5EIW
 
 | | DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2 | | Descriptor: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, NS5 methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Barral, K, Bricogne, G, Sharff, A. | | Deposit date: | 2015-10-30 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.611 Å) | | Cite: | Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
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5JJS
 | | Dengue 3 NS5 protein with compound 27 | | Descriptor: | 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, ... | | Authors: | Lescar, J, El Sahili, A. | | Deposit date: | 2016-04-25 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
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4HHJ
 | | Dengue serotype 3 RNA-dependent RNA polymerase | | Descriptor: | DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Non-structural protein 5, ... | | Authors: | Noble, C.G, Lescar, J. | | Deposit date: | 2012-10-10 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Conformational flexibility of the Dengue virus RNA-dependent RNA polymerase revealed by a complex with an inhibitor
J.Virol., 87, 2013
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2J7U
 | | Dengue virus NS5 RNA dependent RNA polymerase domain | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, RNA DEPENDENT RNA POLYMERASE, ... | | Authors: | Yap, T.L, Xu, T, Chen, Y.L, Malet, H, Egloff, M.P, Canard, B, Vasudevan, S.G, Lescar, J. | | Deposit date: | 2006-10-17 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Dengue Virus RNA- Dependent RNA Polymerase Catalytic Domain at 1.85 Angstrom Resolution.
J.Virol., 81, 2007
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5I3Q
 | | DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 29 | | Descriptor: | 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 | | Authors: | Noble, C.G. | | Deposit date: | 2016-02-10 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
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6XD1
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-640 | | Descriptor: | (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 | | Authors: | Arora, R, Benson, T.E, Liew, C.W, Lescar, J. | | Deposit date: | 2020-06-09 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Two RNA Tunnel Inhibitors Bind in Highly Conserved Sites in Dengue Virus NS5 Polymerase: Structural and Functional Studies.
J.Virol., 94, 2020
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5HMZ
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23 | | Descriptor: | 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 | | Authors: | Noble, C.G. | | Deposit date: | 2016-01-17 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 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
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5JJR
 | | Dengue 3 NS5 protein with compound 29 | | Descriptor: | 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, ... | | Authors: | Lescar, J, El Sahili, A. | | Deposit date: | 2016-04-25 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
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5F3Z
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to PC-79-SH52 | | Descriptor: | 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, Genome polyprotein, ZINC ION | | Authors: | Noble, C.G. | | Deposit date: | 2015-12-03 | | Release date: | 2016-02-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening
J.Biol.Chem., 291, 2016
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5F41
 | | DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO FD-83-KI26 | | Descriptor: | 2-(4-methoxy-3-thiophen-3-yl-phenyl)ethanoic acid, Genome polyprotein, ZINC ION | | Authors: | Noble, C.G. | | Deposit date: | 2015-12-03 | | Release date: | 2016-02-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening
J.Biol.Chem., 291, 2016
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6XD0
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-434 | | Descriptor: | 2-[({2-[(2,6-dichlorophenyl)amino]phenyl}acetyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Arora, R, Benson, T.E, Liew, C.W, Lescar, J. | | Deposit date: | 2020-06-09 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.012 Å) | | Cite: | Two RNA Tunnel Inhibitors Bind in Highly Conserved Sites in Dengue Virus NS5 Polymerase: Structural and Functional Studies.
J.Virol., 94, 2020
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5F3T
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to JF-31-MG46 | | Descriptor: | 2-(4-methoxy-3-phenyl-phenyl)ethanoic acid, RNA-DEPENDENT RNA POLYMERASE, ZINC ION | | Authors: | Noble, C.G. | | Deposit date: | 2015-12-03 | | Release date: | 2016-02-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | A Conserved Pocket in the Dengue Virus Polymerase Identified through Fragment-based Screening.
