Author results

2F9V
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HCV NS3 PROTEASE DOMAIN WITH NS4A PEPTIDE AND A KETOAMIDE INHIBITOR WITH P1 AND P2 CYCLOPROPYLALANNINES
分子名称:NS3 protease/helicase, polyprotein, ZINC ION, ...
著者Bogen, S.L., Ruan, S., Liu, R., Agrawal, S., Pichardo, J., Prongay, A., Baroudy, B., Saksena, A., Girijavallabhan, V., Njoroge, F.G.
登録日2005-12-06
公開日2007-01-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Depeptidization efforts on P3-P2 a-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity.
Bioorg.Med.Chem.Lett., 16, 2006
2YOJ
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HCV NS5B POLYMERASE COMPLEXED WITH PYRIDONYLINDOLE COMPOUND
分子名称:RNA-DIRECTED RNA POLYMERASE, 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION
著者Chen, K.X., Venkatraman, S., Anilkumar, G.N., Zeng, Q., Lesburg, C.A., Vibulbhan, B., Yang, W., Velazquez, F., Chan, T.-Y., Bennett, F., Sannigrahi, M., Jiang, Y., Duca, J.S., Pinto, P., Gavalas, S., Huang, Y., Wu, W., Selyutin, O., Agrawal, S., Feld, B., Huang, H.-C., Li, C., Cheng, K.-C., Shih, N.-Y., Kozlowski, J.A., Rosenblum, S.B., Njoroge, F.G.
登録日2012-10-24
公開日2013-10-09
最終更新日2017-08-23
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
3KNX
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HCV NS3 PROTEASE DOMAIN WITH P1-P3 MACROCYCLIC KETOAMIDE INHIBITOR
分子名称:HCV NS3 Protease, HCV NS4a peptide, ZINC ION, ...
著者Venkatraman, S., Velazquez, F., Wu, W., Blackman, M., Chen, K.X., Bogen, S., Nair, L., Tong, X., Chase, R., Hart, A., Agrawal, S., Pichardo, J., Prongay, A., Cheng, K.-C., Girijavallabhan, V., Piwinski, J., Shih, N.-Y., Njoroge, F.G.
登録日2009-11-12
公開日2010-10-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009
3U4O
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NOVEL HCV NS5B POLYMERASE INHIBITORS: DISCOVERY OF INDOLE C2 ACYL SULFONAMIDES
分子名称:RNA-directed RNA polymerase, 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION
著者Anilkumar, G.N., Selyutin, O., Rosenblum, S.B., Zeng, Q., Jiang, Y., Chan, T.-Y., Pu, H., Wang, L., Bennett, F., Chen, K.X., Lesburg, C.A., Duca, J.S., Gavalas, S., Huang, Y., Pinto, P., Sannigrahi, M., Velazquez, F., Venkataraman, S., Vilbubhan, B., Agrawal, S., Ferrari, E., Jiang, C.-K., Huang, H.-C., Shih, N.-Y., Njoroge, F.G., Kozlowski, J.A.
登録日2011-10-10
公開日2011-12-07
最終更新日2012-01-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
3U4R
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NOVEL HCV NS5B POLYMERASE INHIBITORS: DISCOVERY OF INDOLE C2 ACYL SULFONAMIDES
分子名称:RNA-directed RNA polymerase, 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide
著者Anilkumar, G.N., Selyutin, O., Rosenblum, S.B., Zeng, Q., Jiang, Y., Chan, T.-Y., Pu, H., Wang, L., Bennett, F., Chen, K.X., Lesburg, C.A., Duca, J.S., Gavalas, S., Huang, Y., Pinto, P., Sannagrahi, M., Velazquez, F., Venkataraman, S., Vilbubhan, B., Agrawal, S., Ferrari, E., Jiang, C.-K., Huang, H.-C., Shih, N.-Y., Njoroge, F.G., Kozlowski, J.A.
登録日2011-10-10
公開日2011-12-07
最終更新日2012-01-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.
Bioorg.Med.Chem.Lett., 22, 2012
4MZ4
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DISCOVERY OF AN IRREVERSIBLE HCV NS5B POLYMERASE INHIBITOR
分子名称:RNA-directed RNA polymerase, 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION
著者Zeng, Q., Anilkumar, G.N., Rosenblum, S.B., Huang, H.-C., Lesburg, C.A., Jiang, Y., Selyutin, O., Chan, T.-Y., Bennett, F., Chen, K.X., Venkatraman, S., Sannigrahi, M., Velazquez, F., Duca, J.S., Gavalas, S., Huang, Y., Pu, H., Wang, L., Pinto, P., Vibulbhan, B., Agrawal, S., Ferrari, E., Jiang, C.-K., Li, C., Hesk, D., Gesell, J., Sorota, S., Shih, N.-Y., Njoroge, F.G., Kozlowski, J.A.
登録日2013-09-29
公開日2013-12-11
最終更新日2013-12-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Discovery of an irreversible HCV NS5B polymerase inhibitor.
