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8IFN
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BU of 8ifn by Molmil
MERS-CoV spike trimer in complex with nanobody VHH-T148
分子名称: Spike glycoprotein, VHH-T148, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Wang, X, Tian, L.
登録日2023-02-19
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures and neutralizing mechanisms of camel nanobodies targeting the receptor-binding domain of MERS-CoV spike glycoprotein
To Be Published
5X7U
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BU of 5x7u by Molmil
Trehalose synthase from Thermobaculum terrenum
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Trehalose synthase
著者Su, J, Wang, F.
登録日2017-02-27
公開日2018-02-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural Characteristics and Function of a New Kind of Thermostable Trehalose Synthase from Thermobaculum terrenum.
J. Agric. Food Chem., 65, 2017
5YVE
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BU of 5yve by Molmil
Crystal structure of human P2X3 receptor in complex with the AF-219 negative allosteric modulator
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide, MAGNESIUM ION, ...
著者Wang, Y, Hattori, M.
登録日2017-11-25
公開日2018-04-04
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Druggable negative allosteric site of P2X3 receptors.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8IKW
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BU of 8ikw by Molmil
A complex structure of PGIP-PG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-polygalacturonase, ...
著者Xiao, Y, Chai, J.
登録日2023-03-01
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献A plant mechanism of hijacking pathogen virulence factors to trigger innate immunity.
Science, 383, 2024
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2020-10-07
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
6JQH
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BU of 6jqh by Molmil
Crystal structure of MaDA
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, MaDA
著者Du, X.X, Lei, X.G.
登録日2019-03-31
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020
5Z1S
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BU of 5z1s by Molmil
Crystal Structure Analysis of the BRD4(1)
分子名称: 1,2-ETHANEDIOL, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日2017-12-28
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
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
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
5Z1R
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BU of 5z1r by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日2017-12-28
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
8JM9
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BU of 8jm9 by Molmil
The cryo-EM structure of insect gustatory receptor Gr43a from Drosophila melanogaster
分子名称: Gustatory receptor for sugar taste 43a
著者Ma, D, Guo, J.
登録日2023-06-04
公開日2024-02-07
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for sugar perception by Drosophila gustatory receptors.
Science, 383, 2024
8JMI
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BU of 8jmi by Molmil
The cryo-EM structure of insect gustatory receptor Gr64a from Drosophila melanogaster in complex with maltose
分子名称: Gustatory receptor for sugar taste 64a, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Ma, D, Guo, J.
登録日2023-06-04
公開日2024-02-07
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Structural basis for sugar perception by Drosophila gustatory receptors.
Science, 383, 2024
8JMA
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BU of 8jma by Molmil
The cryo-EM structure of insect gustatory receptor Gr43a from Drosophila melanogaster in complex with fructose
分子名称: Gustatory receptor for sugar taste 43a, beta-D-fructofuranose
著者Ma, D, Guo, J.
登録日2023-06-04
公開日2024-02-07
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis for sugar perception by Drosophila gustatory receptors.
Science, 383, 2024
8JME
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BU of 8jme by Molmil
The cryo-EM structure of insect gustatory receptor Gr64a from Drosophila melanogaster
分子名称: Gustatory receptor for sugar taste 64a
著者Ma, D, Guo, J.
登録日2023-06-04
公開日2024-02-07
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis for sugar perception by Drosophila gustatory receptors.
Science, 383, 2024
8JMH
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BU of 8jmh by Molmil
The cryo-EM structure of insect gustatory receptor Gr64a from Drosophila melanogaster in complex with sucrose
分子名称: Gustatory receptor for sugar taste 64a, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Ma, D, Guo, J.
登録日2023-06-04
公開日2024-02-07
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis for sugar perception by Drosophila gustatory receptors.
Science, 383, 2024
5Z1T
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BU of 5z1t by Molmil
Crystal Structure Analysis of the BRD4(1)
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
登録日2017-12-28
公開日2019-01-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018
7TTD
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BU of 7ttd by Molmil
Tubulin-RB3_SLD in complex with compound 12e
分子名称: 7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者White, S.W, Yun, M.
登録日2022-02-01
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
7TTF
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BU of 7ttf by Molmil
Tubulin-RB3_SLD in complex with compound 12k
分子名称: 7-methoxy-4-[2-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ...
著者White, S.W, Yun, M.
登録日2022-02-01
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
7TTE
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BU of 7tte by Molmil
Tubulin-RB3_SLD in complex with compound 12j
分子名称: 4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者White, S.W, Yun, M.
登録日2022-02-01
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Pyrimidine Dihydroquinoxalinone Derivatives as Tubulin Colchicine Site-Binding Agents That Displayed Potent Anticancer Activity Both In Vitro and In Vivo.
Acs Pharmacol Transl Sci, 6, 2023
8JGA
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BU of 8jga by Molmil
Cryo-EM structure of Mi3 fused with FKBP
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP1A,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
著者Zhang, H.W, Kang, W, Xue, C.
登録日2023-05-20
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Dynamic Metabolons Using Stimuli-Responsive Protein Cages.
J.Am.Chem.Soc., 146, 2024
8JGC
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BU of 8jgc by Molmil
Cryo-EM structure of Mi3 fused with LOV2
分子名称: LOV domain-containing protein,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
著者Zhang, H.W, Kang, W, Xue, C.
登録日2023-05-20
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Dynamic Metabolons Using Stimuli-Responsive Protein Cages.
J.Am.Chem.Soc., 146, 2024
6PCR
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BU of 6pcr by Molmil
E. coli 50S ribosome bound to compound 40o
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 (2-bromopyridin-4-yl)carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-18
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
6PC5
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BU of 6pc5 by Molmil
E. coli 50S ribosome bound to compounds 46 and VS1
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 (2.7 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PCS
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BU of 6pcs by Molmil
E. coli 50S ribosome bound to compound 40e
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 [4-(trifluoromethyl)phenyl]carbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
著者Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
登録日2019-06-18
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6PCQ
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BU of 6pcq by Molmil
E. coli 50S ribosome bound to VM2
分子名称: (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-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2019-06-18
公開日2020-06-17
最終更新日2020-10-07
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020

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