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PDB: 31 件
5EIW
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BU of 5eiw by Molmil
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2
分子名称: 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, NS5 methyltransferase, S-ADENOSYLMETHIONINE
著者Barral, K, Bricogne, G, Sharff, A.
登録日2015-10-30
公開日2016-10-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.611 Å)
主引用文献Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
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
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
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2024-05-22
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
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
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2024-05-22
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
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
5HMW
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BU of 5hmw by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 5
分子名称: 2,2'-biphenyl-3,5-diyldiacetic 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 (2.15 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
4V0Q
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BU of 4v0q by Molmil
Dengue Virus Full Length NS5 Complexed with SAH
分子名称: ACETATE ION, GLYCEROL, NS5 POLYMERASE, ...
著者Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D.
登録日2014-09-18
公開日2015-01-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication.
Plos Pathog., 11, 2015
6H80
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BU of 6h80 by Molmil
Dengue-RdRp3-inhibitor complex co-crystallisation
分子名称: 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, DI(HYDROXYETHYL)ETHER, Genome polyprotein, ...
著者Talapatra, S.K, Kozielski, F.
登録日2018-07-31
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases.
Biol Open, 8, 2019
4V0R
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BU of 4v0r by Molmil
DENGUE VIRUS FULL LENGTH NS5 COMPLEXED WITH GTP AND SAH
分子名称: FORMIC ACID, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D.
登録日2014-09-18
公開日2015-01-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication.
Plos Pathog., 11, 2015
5HMX
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BU of 5hmx by Molmil
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 10
分子名称: 2,2'-(5-(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 (2.4 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
6H9R
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BU of 6h9r by Molmil
Dengue-RdRp3-inhibitor complex soaking
分子名称: 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, DI(HYDROXYETHYL)ETHER, Genome polyprotein, ...
著者Talapatra, S.K, Kozielski, F.
登録日2018-08-05
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases.
Biol Open, 8, 2019
5I3P
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BU of 5i3p by Molmil
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27
分子名称: 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)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 (2.45 Å)
主引用文献Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
2J7W
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BU of 2j7w by Molmil
Dengue virus NS5 RNA dependent RNA polymerase domain complexed with 3' dGTP
分子名称: DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-TRIPHOSPHATE, POLYPROTEIN, ...
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 (2.6 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
4C11
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BU of 4c11 by Molmil
Dengue virus RNA dependent RNA polymerase with residues from the NS5 linker region
分子名称: DENGUE VIRUS TYPE 3 RNA DEPENDENT RNA POLYMERASE, ZINC ION
著者Lim, S.P, Lescar, J.
登録日2013-08-09
公開日2013-08-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Crystal Structure of the Dengue Virus Ns5 Polymerase Delineates Inter-Domain Amino Acids Residues that Enhance its Thermostability and De Novo Initiation Activities.
J.Biol.Chem., 288, 2013
5DTO
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BU of 5dto by Molmil
Dengue virus full length NS5 complexed with viral Cap 0-RNA and SAH
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, ACETATE ION, MAGNESIUM ION, ...
著者Zhao, Y, Soh, T.S, Lim, S.P, Chung, K.Y, Swaminathan, K, Vasudevan, S.G, Shi, P.-Y, Lescar, J, Luo, D.
登録日2015-09-18
公開日2015-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Molecular basis for specific viral RNA recognition and 2'-O-ribose methylation by the dengue virus nonstructural protein 5 (NS5)
Proc.Natl.Acad.Sci.USA, 112, 2015

 

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