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
|
|
10IC
 | | Rhesus rotavirus (consensus structure at 4.7 Angstrom resolution from cryo-ET) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | de Sautu, M, Leistner, C, Kirchhausen, T, Jenni, S, Harrison, S.C. | | Deposit date: | 2026-01-21 | | Release date: | 2026-03-04 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Mechanism of membrane perforation in rotavirus cell entry.
Biorxiv, 2026
|
|
10JT
 | | CRYSTAL STRUCTURE OF KIRSTEN RAT SARCOMA G12C COMPLEXED WITH GMPPNP AND COVALENTLY BOUND TO 1-[(2R,3R)-3-{[(7P)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{ [(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d] pyrimidin-4-yl](methyl)amino}-2-methylpyrrolidin-1-yl]-3-(pyrazin-2-yl)propan-1-one | | Descriptor: | 1-[(2R,3R)-3-{[(7P)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl](methyl)amino}-2-methylpyrrolidin-1-yl]-3-(pyrazin-2-yl)propan-1-one, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sheriff, S. | | Deposit date: | 2026-01-22 | | Release date: | 2026-03-04 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | Optimization of Covalent Warhead Trajectory for KRAS G12C Active State Inhibition
To Be Published
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
