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5RU7
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BU of 5ru7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000003591110
分子名称: 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RUM
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BU of 5rum by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000008861082
分子名称: 3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RV3
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BU of 5rv3 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000057162
分子名称: (5-methoxy-1H-indol-3-yl)acetic acid, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RVM
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BU of 5rvm by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000157088
分子名称: 4-HYDROXYBENZAMIDE, Non-structural protein 3
著者Correy, G.C, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-10-02
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
8CGJ
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BU of 8cgj by Molmil
Streptomycin bound to the 30S body
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S16, ...
著者Paternoga, H, Crowe-McAuliffe, C, Beckert, B, Wilson, D.N.
登録日2023-02-05
公開日2023-07-26
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (1.79 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CGU
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BU of 8cgu by Molmil
Gentamicin bound to the 30S body
分子名称: (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 16S rRNA, 23S rRNA, ...
著者Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
登録日2023-02-06
公開日2023-07-26
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (1.89 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CGR
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BU of 8cgr by Molmil
Apramycin bound to the 30S body
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S16, ...
著者Paternoga, H, Koller, T.O, Beckert, B, Wilson, D.N.
登録日2023-02-06
公開日2023-07-26
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.12 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CAM
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BU of 8cam by Molmil
Evernimicin bound to the 50S subunit
分子名称: 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ...
著者Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
登録日2023-01-24
公開日2023-07-26
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.86 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CA7
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BU of 8ca7 by Molmil
Omadacycline and spectinomycin bound to the 30S ribosomal subunit head
分子名称: 16S rRNA, 30S ribosomal protein S7, MAGNESIUM ION, ...
著者Paternoga, H, Crowe-McAuliffe, C, Wilson, D.N.
登録日2023-01-24
公開日2023-08-02
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (2.06 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CGV
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BU of 8cgv by Molmil
Tiamulin bound to the 50S subunit
分子名称: 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ...
著者Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
登録日2023-02-06
公開日2023-08-02
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.66 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CF8
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BU of 8cf8 by Molmil
Eravacycline bound to the 30S head
分子名称: 16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S7, ...
著者Paternoga, H, Koller, T.O, Beckert, B, Wilson, D.N.
登録日2023-02-03
公開日2023-08-02
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CEP
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BU of 8cep by Molmil
Kasugamycin bound to the 30S body
分子名称: (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE, 16S rRNA, 23S rRNA, ...
著者Paternoga, H, Beckert, B, Wilson, D.N.
登録日2023-02-02
公開日2023-07-19
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.04 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CAI
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BU of 8cai by Molmil
Streptomycin and Hygromycin B bound to the 30S body
分子名称: 16S rRNA, 30S ribosomal protein S16, 30S ribosomal protein S2, ...
著者Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
登録日2023-01-24
公開日2023-07-26
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (2.08 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CAZ
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BU of 8caz by Molmil
empty 30S head
分子名称: 16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S7, ...
著者Paternoga, H, Beckert, B, Wilson, D.N.
登録日2023-01-24
公開日2023-07-26
最終更新日2023-09-20
実験手法ELECTRON MICROSCOPY (2.11 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CGI
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BU of 8cgi by Molmil
Pentacycline TP038 bound to the 30S head
分子名称: 16S rRNA, 30S ribosomal protein S7, Large ribosomal subunit protein bL31A, ...
著者Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N.
登録日2023-02-04
公開日2023-07-26
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (1.89 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CGK
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BU of 8cgk by Molmil
Lincomycin and Avilamycin bound to the 50S subunit
分子名称: (2R,3S,4R,6S)-4-hydroxy-6-{[(2R,3aR,4R,4'R,5'S,6S,6'R,7aR)-4'-hydroxy-6-{[(2S,3R,4R,5S,6R)-3-hydroxy-2-{[(2R,3S,4S,5S,6S)-4-hydroxy-6-({(2R,3aS,3a'R,6S,6'R,7R,7'R,7aR,7a'R)-7'-hydroxy-7'-[(1S)-1-hydroxyethyl]-6'-methyl-7-[(2-methylpropanoyl)oxy]octahydro-4H-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-6-yl}oxy)-5-methoxy-2-(methoxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-methoxy-6-methyltetrahydro-2H-pyran-4-yl]oxy}-4,6',7a-trimethyloctahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-5'-yl]oxy}-2-methyltetrahydro-2H-pyran-3-yl 3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoate (non-preferred name), 23S rRNA, 50S ribosomal protein L15, ...
著者Paternoga, H, Crowe-McAuliffe, C, Beckert, B, Wilson, D.N.
登録日2023-02-05
公開日2023-07-19
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.64 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CGD
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BU of 8cgd by Molmil
Clindamycin bound to the 50S subunit
分子名称: 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ...
著者Paternoga, H, Koller, T.O, Beckert, B, Wilson, D.N.
登録日2023-02-03
公開日2023-07-26
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.98 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CF1
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BU of 8cf1 by Molmil
Tetracycline bound to the 30S head
分子名称: 16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S7, ...
著者Paternoga, H, Crowe-McAuliffe, C, Beckert, B, Wilson, D.N.
登録日2023-02-02
公開日2023-07-26
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (1.82 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
8CEU
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BU of 8ceu by Molmil
Retapamulin and Capreomycin bound to the 50S subunit
分子名称: 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ...
著者Paternoga, H, Beckert, B, Wilson, D.N.
登録日2023-02-02
公開日2023-07-26
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (1.83 Å)
主引用文献Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
5RSK
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BU of 5rsk by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000901381520_N3
分子名称: 3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RSZ
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BU of 5rsz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000004218283
分子名称: 1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RTE
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BU of 5rte by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000013283576
分子名称: 4-(1H-imidazol-2-yl)pyridine, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RTV
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BU of 5rtv by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000001698894
分子名称: 3-hydroxy-2-methylbenzoic acid, DIMETHYL SULFOXIDE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RUS
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BU of 5rus by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388081
分子名称: HISTAMINE, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
5RV9
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BU of 5rv9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000388150
分子名称: 4-tert-butylbenzene-1,2-diol, Non-structural protein 3
著者Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S.
登録日2020-09-28
公開日2020-12-16
最終更新日2022-05-25
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021

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件を2024-07-10に公開中

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