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PDB: 686 件
7FR1
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BU of 7fr1 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1423250928
分子名称: 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR7
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BU of 7fr7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z431872694
分子名称: 6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR8
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BU of 7fr8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890408258 - (R) isomer
分子名称: (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRB
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BU of 7frb by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551426009 - (S) isomer
分子名称: 1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR4
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BU of 7fr4 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A26A - (S) isomer
分子名称: 2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide, DIMETHYL SULFOXIDE, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR3
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BU of 7fr3 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A01A - (S) isomer
分子名称: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRC
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BU of 7frc by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer
分子名称: 3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FRD
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BU of 7frd by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A25A - (S) isomer
分子名称: 3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7FR9
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BU of 7fr9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1367095370
分子名称: N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-10-20
公開日2022-11-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
8E30
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BU of 8e30 by Molmil
E. coli 50S ribosome bound to compound streptogramin A analog 3142
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (1.91 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E36
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E. coli 50S ribosome bound to compound streptogramin A analog 3146
分子名称: 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.38 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E45
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BU of 8e45 by Molmil
E. coli 50S ribosome bound to antibiotic analog SLC17
分子名称: 2-{[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl](methyl)amino}-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide (non-preferred name), 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献SLC collection of antibiotic analogs
To Be Published
8E32
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E. coli 50S ribosome bound to compound streptogramin analogs SA1 and SB1
分子名称: (3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E41
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BU of 8e41 by Molmil
E. coli 50S ribosome bound to tiamulin and VS1
分子名称: 50S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.13 Å)
主引用文献Tiamulin and NPET binders
To Be Published
8E3M
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BU of 8e3m by Molmil
E. coli 50S ribosome bound to L-linker solithromycin conjugate
分子名称: 50S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.25 Å)
主引用文献Solithromycin siderophore conjugates
To Be Published
8E44
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BU of 8e44 by Molmil
E. coli 50S ribosome bound to antibiotic analog SLC09
分子名称: 2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献SLC collection of antibiotic analogs
To Be Published
8E42
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BU of 8e42 by Molmil
E. coli 50S ribosome bound to tiamulin and azithromycin
分子名称: 50S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-17
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Tiamulin and NPET binders
To Be Published
8E35
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BU of 8e35 by Molmil
E. coli 50S ribosome bound to compound SAB002
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E47
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BU of 8e47 by Molmil
E. coli 50S ribosome bound to antibiotic analog SLC26
分子名称: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[(2-{[2-({[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}amino)-2-oxoethyl]sulfanyl}ethyl)(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.32 Å)
主引用文献SLC collection of antibiotic analogs
To Be Published
8E3O
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BU of 8e3o by Molmil
E. coli 50S ribosome bound to solithromycin and VM1
分子名称: (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (1.99 Å)
主引用文献Solithromycin siderophore conjugates
To Be Published
8E3L
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BU of 8e3l by Molmil
E. coli 50S ribosome bound to D-linker solithromycin conjugate
分子名称: (2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide, 50S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-17
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Solithromycin siderophore conjugates
To Be Published
8E49
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BU of 8e49 by Molmil
E. coli 50S ribosome bound to antibiotic analog SLC31
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.05 Å)
主引用文献SLC collection of antibiotic analogs
To Be Published
8E33
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BU of 8e33 by Molmil
E. coli 50S ribosome bound to compound streptogramin analog SAB001
分子名称: 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-16
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (2.23 Å)
主引用文献Potential for clicked streptogramin analogs
To Be Published
8E46
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E. coli 50S ribosome bound to antibiotic analog SLC21
分子名称: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[{[1-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.32 Å)
主引用文献SLC collection of antibiotic analogs
To Be Published
8E43
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E. coli 50S ribosome bound to compound streptogramin A analog 3336
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Seiple, I.B, Fraser, J.S.
登録日2022-08-17
公開日2023-06-28
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.09 Å)
主引用文献Streptogramin A analogs
To Be Published

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件を2024-07-17に公開中

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