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8UYS
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BU of 8uys by Molmil
SARS-CoV-2 5' proximal stem-loop 5
分子名称: SARS-CoV-2 RNA SL5 domain.
著者Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
登録日2023-11-14
公開日2023-12-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYJ
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BU of 8uyj by Molmil
BtCoV-HKU5 5' proximal stem-loop 5, conformation 4
分子名称: BtCoV-HKU5 5' proximal stem-loop 5, conformation 4
著者Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
登録日2023-11-13
公開日2023-12-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYL
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BU of 8uyl by Molmil
MERS 5' proximal stem-loop 5, conformation 2
分子名称: MERS 5' proximal stem-loop 5
著者Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
登録日2023-11-13
公開日2023-12-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYM
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BU of 8uym by Molmil
MERS 5' proximal stem-loop 5, conformation 3
分子名称: MERS 5' proximal stem-loop 5
著者Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
登録日2023-11-13
公開日2023-12-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYK
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BU of 8uyk by Molmil
MERS 5' proximal stem-loop 5, conformation 1
分子名称: MERS 5' proximal stem-loop 5
著者Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
登録日2023-11-13
公開日2023-12-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYG
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BU of 8uyg by Molmil
BtCoV-HKU5 5' proximal stem-loop 5, conformation 2
分子名称: RNA (135-MER)
著者Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
登録日2023-11-13
公開日2023-12-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.4 Å)
主引用文献Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYE
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BU of 8uye by Molmil
BtCoV-HKU5 5' proximal stem-loop 5, conformation 1
分子名称: BtCoV-HKU5 5' proximal stem-loop 5
著者Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
登録日2023-11-13
公開日2023-12-06
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8UYP
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BU of 8uyp by Molmil
SARS-CoV-1 5' proximal stem-loop 5
分子名称: SARS-CoV-1 5' proximal stem-loop 5
著者Kretsch, R.C, Xu, L, Zheludev, I.N, Zhou, X, Huang, R, Nye, G, Li, S, Zhang, K, Chiu, W, Das, R.
登録日2023-11-13
公開日2023-12-20
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.1 Å)
主引用文献Tertiary folds of the SL5 RNA from the 5' proximal region of SARS-CoV-2 and related coronaviruses.
Proc.Natl.Acad.Sci.USA, 121, 2024
8X0X
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BU of 8x0x by Molmil
Crystal structure of JE-5C in complex with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of JE-5C Fab, Light chain of JE-5C Fab, ...
著者Mohapatra, A, Chen, X.
登録日2023-11-06
公開日2024-06-05
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8X0Y
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BU of 8x0y by Molmil
Crystal structure of JM-1A in complex with SARS-CoV-2 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Heavy chain of JM-1A Fab, ...
著者Mohapatra, A, Chen, X.
登録日2023-11-06
公開日2024-06-05
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The presence of broadly neutralizing anti-SARS-CoV-2 RBD antibodies elicited by primary series and booster dose of COVID-19 vaccine.
Plos Pathog., 20, 2024
8UVM
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BU of 8uvm by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with covalent inhibitor Jun11313
分子名称: CHLORIDE ION, Papain-like protease nsp3, SULFATE ION, ...
著者Ansari, A, Tan, B, Chopra, A, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-03
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUU
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BU of 8uuu by Molmil
SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUV
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BU of 8uuv by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197
分子名称: CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ...
著者Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUW
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BU of 8uuw by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUY
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BU of 8uuy by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129
分子名称: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8R12
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BU of 8r12 by Molmil
Structure of compound 8 bound to SARS-CoV-2 main protease
分子名称: 2-[[4-(5-chloranylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile, 3C-like proteinase, CHLORIDE ION, ...
著者Mac Sweeney, A, Hazemann, J.
登録日2023-11-01
公開日2024-02-07
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches.
Rsc Med Chem, 15, 2024
8R11
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BU of 8r11 by Molmil
Structure of compound 7 bound to SARS-CoV-2 main protease
分子名称: 1,2-ETHANEDIOL, 1-[(2~{S})-2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(5-methylpyridin-3-yl)ethanone, 3C-like proteinase, ...
著者Mac Sweeney, A, Hazemann, J.
登録日2023-11-01
公開日2024-02-07
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches.
Rsc Med Chem, 15, 2024
8R14
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BU of 8r14 by Molmil
Structure of compound 11 bound to SARS-CoV-2 main protease
分子名称: (5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone, 3C-like proteinase, BROMIDE ION, ...
著者Mac Sweeney, A, Hazemann, J.
登録日2023-11-01
公開日2024-02-07
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.336 Å)
主引用文献Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches.
Rsc Med Chem, 15, 2024
8R16
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BU of 8r16 by Molmil
Structure of compound 12 bound to SARS-CoV-2 main protease
分子名称: 1,2-ETHANEDIOL, 1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone, 3C-like proteinase, ...
著者Mac Sweeney, A, Hazemann, J.
登録日2023-11-01
公開日2024-02-07
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches.
Rsc Med Chem, 15, 2024
8UUG
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BU of 8uug by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUH
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BU of 8uuh by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUF
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BU of 8uuf by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941
分子名称: ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ...
著者Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8WXF
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BU of 8wxf by Molmil
PNPase of Mycobacterium tuberculosis
分子名称: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase
著者Wang, N, Sheng, Y.N, Liu, Y.T.
登録日2023-10-29
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
8WX0
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BU of 8wx0 by Molmil
PNPase of M.tuberculosis with its RNA substrate
分子名称: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase, RNA (24-mer)
著者Wang, N, Sheng, Y.N.
登録日2023-10-27
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024
8WWP
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BU of 8wwp by Molmil
PNPase mutant of Mycobacterium tuberculosis
分子名称: Bifunctional guanosine pentaphosphate synthetase/polyribonucleotide nucleotidyltransferase
著者Wang, N, Sheng, Y.N, Liu, Y.T.
登録日2023-10-26
公開日2024-07-03
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Cryo-EM structures of Mycobacterium tuberculosis polynucleotide phosphorylase suggest a potential mechanism for its RNA substrate degradation.
Arch.Biochem.Biophys., 754, 2024

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件を2024-08-07に公開中

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