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新型コロナウイルスの構造情報

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コロナウイルス
コロナウイルス, 2020. David S. Goodsell@RCSB PDB による原画を修正

最近、新型コロナウイルス感染症(Novel Coronavirus disease 2019: COVID-19)の拡大が世界中で深刻な問題となっています。早急にこの新型ウイルス(Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2)を理解し有効な薬を開発するため,関連するタンパク質の構造研究は既に始まっています。そして,解明された構造はPDBに登録されていっています。PDBjでは利用者の利便を図るため,新型コロナウイルス特集ページを作成しました。新たなエントリーが毎週水曜日の週次更新で公開されると、同時にこのページにも追加されます。

またこのウイルスのタンパク質に関する解説記事を以下の「今月の分子」ページに掲載しています。

「全エントリー」のタブでは,同じ著者によるグループ登録のエントリーも全て区別し,すべてのPDB IDを省略せず表示しています。 「代表構造」タブには最も分解能の高い代表構造のみを表示しており,アミノ酸配列が100%同じPDBエントリーはリガンドが異なるものも含め除外してあります。 「最新のエントリー」のタブは,今週公開された最も新しいエントリーです。


作成日: 2020-09-03 (最終更新日: more than 1 year ago)2022-09-02
8R6E
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SARS-CoV-2 Nucleocapsid dimerization domain
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Fahoum, J, Wiener, R, Rouvinski, A, Isupov, M.N.
登録日2023-11-22
公開日2024-12-04
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献SARS-CoV-2 Nucleocapsid dimerization domain
To Be Published
8RNE
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BU of 8rne by Molmil
HLA-E*01:03 in complex with SARS-CoV-2 Nsp13 peptide, VMPLSAPTL
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, E alpha chain variant, ...
著者Sun, R, Achour, A, Sala, B.M, Sandalova, T.
登録日2024-01-09
公開日2024-12-04
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Emerging mutation in SARS-CoV-2 facilitates escape from NK cell recognition and associates with enhanced viral fitness.
Plos Pathog., 20, 2024
8RNF
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HLA-E*01:03 in complex with SARS-CoV-2 Omicron Nsp13 peptide, VIPLSAPTL
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, E alpha chain variant, ...
著者Sun, R, Achour, A, Sala, B.M, Sandalova, T.
登録日2024-01-09
公開日2024-12-04
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Emerging mutation in SARS-CoV-2 facilitates escape from NK cell recognition and associates with enhanced viral fitness.
Plos Pathog., 20, 2024
8USZ
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Cryo-EM Structure of Full-Length Spike Protein of Omicron XBB.1.5
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Huynh, K.W, Chang, J.S, Fennell, K.F, Che, Y, Wu, H.
登録日2023-10-30
公開日2024-12-04
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Preclinical characterization of the Omicron XBB.1.5-adapted BNT162b2 COVID-19 vaccine.
Npj Vaccines, 9, 2024
8XKO
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CryoEM structure of compound HNC-1664 bound with RdRP-RNA complex of SARS-CoV-2
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, M, An, L, Hong, Y, Li, S, Zhang, K.
登録日2023-12-23
公開日2024-12-04
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献An adenosine analog shows high antiviral potency against coronavirus and arenavirus mainly through an unusual base pairing mode.
Nat Commun, 15, 2024
8YX2
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BU of 8yx2 by Molmil
Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P4
分子名称: Papain-like protease nsp3, ZINC ION, ~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
著者Lu, Y, Shang, J.
登録日2024-04-02
公開日2024-12-04
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX3
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Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P28
分子名称: Papain-like protease nsp3, ~{N}-[1-(1,2-dihydroacenaphthylen-5-yl)cyclopropyl]-5-[(3~{S})-4-ethyl-3-methyl-piperazin-1-yl]-2-methyl-benzamide
著者Lu, Y, Shang, J.
登録日2024-04-02
公開日2024-12-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX4
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Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P31
分子名称: 2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]-5-[3-(4-methyl-4-oxidanyl-piperidin-1-yl)azetidin-1-yl]benzamide, CADMIUM ION, CHLORIDE ION, ...
著者Lu, Y, Shang, J.
登録日2024-04-02
公開日2024-12-04
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
8YX5
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Crystal Structure of SARS CoV-2 Papain-like Protease PLpro-C111S in Complex with GZNL-P35
分子名称: 5-[(1~{R},5~{S})-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methyl-~{N}-[1-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)cyclopropyl]benzamide, GLYCEROL, Papain-like protease nsp3, ...
