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COVID-19特辑

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冠状病毒
冠状病毒,2020. 由David S. Goodsell @ RCSB PDB原图修改

最近爆发的新型冠状病毒传染病(Novel Coronavirus disease 2019: COVID-19)对全世界的人们都构成了严重威胁。 为了尽早了解新病毒(Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2)以开发出有效的抗病毒药物,已经有很多科研人員开始了相关蛋白结构的研究,并且将所获得的结构数据存储于PDB。 PDBj为用户提供了COVID-19相关数据一览的门户页面,并将于每周三更新当日新发布的相关数据。

有关该病毒蛋白质的解说,请参见下面的“当月的分子”页面。

“所有结构”标签的页面则逐一罗列了所有的结构数据,包括由同一研究组提交的系列数据群。 “代表性结构”标签的页面精选具有相同氨基酸序列的结构数据中的高分辨率数据,不重复选择具同一氨基酸序列的数据,即使该数据可能包含不同配体。 “最新条目”标签内包含本周新更新数据。


Created: 2020-09-03 (last edited: more than 1 year ago)2020-12-02
7HCW
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BU of 7hcw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0001444
Descriptor: (3R,4S)-4-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]oxolan-3-ol, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCX
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BU of 7hcx by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003571
Descriptor: 1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclobutan-1-ol, CHLORIDE ION, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCY
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BU of 7hcy by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003701
Descriptor: (1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]ethane-1,2-diol, CHLORIDE ION, Non-structural protein 3, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HCZ
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BU of 7hcz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003702
Descriptor: CHLORIDE ION, Non-structural protein 3, [(8R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]methanol, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD0
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BU of 7hd0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003703
Descriptor: (2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-5-yl)propan-1-ol, CHLORIDE ION, Non-structural protein 3, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD1
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BU of 7hd1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003704
Descriptor: Non-structural protein 3, [(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD2
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BU of 7hd2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003705
Descriptor: (2S)-3-(furan-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD3
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BU of 7hd3 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003707
Descriptor: Non-structural protein 3, [(3S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-8-oxa-2-azaspiro[4.5]decan-3-yl]methanol, trifluoroacetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD4
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BU of 7hd4 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003708
Descriptor: Non-structural protein 3, [(3S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-azaspiro[4.4]nonan-3-yl]methanol
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD5
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BU of 7hd5 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003709
Descriptor: (2R)-3-(benzyloxy)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(benzyloxy)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD6
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BU of 7hd6 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0001445
Descriptor: 2-[(2S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol, Non-structural protein 3, trifluoroacetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD7
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BU of 7hd7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003710
Descriptor: Non-structural protein 3, [(6S)-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol, trifluoroacetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD8
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BU of 7hd8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003711
Descriptor: (2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(thiophen-2-yl)propan-1-ol, CHLORIDE ION, Non-structural protein 3, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HD9
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BU of 7hd9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003713
Descriptor: Non-structural protein 3, [(1S,3S,4R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDA
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BU of 7hda by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003715
Descriptor: (2S)-2-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol, CHLORIDE ION, Non-structural protein 3, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDB
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BU of 7hdb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003717
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Non-structural protein 3, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDC
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BU of 7hdc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003718
Descriptor: (1R,2R)-1-(4-chlorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propane-1,3-diol, (1R,2S)-1-(4-chlorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propane-1,3-diol, CHLORIDE ION, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDD
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BU of 7hdd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003719
Descriptor: Non-structural protein 3, [(2R,5S)-5-tert-butyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDE
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BU of 7hde by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003720
Descriptor: Non-structural protein 3, [(2S,3aS,6aS)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydrocyclopenta[b]pyrrol-2-yl]methanol
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDF
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BU of 7hdf by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003721
Descriptor: DIMETHYL SULFOXIDE, Non-structural protein 3, [(2R)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]methanol
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDG
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BU of 7hdg by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003722
Descriptor: Non-structural protein 3, [(2S,4R)-4-tert-butyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDH
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BU of 7hdh by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003726
Descriptor: Non-structural protein 3, [(2R)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol, [(2S)-5,5-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDI
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BU of 7hdi by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003727
Descriptor: Non-structural protein 3, [(3S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-azaspiro[4.5]decan-3-yl]methanol, trifluoroacetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDJ
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BU of 7hdj by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003728
Descriptor: Non-structural protein 3, [(7S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-7-yl]methanol, trifluoroacetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
7HDK
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BU of 7hdk by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003730
Descriptor: (2S,3R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butane-1,3-diol, CHLORIDE ION, Non-structural protein 3, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-15
Release date:2025-06-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025

238582

数据于2025-07-09公开中

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