COVID-19 featured content

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Coronavirus, 2020. Modified from the original illustration by David S. Goodsell@RCSB PDB

The recent outbreak of the Novel Coronavirus disease (COVID-19) is a serious threat to people all over the world. In order to understand and develop an effective drug against this virus (Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2), structural work on the related proteins has already started and the resultant entries are accumulating in the PDB. PDBj provides a portal page for the COVID-19 related entries for our users. New entries will be added simultaneously with the public release from the wwPDB.

An explanation article covering one of the proteins of this virus is available on the "Molecules of the Month" page below:

The tab "All entries" contains all PDB IDs, in case you want to check all independent entries, including group depositions by the same authors. The "Repr. entries" tab contains only representative PDB entries with the highest resolution, excluding duplicate entries with 100% amino acid sequence identitiy, even if they contain a different ligand. Finally, the "Latest entries" tab contains the latest entries released this week.

Created: 2020-10-28 (last edited: more than 1 year ago)

All entries (5197)Repr. entries (2266)Latest entries (44)

9MRW

Functional Implications of Hexameric Dynamics in SARS-CoV-2 Nsp15
Descriptor:	Uridylate-specific endoribonuclease nsp15
Authors:	Ketawala, G.K, Sonowal, M, Schrag, L, Fromme, R, Botha, S, Fromme, P.
Deposit date:	2025-01-08
Release date:	2025-06-04
Method:	X-RAY DIFFRACTION (3 Å)
Cite:	Functional implications of hexameric dynamics in SARS-CoV-2 Nsp15. Protein Sci., 34, 2025

9MRY

Functional Implications of HexamericDynamics in SARS-CoV-2 Nsp15
Descriptor:	Uridylate-specific endoribonuclease nsp15
Authors:	Ketawala, G.K, Sonowal, M, Schrag, L, Fromme, R, Botha, S, Fromme, P.
Deposit date:	2025-01-09
Release date:	2025-06-04
Method:	X-RAY DIFFRACTION (3 Å)
Cite:	Functional implications of hexameric dynamics in SARS-CoV-2 Nsp15. Protein Sci., 34, 2025

9NWA

Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-277-5Cl
Descriptor:	(1R,2S,5S)-N-{(1S,2S)-1-(5-chloro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:	Bulut, H, Kuwata, N, Hayashi, H, Aoki, H, Das, D, Li, M, Wlodawer, A, Misumi, S, Tamamura, H, Mitsuya, H.
Deposit date:	2025-03-21
Release date:	2025-06-04
Method:	X-RAY DIFFRACTION (1.8 Å)
Cite:	Impact of Single Halogen Atom Substitutions on Potency of Inhibitors Targeting SARS-CoV-2 Main Protease To Be Published

9NWC

Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-276-5Br
Descriptor:	(1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
Authors:	Bulut, H, Kuwata, N, Hayashi, H, Aoki, H, Hattori, S, Li, M, Das, D, Misumi, S, Wlodawer, A, Tamamura, H, Mitsuya, H.
Deposit date:	2025-03-21
Release date:	2025-06-04
Method:	X-RAY DIFFRACTION (1.79 Å)
Cite:	Impact of Single Halogen Atom Substitutions on Potency of Inhibitors Targeting SARS-CoV-2 Main Protease To Be Published

7HCB

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000286
Descriptor:	N-cyclopropyl-5-{[(1-phenyl-1H-tetrazol-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine, 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

7HCC

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000296
Descriptor:	3-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1,3-benzoxazol-2(3H)-one, 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

7HCD

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000303
Descriptor:	(3R,6S)-6-methyl-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)piperidine-3-carboxylic acid, 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

7HCE

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000002
Descriptor:	1-[(1R,6S,8R)-8lambda~4~-thia-7,9-diazatetracyclo[4.3.0.0~1,8~.0~6,8~]nona-2,4-diene-2-sulfonyl]-L-proline, 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 (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

7HCF

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000313
Descriptor:	(2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-phenyl-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

7HCG

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000316
Descriptor:	3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid, 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

7HCH

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000317
Descriptor:	2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]benzoic acid, 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

7HCI

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000321
Descriptor:	7-benzyl-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 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

7HCJ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000328
Descriptor:	(2R)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid, (2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid, 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

7HCK

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000329
Descriptor:	(2S)-6-methyl-N-[(4S)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-2-carboxamide, 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

7HCL

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000341
Descriptor:	2-[2-(6-methyl-4-oxothieno[2,3-d][1,2,3]triazin-3(4H)-yl)ethyl]-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione, 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

7HCM

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000348
Descriptor:	(3R,4R)-1-[2-(hydroxymethyl)-1-methyl-1H-1,3-benzimidazole-5-carbonyl]-4-methylpiperidine-3-carboxylic acid, 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

7HCN

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000288
Descriptor:	(2S)-(3-oxo-1,2-benzothiazol-2(3H)-yl)(phenyl)acetic acid, 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

7HCO

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000291
Descriptor:	4-fluoro-3-({[1-(propan-2-yl)-1H-tetrazol-5-yl]sulfanyl}methyl)-1-benzothiophene-2-carboxylic acid, 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 (0.87 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

7HCP

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000338
Descriptor:	(8R)-6-(7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)-6-azaspiro[4.5]decane-8-carboxylic acid, 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 (0.96 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

7HCQ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000345
Descriptor:	7-methyl-N-[6-(methylamino)pyridin-3-yl]-1-benzothiophene-2-sulfonamide, 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

7HCR

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000611
Descriptor:	(3R)-3-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide, (3S)-3-hydroxy-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide, 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

7HCS

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000609
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 (0.99 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

7HCT

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000612
Descriptor:	(3R)-3-ethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-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 (1.01 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

7HCU

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000616
Descriptor:	(3R,4R)-4-fluoro-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-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 (1.01 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

7HCV

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000610
Descriptor:	(3R,5R)-5-(hydroxymethyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-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

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Displayed results:	25
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