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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
所有结构 (5197)代表性结构 (2266)最新条目 (44)
7HDL
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BU of 7hdl by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003731
Descriptor: 2-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-2,3-dihydro-1H-inden-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 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
7HDM
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BU of 7hdm by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003732
Descriptor: (4S)-4-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-D-proline, 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 (1.02 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
7HDN
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BU of 7hdn by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003734
Descriptor: (2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butane-1,4-diol, 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 (1.03 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
7HDO
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BU of 7hdo by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003637
Descriptor: (2S)-4,4,4-trifluoro-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-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 (1.03 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
7HDP
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BU of 7hdp by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003638
Descriptor: (2S)-2-cyclobutyl-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 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
7HDQ
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BU of 7hdq by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003639
Descriptor: (1S,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-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 (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
7HDR
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BU of 7hdr by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003640
Descriptor: (2R)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(4-fluorophenyl)-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 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
7HDS
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BU of 7hds by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003641
Descriptor: (2S)-3-cyclobutyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]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
7HDT
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BU of 7hdt by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003642
Descriptor: (1S,3S)-1-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butane-1,4-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
7HDU
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BU of 7hdu by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003643
Descriptor: (2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-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 (1.01 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
7HDV
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BU of 7hdv by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003644
Descriptor: (2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pent-4-yn-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 (0.98 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
7HDW
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BU of 7hdw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003646
Descriptor: (3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-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 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
7HDX
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BU of 7hdx by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003648
Descriptor: (2S)-4,4-dimethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pentan-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 (1.08 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
7HDY
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BU of 7hdy by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003650
Descriptor: (2R)-3-(1H-indol-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(1H-indol-3-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-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 (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
7HDZ
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BU of 7hdz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003651
Descriptor: (2S)-2-cyclopropyl-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 (1.04 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
7HE0
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BU of 7he0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003652
Descriptor: (R)-phenyl[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol, 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 (0.98 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
7HE1
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BU of 7he1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003655
Descriptor: Non-structural protein 3, [(2S,3S)-3-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-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 (1.04 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
7HE2
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BU of 7he2 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003656
Descriptor: DIMETHYL SULFOXIDE, Non-structural protein 3, [(2R,4R)-4-methoxy-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
7HE3
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BU of 7he3 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003657
Descriptor: (2S)-3-(1-methyl-1H-pyrazol-4-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]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 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
7HE4
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BU of 7he4 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003658
Descriptor: (2S)-3-(1,3-dioxolan-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]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 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
7HE5
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BU of 7he5 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003659
Descriptor: (2R)-2-(furan-2-yl)-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
7HE6
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BU of 7he6 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003660
Descriptor: (2S)-3-[(2R)-oxolan-2-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]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 (1.07 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
7HE7
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BU of 7he7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003662
Descriptor: (2S)-3-cyclopropyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]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 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
7HE8
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BU of 7he8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003664
Descriptor: (3aR,6S,6aS)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)octahydrocyclopenta[b]pyrrol-6-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 (1.02 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
7HE9
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BU of 7he9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003665
Descriptor: (2S)-3-[(3S)-oxolan-3-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-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 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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