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6LD2
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BU of 6ld2 by Molmil
Zika NS5 polymerase domain
分子名称: (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid, RNA-directed RNA polymerase NS5, ZINC ION
著者El Sahili, A, Lescar, J.
登録日2019-11-20
公開日2020-08-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
6LD1
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BU of 6ld1 by Molmil
Zika NS5 polymerase domain
分子名称: 1,2-ETHANEDIOL, RNA-directed RNA polymerase NS5, ZINC ION
著者El Sahili, A, Lescar, J.
登録日2019-11-20
公開日2020-08-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
6LD4
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BU of 6ld4 by Molmil
Zika NS5 polymerase domain
分子名称: 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, 3-methoxybenzenesulfonamide, RNA-directed RNA polymerase NS5, ...
著者El Sahili, A, Lescar, J.
登録日2019-11-20
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
5JJS
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BU of 5jjs by Molmil
Dengue 3 NS5 protein with compound 27
分子名称: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-{[(1R,3R)-3-methoxycyclohexyl]sulfonyl}benzamide, DI(HYDROXYETHYL)ETHER, ...
著者Lescar, J, El Sahili, A.
登録日2016-04-25
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
4HHJ
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BU of 4hhj by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase
分子名称: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Non-structural protein 5, ...
著者Noble, C.G, Lescar, J.
登録日2012-10-10
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Conformational flexibility of the Dengue virus RNA-dependent RNA polymerase revealed by a complex with an inhibitor
J.Virol., 87, 2013
5WZ3
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BU of 5wz3 by Molmil
Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase(RdRP)
分子名称: NS5 RdRp, ZINC ION
著者Duan, W, Song, H, Qi, J, Shi, Y, Gao, G.F.
登録日2017-01-16
公開日2017-03-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.804 Å)
主引用文献The crystal structure of Zika virus NS5 reveals conserved drug targets.
EMBO J., 36, 2017
8WIM
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BU of 8wim by Molmil
Crystal structure of Jingmen tick virus RNA-dependent RNA polymerase (D307 construct)
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Jingmen tick virus NSP1, ...
著者Wang, X, Jing, X, Deng, F, Gong, P.
登録日2023-09-24
公開日2024-01-17
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A jingmenvirus RNA-dependent RNA polymerase structurally resembles the flavivirus counterpart but with different features at the initiation phase.
Nucleic Acids Res., 52, 2024
2J7U
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BU of 2j7u by Molmil
Dengue virus NS5 RNA dependent RNA polymerase domain
分子名称: CHLORIDE ION, MAGNESIUM ION, RNA DEPENDENT RNA POLYMERASE, ...
著者Yap, T.L, Xu, T, Chen, Y.L, Malet, H, Egloff, M.P, Canard, B, Vasudevan, S.G, Lescar, J.
登録日2006-10-17
公開日2007-03-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Dengue Virus RNA- Dependent RNA Polymerase Catalytic Domain at 1.85 Angstrom Resolution.
J.Virol., 81, 2007
5I3Q
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BU of 5i3q by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29
分子名称: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, Genome polyprotein, ZINC ION
著者Noble, C.G.
登録日2016-02-10
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5U04
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BU of 5u04 by Molmil
Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase
分子名称: PHOSPHATE ION, ZINC ION, Zika Virus NS5 RdRp
著者Godoy, A.S, Lima, G.M.A, Oliveira, K.I.Z, Torres, N.U, Maluf, F.V, Guido, R.V.C, Oliva, G.
登録日2016-11-22
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of Zika virus NS5 RNA-dependent RNA polymerase.
Nat Commun, 8, 2017
6LD5
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BU of 6ld5 by Molmil
Zika NS5 polymerase domain
分子名称: 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, RNA-directed RNA polymerase NS5, ZINC ION, ...
著者El Sahili, A, Lescar, J.
登録日2019-11-20
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
6XD1
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BU of 6xd1 by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-640
分子名称: (2R)-4-(butyl{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}carbamoyl)-1-(2,2-diphenylpropanoyl)piperazine-2-carboxylic acid, RNA-dependent RNA polymerase, ZINC ION
著者Arora, R, Benson, T.E, Liew, C.W, Lescar, J.
登録日2020-06-09
公開日2020-09-23
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Two RNA Tunnel Inhibitors Bind in Highly Conserved Sites in Dengue Virus NS5 Polymerase: Structural and Functional Studies.