J.Biol.Chem., 291, 2016
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5HN0
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 4 | | Descriptor: | (6-hydroxybiphenyl-3-yl)acetic acid, RNA-directed RNA polymerase NS5, ZINC ION | | Authors: | Noble, C.G. | | Deposit date: | 2016-01-17 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 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
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5HMY
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 15 | | Descriptor: | 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 | | Authors: | Noble, C.G. | | Deposit date: | 2016-01-17 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 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
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3VWS
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to NITD-107 | | Descriptor: | 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, Non-structural protein 5, ... | | Authors: | Noble, C.G, Lescar, J. | | Deposit date: | 2012-08-31 | | Release date: | 2013-02-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational flexibility of the Dengue virus RNA-dependent RNA polymerase revealed by a complex with an inhibitor
J.Virol., 87, 2013
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5HMW
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 5 | | Descriptor: | 2,2'-biphenyl-3,5-diyldiacetic acid, RNA-directed RNA polymerase NS5, ZINC ION | | Authors: | Noble, C.G. | | Deposit date: | 2016-01-17 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | 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
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4V0Q
 | | Dengue Virus Full Length NS5 Complexed with SAH | | Descriptor: | ACETATE ION, GLYCEROL, NS5 POLYMERASE, ... | | Authors: | 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. | | Deposit date: | 2014-09-18 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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6H80
 | | Dengue-RdRp3-inhibitor complex co-crystallisation | | Descriptor: | 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, DI(HYDROXYETHYL)ETHER, Genome polyprotein, ... | | Authors: | Talapatra, S.K, Kozielski, F. | | Deposit date: | 2018-07-31 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases.
Biol Open, 8, 2019
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4V0R
 | | DENGUE VIRUS FULL LENGTH NS5 COMPLEXED WITH GTP AND SAH | | Descriptor: | FORMIC ACID, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | 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. | | Deposit date: | 2014-09-18 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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
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5HMX
 | | Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 10 | | Descriptor: | 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid, RNA-directed RNA polymerase NS5, ZINC ION | | Authors: | Noble, C.G. | | Deposit date: | 2016-01-17 | | Release date: | 2016-03-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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
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6H9R
 | | Dengue-RdRp3-inhibitor complex soaking | | Descriptor: | 2-(4-methoxy-3-thiophen-2-yl-phenyl)ethanoic acid, DI(HYDROXYETHYL)ETHER, Genome polyprotein, ... | | Authors: | Talapatra, S.K, Kozielski, F. | | Deposit date: | 2018-08-05 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Development and validation of RdRp Screen, a crystallization screen for viral RNA-dependent RNA polymerases.
Biol Open, 8, 2019
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5I3P
 | | DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO COMPOUND 27 | | Descriptor: | 5-[5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl]-2,4-dimethoxy-N-[(3-methoxyphenyl)sulfonyl]benzamide, Genome polyprotein, ZINC ION | | Authors: | Noble, C.G. | | Deposit date: | 2016-02-10 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Potent Allosteric Dengue Virus NS5 Polymerase Inhibitors: Mechanism of Action and Resistance Profiling
Plos Pathog., 12, 2016
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2J7W
 | | Dengue virus NS5 RNA dependent RNA polymerase domain complexed with 3' dGTP | | Descriptor: | DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-TRIPHOSPHATE, POLYPROTEIN, ... | | Authors: | Yap, T.L, Xu, T, Chen, Y.L, Malet, H, Egloff, M.P, Canard, B, Vasudevan, S.G, Lescar, J. | | Deposit date: | 2006-10-17 | | Release date: | 2007-03-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of the Dengue Virus RNA- Dependent RNA Polymerase Catalytic Domain at 1.85 Angstrom Resolution.
J.Virol., 81, 2007
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4C11
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5DTO
 | | Dengue virus full length NS5 complexed with viral Cap 0-RNA and SAH | | Descriptor: | 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, ACETATE ION, MAGNESIUM ION, ... | | Authors: | Zhao, Y, Soh, T.S, Lim, S.P, Chung, K.Y, Swaminathan, K, Vasudevan, S.G, Shi, P.-Y, Lescar, J, Luo, D. | | Deposit date: | 2015-09-18 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.603 Å) | | Cite: | 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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