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PDB: 28 件
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
3P97
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BU of 3p97 by Molmil
Dengue 3 NS5 Methyltransferase bound to the substrate S-Adenosyl methionine
分子名称: Non-structural protein 5, S-ADENOSYLMETHIONINE
著者Noble, C.G, Yap, L.J, Lescar, J.
登録日2010-10-16
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small molecule inhibitors that selectively block dengue virus methyltransferase
J.Biol.Chem., 286, 2011
3P8Z
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BU of 3p8z by Molmil
Dengue Methyltransferase bound to a SAM-based inhibitor
分子名称: (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
著者Noble, C.G, Yap, L.J, Lescar, J.
登録日2010-10-15
公開日2010-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small molecule inhibitors that selectively block dengue virus methyltransferase
J.Biol.Chem., 286, 2011
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
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
4R8S
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BU of 4r8s by Molmil
Dengue serotype 3 methyltransferase bound to Sinefungin
分子名称: SINEFUNGIN, nonstructural protein NS5
著者Noble, C.G.
登録日2014-09-02
公開日2014-10-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structure of dengue virus methyltransferase without S-adenosyl-L-methionine
Antiviral Res., 111C, 2014
4R9S
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BU of 4r9s by Molmil
Mycobacterium tuberculosis InhA bound to NITD-916
分子名称: 6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Noble, C.G.
登録日2014-09-07
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Direct inhibitors of InhA are active against Mycobacterium tuberculosis
Sci Transl Med, 7, 2015
4R8R
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BU of 4r8r by Molmil
Dengue virus serotype 3 methyltransferase without a bound S-adenosyl methionine
分子名称: nonstructural protein NS5
著者Noble, C.G.
登録日2014-09-02
公開日2014-10-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Crystal structure of dengue virus methyltransferase without S-adenosyl-L-methionine
Antiviral Res., 111C, 2014
4R9R
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Mycobacterium tuberculosis InhA bound to NITD-564
分子名称: 6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Noble, C.G.
登録日2014-09-07
公開日2015-01-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Direct inhibitors of InhA are active against Mycobacterium tuberculosis
Sci Transl Med, 7, 2015
3U1J
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BU of 3u1j by Molmil
Aprotinin bound to Dengue virus protease
分子名称: Pancreatic trypsin inhibitor, Serine protease NS3, Serine protease subunit NS2B
著者Noble, C.G.
登録日2011-09-30
公開日2011-11-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ligand-bound structures of the dengue virus protease reveal the active conformation
J.Virol., 86, 2012
2BF0
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BU of 2bf0 by Molmil
crystal structure of the rpr of pcf11
分子名称: CALCIUM ION, PCF11
著者Noble, C.G, Hollingworth, D, Martin, S.R, Adeniran, V.E, Smerdon, S.J, Kelly, G, Taylor, I.A, Ramos, A.
登録日2004-12-02
公開日2005-01-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Key Features of the Interaction between Pcf11 Cid and RNA Polymerase II Ctd.
Nat.Struct.Mol.Biol., 12, 2005
3U1I
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BU of 3u1i by Molmil
Dengue virus protease covalently bound to a peptide
分子名称: SULFATE ION, Serine protease NS3, Serine protease subunit NS2B, ...
著者Noble, C.G.
登録日2011-09-29
公開日2011-11-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Ligand-bound structures of the dengue virus protease reveal the active conformation
J.Virol., 86, 2012
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
2NPI
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BU of 2npi by Molmil
Clp1-ATP-Pcf11 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein CLP1, ...
著者Noble, C.G, Beuth, B, Taylor, I.A.
登録日2006-10-27
公開日2006-12-19
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure of a nucleotide-bound Clp1-Pcf11 polyadenylation factor
Nucleic Acids Res., 35, 2007
5H2R
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BU of 5h2r by Molmil
Crystal structure of T brucei phosphodiesterase B2 bound to compound 15b
分子名称: (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, ...
著者Noble, C.G.
登録日2016-10-17
公開日2017-11-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Trypanosomal Phosphodiesterase B1 and B2 as a Potential Therapy for Human African Trypanosomiasis
To Be Published
5H2Q
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BU of 5h2q by Molmil
Crystal structure of T brucei phosphodiesterase B2 bound to compound 13e
分子名称: (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, ...
著者Noble, C.G.
登録日2016-10-17
公開日2017-11-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Trypanosomal Phosphodiesterase B1 and B2 as a Potential Therapy for Human African Trypanosomiasis
To Be Published
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
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
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
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
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
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
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
3WDD
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BU of 3wdd by Molmil
Mutant N-terminal domain of Mycobacterium tuberculosis ClpC1, F2Y, bound to Cyclomarin A
分子名称: ACETATE ION, Cyclomarin A, Probable ATP-dependent Clp protease ATP-binding subunit
著者Vasudevan, D, Noble, C.G.
登録日2013-06-14
公開日2013-09-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural basis of mycobacterial inhibition by cyclomarin A
J.Biol.Chem., 288, 2013

 

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