J.Virol., 94, 2020
6IZZ
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BU of 6izz by Molmil
The RNA-dependent RNA polymerase domain of dengue 3 NS5, bound with RK-0404678
分子名称: 2-oxo-2H-1,3-benzoxathiol-5-yl acetate, Genome polyprotein, ZINC ION
著者Shimizu, H, Sekine, S.
登録日2018-12-20
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of a small molecule inhibitor targeting dengue virus NS5 RNA-dependent RNA polymerase.
Plos Negl Trop Dis, 13, 2019
5HMZ
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BU of 5hmz by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23
分子名称: 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide, RNA-directed RNA polymerase NS5, ZINC ION
著者Noble, C.G.
登録日2016-01-17
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design
J.Med.Chem., 59, 2016
5JJR
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BU of 5jjr by Molmil
Dengue 3 NS5 protein with compound 29
分子名称: 1,2-ETHANEDIOL, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-4-methoxy-2-methyl-N-[(quinolin-8-yl)sulfonyl]benzamide, DI(HYDROXYETHYL)ETHER, ...
著者Lescar, J, El Sahili, A.
登録日2016-04-25
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
5F3Z
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BU of 5f3z by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to PC-79-SH52
分子名称: 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, Genome polyprotein, ZINC ION
著者Noble, C.G.
登録日2015-12-03
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening
J.Biol.Chem., 291, 2016
5F41
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BU of 5f41 by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO FD-83-KI26
分子名称: 2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid, Genome polyprotein, ZINC ION
著者Noble, C.G.
登録日2015-12-03
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening
J.Biol.Chem., 291, 2016
5K5M
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BU of 5k5m by Molmil
Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, RNA Dependent RNA Polymerase, ...
著者Arora, R, Benson, T.E.
登録日2016-05-23
公開日2016-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling.
Plos Pathog., 12, 2016
6XD0
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BU of 6xd0 by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-434
分子名称: 2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Arora, R, Benson, T.E, Liew, C.W, Lescar, J.
登録日2020-06-09
公開日2020-09-23
最終更新日2021-10-06
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献Two RNA Tunnel Inhibitors Bind in Highly Conserved Sites in Dengue Virus NS5 Polymerase: Structural and Functional Studies.
J.Virol., 94, 2020
5F3T
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BU of 5f3t by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to JF-31-MG46
分子名称: 2-(4-methoxy-3-phenyl-phenyl)ethanoic acid, RNA-DEPENDENT RNA POLYMERASE, ZINC ION
著者Noble, C.G.
登録日2015-12-03
公開日2016-02-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening.
J.Biol.Chem., 291, 2016
5HN0
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BU of 5hn0 by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 4
分子名称: (6-hydroxybiphenyl-3-yl)acetic acid, RNA-directed RNA polymerase NS5, ZINC ION
著者Noble, C.G.
登録日2016-01-17
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design.
J.Med.Chem., 59, 2016
8WIL
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BU of 8wil by Molmil
Crystal structure of Jingmen tick virus RNA-dependent RNA polymerase (D55 construct)
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Jingmen tick virus NSP1, ...
著者Wang, X, Jing, X, Deng, F, Gong, P.
登録日2023-09-24
公開日2024-01-17
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A jingmenvirus RNA-dependent RNA polymerase structurally resembles the flavivirus counterpart but with different features at the initiation phase.
Nucleic Acids Res., 52, 2024
5HMY
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BU of 5hmy by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 15
分子名称: 2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION
著者Noble, C.G.
登録日2016-01-17
公開日2016-03-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design.
J.Med.Chem., 59, 2016
3VWS
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BU of 3vws by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-107
分子名称: 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, Non-structural protein 5, ...
著者Noble, C.G, Lescar, J.
登録日2012-08-31
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational flexibility of the Dengue virus RNA-dependent RNA polymerase revealed by a complex with an inhibitor
J.Virol., 87, 2013
6IZY
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BU of 6izy by Molmil
The RNA-dependent RNA polymerase domain of dengue 2 NS5
分子名称: COBALT (II) ION, Genome polyprotein, ZINC ION
著者Shimizu, H, Sekine, S.
登録日2018-12-20
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of a small molecule inhibitor targeting dengue virus NS5 RNA-dependent RNA polymerase.
Plos Negl Trop Dis, 13, 2019

 

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