5KCQ
 
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5KDA
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5YVL
 | | Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, cyclase | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-11-26 | | Release date: | 2018-11-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.059 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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7DTR
 | | Structure of an AcrIF protein | | Descriptor: | AcrIF24 | | Authors: | Yue, F, Peipei, Y. | | Deposit date: | 2021-01-06 | | Release date: | 2022-01-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Insights into the inhibition of type I-F CRISPR-Cas system by a multifunctional anti-CRISPR protein AcrIF24.
Nat Commun, 13, 2022
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5ZNS
 | | Insect chitin deacetylase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, ... | | Authors: | Liu, L, Zhou, Y, Yang, Q. | | Deposit date: | 2018-04-10 | | Release date: | 2019-02-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.396 Å) | | Cite: | Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
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6K4Y
 | | CryoEM structure of sigma appropriation complex | | Descriptor: | 10 kDa anti-sigma factor, DNA (60-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Shi, J, Wen, A, Feng, Y. | | Deposit date: | 2019-05-27 | | Release date: | 2019-08-07 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.79 Å) | | Cite: | Structural basis of sigma appropriation.
Nucleic Acids Res., 47, 2019
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8IQC
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8IQI
 | | Structure of Full-Length AsfvPrimPol in Complex-Form | | Descriptor: | DNA (32-MER), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Shao, Z.W, Su, S.C, Gan, J.H. | | Deposit date: | 2023-03-16 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
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6WJ1
 | | Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-4H03 heavy chain, ... | | Authors: | Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-04-11 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.503 Å) | | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
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8IQD
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8IQH
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8IQB
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2O7N
 | | CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile | | Descriptor: | 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile, Integrin alpha-L | | Authors: | Sheriff, S. | | Deposit date: | 2006-12-11 | | Release date: | 2007-03-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Design of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold.
Bioorg.Med.Chem.Lett., 17, 2007
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6WJ0
 | | Crystal structure of Fab 54-4H03 | | Descriptor: | Fab 54-4H03 heavy chain, Fab 54-4H03 light chain, GLYCEROL | | Authors: | Wu, N.C, Wilson, I.A. | | Deposit date: | 2020-04-11 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
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3F9E
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8IFP
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1 | | Descriptor: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IFQ
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IFT
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10 | | Descriptor: | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IFS
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 7 | | Descriptor: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IFR
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3 | | Descriptor: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-19 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IGX
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with compound 9 (simnotrelvir, SIM0417, SSD8432) | | Descriptor: | (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5 | | Authors: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-21 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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8IGY
 | | SARS-CoV-2 3CL protease (3CLpro) in complex with nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-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: | Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-02-21 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
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7KSO
 | | Cryo-EM structure of PRC2:EZH1-AEBP2-JARID2 | | Descriptor: | Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ... | | Authors: | Grau, D.J, Armache, K.J. | | Deposit date: | 2020-11-23 | | Release date: | 2021-02-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
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7KSR
 | | PRC2:EZH1_A from a dimeric PRC2 bound to a nucleosome | | Descriptor: | Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ... | | Authors: | Grau, D.J, Armache, K.J. | | Deposit date: | 2020-11-24 | | Release date: | 2021-02-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
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6WW4
 | | Crystal structure of HERC2 ZZ domain in complex with histone H3 tail | | Descriptor: | GLYCEROL, Histone H3.1,E3 ubiquitin-protein ligase HERC2, ZINC ION | | Authors: | Liu, J, Vann, K.R, Kutateladze, T.G. | | Deposit date: | 2020-05-07 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.252 Å) | | Cite: | Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1.
Structure, 28, 2020
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