date:2021-05-19
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
7C53
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Crystal Structure of SARS-CoV-2 HR1 motif in complex with pan-CoVs inhibitor EK1
Descriptor: CALCIUM ION, Spike protein S2',pan-CoVs inhibitor EK1
Authors:Zhu, Y, Yang, X, Sun, F.
Deposit date:2020-05-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structural and functional basis for pan-CoV fusion inhibitors against SARS-CoV-2 and its variants with preclinical evaluation.
Signal Transduct Target Ther, 6, 2021
7CHO
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BU of 7cho by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-1D2 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-1D2 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.561 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHP
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Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.357 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
Authors:Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
7DIY
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BU of 7diy by Molmil
Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain
Descriptor: MAGNESIUM ION, ZINC ION, nsp10 protein, ...
Authors:Lin, S, Chen, H, Chen, Z.M, Yang, F.L, Ye, F, Zheng, Y, Yang, J, Lin, X, Sun, H.L, Wang, L.L, Wen, A, Cao, Y, Lu, G.W.
Deposit date:2020-11-19
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.693 Å)
Cite:Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-ExoN domain reveals an exoribonuclease with both structural and functional integrity.
Nucleic Acids Res., 49, 2021
7M8J
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BU of 7m8j by Molmil
SARS-CoV-2 S-NTD + Fab CM25
Descriptor: CM25 Fab - Heavy Chain, CM25 Fab - Light Chain, Spike protein S1
Authors:Johnson, N.V, Mclellan, J.S.
Deposit date:2021-03-29
Release date:2021-05-19
Last modified:2021-06-16
Method:ELECTRON MICROSCOPY (3.48 Å)
Cite:Prevalent, protective, and convergent IgG recognition of SARS-CoV-2 non-RBD spike epitopes.
Science, 372, 2021
7MRR
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BU of 7mrr by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Leupeptin
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, LEUPEPTIN
Authors:Andi, B, Kumaran, D, Soares, A.S, Kreitler, D.F, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S.
Deposit date:2021-05-08
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
7E8M
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BU of 7e8m by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
Authors:Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J.
Deposit date:2021-03-02
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species.
Immunity, 54, 2021
7KQB
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BU of 7kqb by Molmil
SARS-CoV-2 spike glycoprotein:Fab 5A6 complex I
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 5A6 heavy chain, Fab 5A6 light chain, ...
Authors:Asarnow, D, Charles, C, Cheng, Y.
Deposit date:2020-11-14
Release date:2021-05-26
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.42 Å)
Cite:Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
7KQE
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BU of 7kqe by Molmil
SARS-CoV-2 spike glycoprotein:Fab 3D11 complex
Descriptor: Fab 3D11 heavy chain, Fab 3D11 light chain, Spike glycoprotein
Authors:Asarnow, D, Charles, C, Cheng, Y.
Deposit date:2020-11-15
Release date:2021-05-26
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
7LYJ
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SARS-CoV-2 frameshifting pseudoknot RNA
Descriptor: IRIDIUM HEXAMMINE ION, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Jones, C.P, Ferre-D'Amare, A.R.
Deposit date:2021-03-07
Release date:2021-05-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal structure of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) frameshifting pseudoknot.
Rna, 28, 2022
7M53
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B6 Fab fragment bound to the SARS-CoV/SARS-CoV-2 spike stem helix peptide
Descriptor: B6 antigen-binding (Fab) fragment heavy chain, B6 antigen-binding (Fab) fragment light chain, GLYCEROL, ...
Authors:Sauer, M.M, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-03-22
Release date:2021-05-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis for broad coronavirus neutralization.
Nat.Struct.Mol.Biol., 28, 2021

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數據於2024-08-14公開中

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