4PLJ
 
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7FAY
 | | Crystal structure of SARS-CoV-2 main protease in complex with (R)-1a | | Descriptor: | (2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide, 3C-like proteinase | | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | | Deposit date: | 2021-07-08 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron.
Nat Microbiol, 7, 2022
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7FAZ
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Y180 | | Descriptor: | (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide, 3C-like proteinase, SODIUM ION | | Authors: | Zeng, R, Quan, B.X, Liu, X.L, Lei, J. | | Deposit date: | 2021-07-08 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An orally available M pro inhibitor is effective against wild-type SARS-CoV-2 and variants including Omicron.
Nat Microbiol, 7, 2022
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4P0W
 | | Human farnesyl diphosphate synthase in complex with Arenarone and zoledronate | | Descriptor: | 2-{[(1S,2R,4aS,8aR)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]methyl}cyclohexa-2,5-diene-1,4-dione, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Liu, Y.L, Oldfield, E. | | Deposit date: | 2014-02-23 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.406 Å) | | Cite: | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4PLK
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7D3I
 | | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | | Authors: | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | | Deposit date: | 2020-09-19 | | Release date: | 2020-10-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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7COM
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | | Descriptor: | 3C-like proteinase, boceprevir (bound form) | | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | | Deposit date: | 2020-08-04 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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7C7P
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | | Deposit date: | 2020-05-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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2JTK
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7Y50
 | | Class I diterpene synthase (CyS) from Streptomyces cattleya | | Descriptor: | Putative glutamate dehydrogenase/leucine dehydrogenase | | Authors: | Xing, B, Ma, M. | | Deposit date: | 2022-06-16 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure Based Mutagenesis of Cattleyene Synthase Leads to the Generation of Rearranged Polycyclic Diterpenes.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7Y87
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7Y88
 | | class I diterpene synthase (CyS-GGPP-Mg2+) from Streptomyces cattleya | | Descriptor: | GERANYLGERANYL DIPHOSPHATE, MAGNESIUM ION, Putative glutamate dehydrogenase/leucine dehydrogenase | | Authors: | Xing, B, Ma, M. | | Deposit date: | 2022-06-23 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal Structure Based Mutagenesis of Cattleyene Synthase Leads to the Generation of Rearranged Polycyclic Diterpenes.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7Z67
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7Z66
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7ZJE
 | | C16-2 | | Descriptor: | Transient receptor potential cation channel subfamily V member 2,Enhanced green fluorescent protein | | Authors: | Zhang, L, Gourdon, P, Zygmunt, P.M. | | Deposit date: | 2022-04-10 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function.
Nat Commun, 13, 2022
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7ZJI
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7ZJG
 | | Probenecid | | Descriptor: | Transient receptor potential cation channel subfamily V member 2 | | Authors: | Zhang, L, Gourdon, P, Zygmunt, P.M. | | Deposit date: | 2022-04-11 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function.
Nat Commun, 13, 2022
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7ZJH
 | | TRPV2-C16+Pro-2 | | Descriptor: | Transient receptor potential cation channel subfamily V member 2 | | Authors: | Zhang, L, Gourdon, P, Zygmunt, P.M. | | Deposit date: | 2022-04-11 | | Release date: | 2023-01-18 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.39 Å) | | Cite: | Cannabinoid non-cannabidiol site modulation of TRPV2 structure and function.
Nat Commun, 13, 2022
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7ZJD
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8WIK
 | | Crystal structure of human FSP1 | | Descriptor: | 6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDE, Ferroptosis suppressor protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Feng, S, Huang, X, Tang, D, Qi, S. | | Deposit date: | 2023-09-24 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of human ferroptosis suppressive protein 1 in complex with flavin adenine dinucleotide and nicotinamide adenine nucleotide.
MedComm (2020), 5, 2024
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7DST
 | | FMDV capsid in complex with M170 Nab | | Descriptor: | M170 Nab, VP1 of O type FMDV capsid, VP2 of O type FMDV capsid, ... | | Authors: | Dong, H, Liu, P. | | Deposit date: | 2021-01-02 | | Release date: | 2021-03-10 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural and molecular basis for foot-and-mouth disease virus neutralization by two potent protective antibodies.
Protein Cell, 13, 2022
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3TFN
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7DSS
 | | Complex of FMDV and M8 Nab | | Descriptor: | M8 Nab, VP1 of O type FMDV capsid, VP2 of O-type FMDV capsid, ... | | Authors: | Dong, H, Liu, P. | | Deposit date: | 2021-01-02 | | Release date: | 2021-03-31 | | Last modified: | 2022-05-25 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural and molecular basis for foot-and-mouth disease virus neutralization by two potent protective antibodies.
Protein Cell, 13, 2022
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3TFV
 | | Crystal structure of dehydrosqualene synthase (crtm) from s. aureus complexed with bph-1154 | | Descriptor: | 5-bromo-2-{[3-(octyloxy)benzyl]sulfanyl}benzoic acid, Dehydrosqualene synthase, MAGNESIUM ION | | Authors: | Lin, F.-Y, Zhang, Y, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2011-08-16 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Dual dehydrosqualene/squalene synthase inhibitors: leads for innate immune system-based therapeutics.
Chemmedchem, 7, 2012
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7DF1
 | | Crystal structure of human CD98 heavy chain extracellular domain in complex with S1-F4 scFv | | Descriptor: | 4F2 cell-surface antigen heavy chain, IGL c2062_light_IGKV4-1_IGKJ5, S1-F4 VH | | Authors: | Liu, X, Ding, J, Sui, J, Tian, X. | | Deposit date: | 2020-11-06 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.806 Å) | | Cite: | An anti-CD98 antibody displaying pH-dependent Fc-mediated tumour-specific activity against multiple cancers in CD98-humanized mice.
Nat Biomed Eng, 2022
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