4Q1N
 
 | | Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors | | 分子名称: | (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F. | | 登録日 | 2014-04-04 | | 公開日 | 2014-08-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
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5HN0
 | | 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
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5HMX
 | | 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
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5HMY
 | | 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
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5HMZ
 | | 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
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5HMW
 | | 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
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4PYV
 | | Crystal structure of renin in complex with compound4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Renin, ... | | 著者 | Ostermann, N, Zink, F. | | 登録日 | 2014-03-28 | | 公開日 | 2014-10-08 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors.
ACS Med Chem Lett, 5, 2014
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6XD1
 | | 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
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6XD0
 | | 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
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5JJR
 | | 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
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5JJS
 | | 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
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5K5M
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7SQM
 | | Discovery and Preclinical Pharmacology of INE963, A Potent and Fast-Acting Blood-Stage Antimalarial with a High Barrier to Resistance and Potential for Single-Dose Cure in Uncomplicated Malaria | | 分子名称: | 1-[(4S)-5-(2,4-difluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-4-methylpiperidin-4-amine, GLYCEROL, Serine/threonine-protein kinase haspin | | 著者 | Shu, W, Yokokawa, F. | | 登録日 | 2021-11-05 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Failure of artesunate-mefloquine combination therapy for uncompli-cated Plasmodium falciparum malaria in southern Cambodia.
Malar. J., 2009, 8, 10, 2009
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5F3Z
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5F41
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5F3T
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5I3P
 | | 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
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5I3Q
 | | 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
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