著者Lu, Y, Shang, J.
登録日2024-04-02
公開日2024-12-04
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of orally bioavailable SARS-CoV-2 papain-like protease inhibitor as a potential treatment for COVID-19.
Nat Commun, 15, 2024
9B82
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-15
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COVA2-15 antibody heavy chain, COVA2-15 antibody light chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2024-03-28
公開日2024-12-04
最終更新日2025-01-08
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Plant-produced SARS-CoV-2 antibody engineered towards enhanced potency and in vivo efficacy.
Plant Biotechnol J, 23, 2025
9GLV
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BU of 9glv by Molmil
Crystal structure of SARS-CoV-2 Mpro with AB-343.
分子名称: (1S,3S,4S)-N-[(2S)-1-azanylidene-3-[(3S)-5,5-dimethyl-2-oxidanylidene-pyrrolidin-3-yl]propan-2-yl]-2-[(2R)-3-cyclobutyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]-5,5-bis(fluoranyl)-2-azabicyclo[2.2.2]octane-3-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Prasad, A, Blaesse, M, Maskos, K, Steinbacher, S, Konz Makino, D.L.
登録日2024-08-28
公開日2024-12-04
最終更新日2024-12-11
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Biological characterization of AB-343, a novel and potent SARS-CoV-2 M pro inhibitor with pan-coronavirus activity.
Antiviral Res., 232, 2024
9GUD
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SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and theophylline derivative LAS 54570922
分子名称: (3~{S})-3-azanyl-4-[(3~{R},4~{R},6~{S})-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-4-methyl-4,6-bis(oxidanyl)azepan-1-yl]-4-oxidanylidene-butanoic acid, 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, ...
著者Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A.
登録日2024-09-19
公開日2024-12-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structures of SARS-CoV-2 methyltransferase nsp10-16 with Cap0-site binders
To Be Published
9GUY
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BU of 9guy by Molmil
SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and theophylline derivative LAS 54571098
分子名称: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A.
登録日2024-09-20
公開日2024-12-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of SARS-CoV-2 methyltransferase nsp10-16 with Cap0-site binders
To Be Published
9HAK
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Structure of compound 119 bound to SARS-CoV-2 main protease
分子名称: (5~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-~{N}-ethyl-1-thieno[2,3-c]pyridin-4-ylcarbonyl-1,4-diazepane-5-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Mac Sweeney, A, Hazemann, J.
登録日2024-11-04
公開日2024-12-04
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Accelerating the Hit-To-Lead Optimization of a SARS-CoV-2 Mpro Inhibitor Series by Combining High-Throughput Medicinal Chemistry and Computational Simulations.
J.Med.Chem., 68, 2025
8RBY
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BU of 8rby by Molmil
The crystal structure of the SARS-CoV-2 receptor binding domain in complex with the neutralizing nanobody 1.26
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Camel-derived nanobody 1.26, ...
著者Casasnovas, J.M, Fernandez, L.A, Silva, K.
登録日2023-12-05
公開日2024-12-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structure of the SARS-CoV-2 receptor binding domain in complex with the neutralizing nanobody 1.26
To Be Published
8XEF
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BU of 8xef by Molmil
Cocktail GC2050-GC2225
分子名称: GC2050 heavy chain, GC2050 light chain, GC2225 heavy chain, ...
著者Feng, L.L.
登録日2023-12-11
公開日2024-12-11
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.41 Å)
主引用文献XBB.1.5 RBD in complex with GC2050 and GC2225
To Be Published
9CJ6
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BU of 9cj6 by Molmil
Crystal Structure of SARS-CoV-2 N-NTD with part of N-arm complex with ssDNA.
分子名称: DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), Nucleoprotein
著者Maiti, A, Matsuo, H.
登録日2024-07-05
公開日2024-12-11
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Affinity Tag-Free Purification of SARS-CoV-2 N Protein and Its Crystal Structure in Complex with ssDNA.
