3P8Z
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![BU of 3p8z by Molmil](/molmil-images/mine/3p8z) | Dengue Methyltransferase bound to a SAM-based inhibitor | Descriptor: | (S)-2-amino-4-(((2S,3S,4R,5R)-5-(6-(3-chlorobenzylamino)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)butanoic acid, Non-structural protein 5, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Noble, C.G, Yap, L.J, Lescar, J. | Deposit date: | 2010-10-15 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small molecule inhibitors that selectively block dengue virus methyltransferase J.Biol.Chem., 286, 2011
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3P97
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![BU of 3p97 by Molmil](/molmil-images/mine/3p97) | |
5F3Z
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![BU of 5f3z by Molmil](/molmil-images/mine/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
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![BU of 5f41 by Molmil](/molmil-images/mine/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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5F3T
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![BU of 5f3t by Molmil](/molmil-images/mine/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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5H2R
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![BU of 5h2r by Molmil](/molmil-images/mine/5h2r) | Crystal structure of T brucei phosphodiesterase B2 bound to compound 15b | Descriptor: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, MAGNESIUM ION, Phosphodiesterase, ... | Authors: | Noble, C.G. | Deposit date: | 2016-10-17 | Release date: | 2017-11-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Trypanosomal Phosphodiesterase B1 and B2 as a Potential Therapy for Human African Trypanosomiasis To Be Published
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4HHJ
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![BU of 4hhj by Molmil](/molmil-images/mine/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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5H2Q
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![BU of 5h2q by Molmil](/molmil-images/mine/5h2q) | Crystal structure of T brucei phosphodiesterase B2 bound to compound 13e | Descriptor: | (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, MAGNESIUM ION, Phosphodiesterase, ... | Authors: | Noble, C.G. | Deposit date: | 2016-10-17 | Release date: | 2017-11-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Trypanosomal Phosphodiesterase B1 and B2 as a Potential Therapy for Human African Trypanosomiasis To Be Published
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5I3P
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![BU of 5i3p by Molmil](/molmil-images/mine/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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5I3Q
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![BU of 5i3q by Molmil](/molmil-images/mine/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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4R9S
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![BU of 4r9s by Molmil](/molmil-images/mine/4r9s) | Mycobacterium tuberculosis InhA bound to NITD-916 | Descriptor: | 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Noble, C.G. | Deposit date: | 2014-09-07 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Direct inhibitors of InhA are active against Mycobacterium tuberculosis Sci Transl Med, 7, 2015
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4R9R
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![BU of 4r9r by Molmil](/molmil-images/mine/4r9r) | Mycobacterium tuberculosis InhA bound to NITD-564 | Descriptor: | 6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Noble, C.G. | Deposit date: | 2014-09-07 | Release date: | 2015-01-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Direct inhibitors of InhA are active against Mycobacterium tuberculosis Sci Transl Med, 7, 2015
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5HMX
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![BU of 5hmx by Molmil](/molmil-images/mine/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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5HMZ
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![BU of 5hmz by Molmil](/molmil-images/mine/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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5HMY
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![BU of 5hmy by Molmil](/molmil-images/mine/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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5HMW
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![BU of 5hmw by Molmil](/molmil-images/mine/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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5HN0
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![BU of 5hn0 by Molmil](/molmil-images/mine/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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2NPI
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![BU of 2npi by Molmil](/molmil-images/mine/2npi) | Clp1-ATP-Pcf11 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein CLP1, ... | Authors: | Noble, C.G, Beuth, B, Taylor, I.A. | Deposit date: | 2006-10-27 | Release date: | 2006-12-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of a nucleotide-bound Clp1-Pcf11 polyadenylation factor Nucleic Acids Res., 35, 2007
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4R8S
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![BU of 4r8s by Molmil](/molmil-images/mine/4r8s) | Dengue serotype 3 methyltransferase bound to Sinefungin | Descriptor: | SINEFUNGIN, nonstructural protein NS5 | Authors: | Noble, C.G. | Deposit date: | 2014-09-02 | Release date: | 2014-10-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal structure of dengue virus methyltransferase without S-adenosyl-L-methionine Antiviral Res., 111C, 2014
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4R8R
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![BU of 4r8r by Molmil](/molmil-images/mine/4r8r) | |
3U1I
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![BU of 3u1i by Molmil](/molmil-images/mine/3u1i) | Dengue virus protease covalently bound to a peptide | Descriptor: | SULFATE ION, Serine protease NS3, Serine protease subunit NS2B, ... | Authors: | Noble, C.G. | Deposit date: | 2011-09-29 | Release date: | 2011-11-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ligand-bound structures of the dengue virus protease reveal the active conformation J.Virol., 86, 2012
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3U1J
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![BU of 3u1j by Molmil](/molmil-images/mine/3u1j) | Aprotinin bound to Dengue virus protease | Descriptor: | Pancreatic trypsin inhibitor, Serine protease NS3, Serine protease subunit NS2B | Authors: | Noble, C.G. | Deposit date: | 2011-09-30 | Release date: | 2011-11-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ligand-bound structures of the dengue virus protease reveal the active conformation J.Virol., 86, 2012
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3VWS
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![BU of 3vws by Molmil](/molmil-images/mine/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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2BF0
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![BU of 2bf0 by Molmil](/molmil-images/mine/2bf0) | crystal structure of the rpr of pcf11 | Descriptor: | CALCIUM ION, PCF11 | Authors: | Noble, C.G, Hollingworth, D, Martin, S.R, Adeniran, V.E, Smerdon, S.J, Kelly, G, Taylor, I.A, Ramos, A. | Deposit date: | 2004-12-02 | Release date: | 2005-01-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Key Features of the Interaction between Pcf11 Cid and RNA Polymerase II Ctd. Nat.Struct.Mol.Biol., 12, 2005
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2XBM
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![BU of 2xbm by Molmil](/molmil-images/mine/2xbm) | Crystal structure of the dengue virus methyltransferase bound to a 5'- capped octameric RNA | Descriptor: | 5'-(*G3AP*GP*AP*AP*CP*CP*UP*GP*A)-3', GLYCEROL, NONSTRUCTURAL PROTEIN NS5, ... | Authors: | Yap, L.J, Luo, D.H, Chung, K.Y, Lim, S.P, Bodenreider, C, Noble, C, Shi, P.Y, Lescar, J. | Deposit date: | 2010-04-13 | Release date: | 2010-09-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of the Dengue Virus Methyltransferase Bound to a 5'-Capped Octameric RNA Plos One, 5, 2010
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