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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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
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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
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10KZ
 | | N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors | | Descriptor: | (3'R)-1'-(1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one, Plasma kallikrein | | Authors: | Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, He, J, Hruza, A, Rearden, P, Tatosian, D.A, Lin, K, Esmay, J, Yang, S, Cheng, A, Ellsworth, K, Piou, T, Fier, P, Hicks, J, Sinz, C, Ogawa, A. | | Deposit date: | 2026-01-26 | | Release date: | 2026-03-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | N-Alkyl and N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors
Acs Med.Chem.Lett., 2026
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10LR
 | | N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable PlasmaKallikrein Inhibitors complex with Compound 4 ((3'R)-1'-(5-amino-1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one) | | Descriptor: | (3'R)-1'-(5-amino-1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, He, J, Hruza, A, Rearden, P, Tatosian, D.A, Lin, K, Esmay, J, Yang, S, Cheng, A, Ellsworth, K, Piou, T, Fier, P, Hicks, J, Sinz, C, Ogawa, A. | | Deposit date: | 2026-01-27 | | Release date: | 2026-03-11 | | Method: | X-RAY DIFFRACTION (1.583 Å) | | Cite: | N-Alkyl and N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors
Acs Med.Chem.Lett., 2026
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10MW
 | | N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors compound 25 ((3'R)-1'-{(1P)-5-amino-1-[2-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one) | | Descriptor: | (3'R)-1'-{(1P)-5-amino-1-[2-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, Je, J, Hruza, A, Rearden, P, Tatosian, D.A, Lin, K, Esmay, J, Yang, S, Cheng, A, Ellsworth, K, Poiou, T, Fier, P, Hicks, J, Sinz, C, Ogawa, A. | | Deposit date: | 2026-01-28 | | Release date: | 2026-03-11 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | N-Alkyl and N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors
Acs Med.Chem.Lett., 2026
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10PX
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with benzoxaborole derivative of azithromycin (AZI-BB2), mRNA, aminoacylated A-site Phe-tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.45A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Chen, C.-W, Volynkina, I.A, Bortyazh, M.O, Tereshchenkov, A.G, Karakchieva, A.O, Lukianov, D.A, Komarova, E.S, Tupikin, A.E, Skvortsov, D.A, Tevyashova, A.N, Tikhomirov, A.S, Tashlitsky, V.N, Kabilov, M.R, Shchekotikhin, A.E, Dontsova, O.A, Sergiev, P.V, Polikanov, Y.S. | | Deposit date: | 2026-02-01 | | Release date: | 2026-03-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Benzoxaborole-modified azithromycins inhibit translation without inducing ermC expression
To Be Published
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10QS
 | | N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors Compound 13 ((3'R)-1'-{5-amino-1-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one) | | Descriptor: | (3'R)-1'-{5-amino-1-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Plasma kallikrein | | Authors: | Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, He, J, Hruza, A, Rearden, P, Tatosian, D.A, Lin, K, Esmay, J, Yany, S, Cheng, A, Ellsworth, K, Piou, T, Fier, P, Hicks, J, Sinz, C, Ogowa, A. | | Deposit date: | 2026-02-02 | | Release date: | 2026-03-11 | | Method: | X-RAY DIFFRACTION (1.733 Å) | | Cite: | N-Alkyl and N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors
Acs Med.Chem.Lett., 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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