신종 코로나바이러스 특집 콘텐츠

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코로나 바이러스, 2020. David S. Goodsell @ RCSB PDB에 의한 오리지널 일러스트를 수정

신종 코로나바이러스 감염증 (Novel Coronavirus disease 2019:COVID-19)의 확산이 세계적으로 매우 큰 문제가 되고 있습니다. 시급히 새로운 바이러스（Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2）를 이해하고 효과적인 약을 개발하기 위해, 신속하게 구조 생물학 연구가 시작되고 있습니다. PDBj는 사용자의 편의를 도모하기 위해 신종 코로나바이러스의 특집 페이지를 제공하고 있습니다. 매주 수요일에 최신 항목이 추가됩니다.

바이러스 단백질에 관한 해설기사는 아래의 「이달의 분자」 페이지를 참조하십시오.

「전체 엔트리」 탭에는, 모든 PDB ID가 포함되어 있습니다. 이용자가 전체의 독립된 엔트리를 검색하고 싶을 때 사용하실 수 있으며, 동일 저자에 의한 그룹등록의 엔트리도 전부 구별되어 있습니다. 「대표구조」 탭에는, 분해능이 가장 높은 대표구조만을 표지하고 있습니다. 아미노산 서열이 100 % 일치하는 PDB 엔트리의 경우, 다른 리간드를 포함하여도 대표구조에는 제외됩니다. 「최신 엔트리」 탭은, 이번주 공개된 가장 최근의 엔트리 입니다.

Created: 2020-09-03 (last edited: more than 1 year ago)

전체 엔트리 (5197)대표구조 (2266)최신 엔트리 (44)

7HCW

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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