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)

7HEA

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003666
Descriptor:	(1R)-1-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-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 (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

7HEB

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003667
Descriptor:	(3R)-2-methyl-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pentan-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

7HEC

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003669
Descriptor:	(2S,3R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-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

7HED

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003670
Descriptor:	CHLORIDE ION, 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

7HEE

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003671
Descriptor:	(2S)-3-(dimethylamino)-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 (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

7HEF

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003673
Descriptor:	(2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-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 (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

7HEG

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003674
Descriptor:	(2R)-3-(2-methylphenyl)-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 (1.02 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

7HEH

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003675
Descriptor:	(2R)-3-(3-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, 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

7HEI

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003677
Descriptor:	(2S)-3-(piperidin-1-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

7HEJ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003679
Descriptor:	(2S)-2-[(3R)-oxolan-3-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 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

7HEK

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003681
Descriptor:	Non-structural protein 3, [(1s,4s)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-azabicyclo[2.1.1]hexan-1-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 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

7HEL

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003683
Descriptor:	(2R)-3-(4-methylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(4-methylphenyl)-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 (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

7HEM

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003684
Descriptor:	(2R)-3-(3,4-dimethylphenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(3,4-dimethylphenyl)-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

7HEN

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003685
Descriptor:	CHLORIDE ION, Non-structural protein 3, [(2S)-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

7HEO

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003686
Descriptor:	(2R)-3-(4-iodophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(4-iodophenyl)-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 (1.02 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

7HEP

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003688
Descriptor:	CHLORIDE ION, 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

7HEQ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003690
Descriptor:	(2R)-3-cyclohexyl-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 (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

7HER

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003691
Descriptor:	(2S)-3-cyclopentyl-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 (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

7HES

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003692
Descriptor:	Non-structural protein 3, trifluoroacetic acid, {1-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentyl}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

7HET

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003693
Descriptor:	(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol, (2S)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-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 (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

7HEU

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003695
Descriptor:	2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-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 (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

7HEV

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003696
Descriptor:	(2R)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(pyridin-2-yl)-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 (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

7HEW

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003697
Descriptor:	(2R)-2-methyl-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 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

7HEX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003733
Descriptor:	DIMETHYL SULFOXIDE, Non-structural protein 3, [(2S,5R)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-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 (0.99 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

7HEY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003635
Descriptor:	(2R,3S)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol, (2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol, CHLORIDE ION, ...
Authors:	Correy, G.J, Fraser, J.S.
Deposit date:	2024-08-15
Release date:	2025-06-11
Method:	X-RAY DIFFRACTION (1.02 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

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Displayed results:	25
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