Biomolecules, 14, 2024
9HJH
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BU of 9hjh by Molmil
Structure of compound 1 bound to SARS-CoV-2 main protease
分子名称: (2~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5-chloranylpyridin-3-yl)carbonyl-~{N}-ethyl-1,4-diazepane-2-carboxamide, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
著者Mac Sweeney, A, Hazemann, J.
登録日2024-11-29
公開日2024-12-11
最終更新日2025-05-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Accelerating the Hit-To-Lead Optimization of a SARS-CoV-2 Mpro Inhibitor Series by Combining High-Throughput Medicinal Chemistry and Computational Simulations.
J.Med.Chem., 68, 2025
8JAP
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BU of 8jap by Molmil
Cryo-EM structure of SARS-CoV-2 WT RBD in complex with W328-6H2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H chain of W328-6H2 Fab region, L chain of W328-6H2 Fab region, ...
著者Nan, X.Y, Li, Y.J.
登録日2023-05-06
公開日2024-12-18
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Cryo-EM structure of SARS-CoV-2 WT RBD in complex with W328-6H2 (local refinement)
To Be Published
8TYK
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BU of 8tyk by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T21I Mutant
分子名称: 3C-like proteinase
著者Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y.
登録日2023-08-25
公開日2024-12-18
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T21I Mutant
To Be Published
8V5V
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BU of 8v5v by Molmil
Structure of a SARS-CoV-2 spike S2 subunit in a pre-fusion, open conformation
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 protein S2,Fibritin, ...
著者Olmedillas, E, Diaz, R, Hastie, K, Ollmann-Saphire, E.
登録日2023-12-01
公開日2024-12-18
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structure of a SARS-CoV-2 spike S2 subunit in a pre-fusion, open conformation
To Be Published
8XRQ
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BU of 8xrq by Molmil
SARS-CoV-2 BA.1 spike RBD in complex bound with VacBB-639
分子名称: Heavy chain of VacBB 639 Fab, Light chain of VacBB 639 Fab, Spike protein S1
著者Liu, C.C, Ju, B, Zhang, Z.
登録日2024-01-08
公開日2024-12-18
最終更新日2025-03-26
実験手法ELECTRON MICROSCOPY (4.19 Å)
主引用文献Rapid clonal expansion and somatic hypermutation contribute to the fate of SARS-CoV-2 broadly neutralizing antibodies.
J Immunol., 214, 2025
9BIH
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BU of 9bih by Molmil
SARS-CoV-2 endoribonuclease Nsp15 bound to dsRNA with 1 nucleotide bulge
分子名称: RNA (34-mer), RNA (35-mer), Uridylate-specific endoribonuclease nsp15
著者Wright, Z.M, Butay, K.J, Krahn, J.M, Borgnia, M.J, Stanley, R.E.
登録日2024-04-23
公開日2024-12-18
最終更新日2025-01-15
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Spontaneous base flipping helps drive Nsp15's preferences in double stranded RNA substrates.
Nat Commun, 16, 2025
8UDF
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BU of 8udf by Molmil
Crystal structure of SARS-CoV-2 3CL protease with inhibitor DEL_7
分子名称: 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-1-(4-fluorophenyl)-4-(methylamino)-4-oxobutan-2-yl]-D-phenylalaninamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Forouhar, F, Liu, H, Zack, A, Iketani, S, Williams, A, Vaz, D.R, Habashi, D.L, Resnick, S.J, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2023-09-28
公開日2024-12-25
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening.
Nat Commun, 16, 2025
8UDJ
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BU of 8udj by Molmil
Crystal structure of SARS-CoV-2 3CL protease with inhibitor DEL_2
分子名称: 2-cyano-D-phenylalanyl-2,4-dichloro-N-[(2S)-4-(methylamino)-4-oxo-1-phenylbutan-2-yl]-D-phenylalaninamide, 3C-like proteinase nsp5
著者Forouhar, F, Liu, H, Zack, A, Iketani, S, Williams, A, Vaz, D.R, Habashi, D.L, Resnick, S.J, Chavez, A, Ho, D.D, Stockwell, B.R.
登録日2023-09-28
公開日2024-12-25
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of small molecule non-covalent coronavirus 3CL protease inhibitors from DNA-encoded chemical library screening.
Nat Commun, 16, 2025

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件を2025-07-09に公開中

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