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6PC6
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BU of 6pc6 by Molmil
E. coli 50S ribosome bound to compound 47
分子名称: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-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2019-06-16
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PCH
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BU of 6pch by Molmil
E. coli 50S ribosome bound to compound 21
分子名称: (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-17
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PC7
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BU of 6pc7 by Molmil
E. coli 50S ribosome bound to compound 46
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-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, Fraser, J.S, Seiple, I.B.
登録日2019-06-16
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PC8
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BU of 6pc8 by Molmil
E. coli 50S ribosome bound to compound 40q
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-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, Fraser, J.S, Seiple, I.B.
登録日2019-06-16
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
7Q9N
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BU of 7q9n by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol
分子名称: 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7Q9L
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BU of 7q9l by Molmil
Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol
分子名称: 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol, GLYCEROL, SODIUM ION, ...
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
7Q9O
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BU of 7q9o by Molmil
Complex of Transthyretin with resveratrol exhibits multiple binding modes
分子名称: GLYCEROL, RESVERATROL, SODIUM ION, ...
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2021-11-12
公開日2022-11-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
6X3C
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BU of 6x3c by Molmil
Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F1037 (47)
分子名称: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-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, CHLORIDE ION, MAGNESIUM ION, ...
著者Chaires, H.A, Fraser, J.S.
登録日2020-05-21
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6WYV
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BU of 6wyv by Molmil
E. coli 50S ribosome bound to compounds 47 and VS1
分子名称: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-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2020-05-13
公開日2020-06-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6X3J
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BU of 6x3j by Molmil
Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F0224 (46)
分子名称: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-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, CHLORIDE ION, MAGNESIUM ION, ...
著者Chaires, H.A, Fraser, J.S.
登録日2020-05-21
公開日2020-11-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
5KX8
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BU of 5kx8 by Molmil
Irak4-inhibitor co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Fischmann, T.O.
登録日2016-07-20
公開日2016-08-17
最終更新日2016-08-24
実験手法X-RAY DIFFRACTION (2.671 Å)
主引用文献Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
8AWI
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BU of 8awi by Molmil
Crystal structure of Human Transthyretin at 1.15 Angstrom resolution
分子名称: SODIUM ION, Transthyretin
著者Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A.
登録日2022-08-29
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
5KX7
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BU of 5kx7 by Molmil
Irak4-inhibitor co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-(3-aminocarbonyl-1-methyl-pyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
著者Fischmann, T.O.
登録日2016-07-20
公開日2016-08-17
最終更新日2016-08-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Efforts towards the optimization of a bi-aryl class of potent IRAK4 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
4GMI
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BU of 4gmi by Molmil
BACE-1 in complex with HEA-type macrocyclic inhibitor, MV078571
分子名称: (4S,8E)-4-[(1R)-2-{[2-(5-tert-butyl-1,3-oxazol-2-yl)propan-2-yl]amino}-1-hydroxyethyl]-16-methyl-6-oxa-3-azabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, ACETATE ION, Beta-secretase 1, ...
著者Lindberg, J.D, Derbyshire, D.
登録日2012-08-16
公開日2013-09-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of novel BACE-1 inhibitors
To be Published
5GTC
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BU of 5gtc by Molmil
Crystal structure of complex between DMAP-SH conjugated with a Kaposi's sarcoma herpesvirus LANA peptide (5-15) and nucleosome core particle
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Arimura, Y, Kato, D, Suto, H, Kurumizaka, H, Kawashima, S.A, Yamatsugu, K, Kanai, M.
登録日2016-08-19
公開日2017-06-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Synthetic Posttranslational Modifications: Chemical Catalyst-Driven Regioselective Histone Acylation of Native Chromatin.
J. Am. Chem. Soc., 139, 2017
4YO6
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BU of 4yo6 by Molmil
Irak4-inhibitor co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Fischmann, T.O.
登録日2015-03-11
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation.
Acs Med.Chem.Lett., 6, 2015
4YP8
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BU of 4yp8 by Molmil
Irak4-inhibitor co-structure
分子名称: Interleukin-1 receptor-associated kinase 4, N-{1-(4-cyclopropyl-2-fluorophenyl)-3-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Fischmann, T.O.
登録日2015-03-12
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.641 Å)
主引用文献Potent and Selective Amidopyrazole Inhibitors of IRAK4 That Are Efficacious in a Rodent Model of Inflammation.
Acs Med.Chem.Lett., 6, 2015
8QRN
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BU of 8qrn by Molmil
mt-SSU in GTPBP8 knock-out cells, state 4
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-09
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
8QRM
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BU of 8qrm by Molmil
mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 3
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-09
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
8QU1
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BU of 8qu1 by Molmil
mt-LSU assembly intermediate in GTPBP8 knock-out cells, state 1
分子名称: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-13
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
8QRL
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BU of 8qrl by Molmil
mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 2
分子名称: 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine (m4C) methyltransferase, 28S ribosomal protein S10, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-09
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
8QU5
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BU of 8qu5 by Molmil
mt-LSU assembly intermediate in GTPBP8 knock-out cells, state 2
分子名称: 16S ribosomal RNA, 39S ribosomal protein L10, mitochondrial, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-13
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.42 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
8QRK
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BU of 8qrk by Molmil
mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 1
分子名称: 12S mitochondrial rRNA, 28S ribosomal protein S10, mitochondrial, ...
著者Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M.
登録日2023-10-09
公開日2024-06-26
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (6.69 Å)
主引用文献GTPBP8 plays a role in mitoribosome formation in human mitochondria.
Nat Commun, 15, 2024
4Q9D
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BU of 4q9d by Molmil
X-ray structure of a putative thiamin diphosphate-dependent enzyme isolated from Mycobacterium smegmatis
分子名称: Benzoylformate decarboxylase, FORMIC ACID, MAGNESIUM ION
著者Andrews, F.H, Horton, J.D, Yoon, H.J, Malik, A.M.K, Logsdon, M.G, Shin, D.H, Kneen, M.M, Suh, S.W, McLeish, M.J.
登録日2014-04-30
公開日2015-04-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The kinetic characterization and X-ray structure of a putative benzoylformate decarboxylase from M. smegmatis highlights the difficulties in the functional annotation of ThDP-dependent enzymes.
Biochim.Biophys.Acta, 1854, 2015
4ZTM
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BU of 4ztm by Molmil
Irak4-inhibitor co-structure
分子名称: 5-(1,3-benzothiazol-2-yl)-2-(cyclopropylamino)-6-{[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino}pyrimidin-4(3H)-one, Interleukin-1 receptor-associated kinase 4
著者Fischmann, T.O.
登録日2015-05-14
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors.
Acs Med.Chem.Lett., 6, 2015

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