10AD
 
 | | Cryo-EM structure of the human BK channel bound to the agonist NS1619 | | Descriptor: | 3-[2-oxidanyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1~{H}-benzimidazol-2-one, CALCIUM ION, Isoform 5 of Calcium-activated potassium channel subunit alpha-1, ... | | Authors: | Gonzalez-Sanabria, N, Contreras, G.F, Perozo, E, Latorre, R. | | Deposit date: | 2026-01-08 | | Release date: | 2026-02-04 | | Last modified: | 2026-02-11 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | The BK channel-NS1619 agonist complex reveals molecular insights into allosteric activation gating.
Proc.Natl.Acad.Sci.USA, 123, 2026
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13MI
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12860 | | Descriptor: | (furan-2-yl)(thiomorpholin-4-yl)methanone, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MJ
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13647 | | Descriptor: | 2-fluorobenzamide, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MK
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12961 | | Descriptor: | MALONATE ION, N-(2,4-difluorophenyl)-N'-methylthiourea, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13ML
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13431 | | Descriptor: | MALONATE ION, N-[(pyridin-3-yl)methyl]benzenecarbothioamide, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MN
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12338 | | Descriptor: | 4-(piperazin-1-yl)phenol, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MO
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with TD1471 | | Descriptor: | 4-acetylbenzene-1-sulfonamide, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MP
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with TD1452 | | Descriptor: | 3-chlorobenzene-1-sulfonamide, Papain-like protease nsp3, ZINC ION | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MR
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13275 | | Descriptor: | MALONATE ION, N-(2-fluorophenyl)pyridine-3-carboxamide, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MS
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13952 | | Descriptor: | 3-oxo-3-(piperidin-1-yl)propanenitrile, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MU
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with FL0184 | | Descriptor: | 2-methoxy-7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MV
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12895 | | Descriptor: | 1,3-dihydro-2-benzofuran-5-sulfonamide, Papain-like protease nsp3, ZINC ION | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MW
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with PDK0219 | | Descriptor: | (7S)-6-(5-chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MX
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13509 | | Descriptor: | MALONATE ION, N-(2-methylphenyl)morpholine-4-carbothioamide, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MY
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12362 | | Descriptor: | 2,2-dimethyl-N-(pyridin-4-yl)propanamide, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13MZ
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14473 | | Descriptor: | MALONATE ION, N-(2,4-dimethylphenyl)-N'-[(pyridin-4-yl)methyl]thiourea, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13NA
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12973 | | Descriptor: | 3-(1H-pyrrol-1-yl)benzene-1-carbothioamide, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13NB
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14425 | | Descriptor: | N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide, Papain-like protease nsp3, ZINC ION | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13NC
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12597 | | Descriptor: | 6-methyl-2-phenyl-4,5-dihydropyridazin-3(2H)-one, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13ND
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13652 | | Descriptor: | 5-tert-butyl-2,4-dihydro-3H-pyrazol-3-one, Papain-like protease nsp3, ZINC ION | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13NF
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14399 | | Descriptor: | (4S)-4-(prop-2-en-1-yl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one, Papain-like protease nsp3, ZINC ION | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13NH
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13189 | | Descriptor: | N-[(4-fluorophenyl)methyl]-4-oxidanyl-butanamide, Papain-like protease nsp3, ZINC ION | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13NK
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr13409 | | Descriptor: | 3,4-dichlorobenzenesulfonamide, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13NL
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr14367 | | Descriptor: | 2-(2-fluorophenyl)-N-[(1R,3s,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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13NM
 | | PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12910 | | Descriptor: | 3-(phenoxymethyl)aniline, MALONATE ION, Papain-like protease nsp3, ... | | Authors: | Wang, W, Huang, L, Xu, Q, Zhu, Z, Li, M, Zhou, H, Han, T, Zheng, S, Wang, Q, Yu, F. | | Deposit date: | 2025-09-17 | | Release date: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic fragment screening discovers novel micromolar active inhibitors and druggable hotspots of SARS-CoV-2 PL pro.
Int.J.Biol.Macromol., 347, 2026
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