Bioorg.Med.Chem.Lett., 23, 2013
2CEF
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PHOSPHORYLATION OF THE CYTOPLASMIC TAIL OF TISSUE FACTOR AND ITS ROLE IN MODULATING STRUCTURE AND BINDING AFFINITY.
分子名称:TISSUE FACTOR
著者Sen, M., Agrawal, S., Craft, J.W., Ruf, W., Legge, G.B.
登録日2006-02-06
公開日2007-02-13
最終更新日2019-10-02
実験手法SOLUTION NMR
主引用文献Spectroscopic Characterization of Successive Phosphorylation of the Tissue Factor Cytoplasmic Region.
Open Spectrosc.J., 3, 2009
2CEH
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PHOSPHORYLATION OF THE CYTOPLASMIC TAIL OF TISSUE FACTOR AND ITS ROLE IN MODULATING STRUCTURE AND BINDING AFFINITY
分子名称:TISSUE FACTOR
著者Sen, M., Agrawal, S., Craft, J.W., Ruf, W., Legge, G.B.
登録日2006-02-06
公開日2007-02-13
最終更新日2019-10-02
実験手法SOLUTION NMR
主引用文献Spectroscopic Characterization of Successive Phosphorylation of the Tissue Factor Cytoplasmic Region.
Open Spectrosc.J., 3, 2009
2CEZ
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PHOSPHORYLATION OF THE CYTOPLASMIC TAIL OF TISSUE FACTOR AND ITS ROLE IN MODULATING STRUCTURE AND BINDING AFFINITY
分子名称:TISSUE FACTOR
著者Sen, M., Agrawal, S., Craft, J.W., Ruf, W., Legge, G.B.
登録日2006-02-13
公開日2007-02-20
最終更新日2019-10-02
実験手法SOLUTION NMR
主引用文献Spectroscopic Characterization of Successive Phosphorylation of the Tissue Factor Cytoplasmic Region.
Open Spectrosc J, 3, 2009
2CFJ
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PHOSPHORYLATION OF THE CYTOPLASMIC TAIL OF TISSUE FACTOR AND ITS ROLE IN MODULATING STRUCTURE AND BINDING AFFINITY
分子名称:TISSUE FACTOR
著者Sen, M., Agrawal, S., Craft, J.W., Ruf, W., Legge, G.B.
登録日2006-02-21
公開日2007-03-20
最終更新日2019-10-02
実験手法SOLUTION NMR
主引用文献Spectroscopic Characterization of Successive Phosphorylation of the Tissue Factor Cytoplasmic Region.
Open Spectrosc.J., 3, 2009
2J8P
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NMR STRUCTURE OF C-TERMINAL DOMAIN OF HUMAN CSTF-64
分子名称:CLEAVAGE STIMULATION FACTOR 64 KDA SUBUNIT
著者Qu, X., Perez-Canadillas, J.M., Agrawal, S., De Baecke, J., Cheng, H., Varani, G., Moore, C.
登録日2006-10-27
公開日2006-11-06
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献The C-Terminal Domains of Vertebrate Cstf-64 and its Yeast Orthologue RNA15 Form a New Structure Critical for Mrna 3'-End Processing.
J.Biol.Chem., 282, 2007
6J7Y
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HUMAN MITOCHONDRIAL OLIGORIBONUCLEASE IN COMPLEX WITH DNA
分子名称:Oligoribonuclease, mitochondrial, DNA (5'-D(P*TP*T)-3'), ...
著者Chu, L.Y., Agrawal, S., Yuan, H.S.
登録日2019-01-18
公開日2019-08-28
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Structural insights into nanoRNA degradation by human Rexo2.
Rna, 25, 2019
6J7Z
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HUMAN MITOCHONDRIAL OLIGORIBONUCLEASE IN COMPLEX WITH RNA
分子名称:Oligoribonuclease, mitochondrial, RNA (5'-R(P*UP*U)-3'), ...
著者Chu, L.Y., Agrawal, S., Yuan, H.S.
登録日2019-01-18
公開日2019-08-28
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Structural insights into nanoRNA degradation by human Rexo2.
Rna, 25, 2019
6J80
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HUMAN MITOCHONDRIAL OLIGORIBONUCLEASE IN COMPLEX WITH POLY-DT DNA
分子名称:Oligoribonuclease, mitochondrial, DNA (5'-D(P*TP*TP*TP*TP*TP*TP*T)-3'), ...
著者Chu, L.Y., Agrawal, S., Yuan, H.S.
登録日2019-01-18
公開日2019-08-28
実験手法X-RAY DIFFRACTION (1.812 Å)
主引用文献Structural insights into nanoRNA degradation by human Rexo2.
Rna, 25, 2019
3SKA
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I. NOVEL HCV NS5B POLYMERASE INHIBITORS: DISCOVERY OF INDOLE 2- CARBOXYLIC ACIDS WITH C3-HETEROCYCLES
分子名称:HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION, 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid
著者Lesburg, C.A., Anilkumar, G.N.
登録日2011-06-22
公開日2011-08-31
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3SKE
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I. NOVEL HCV NS5B POLYMERASE INHIBITORS: DISCOVERY OF INDOLE 2- CARBOXYLIC ACIDS WITH C3-HETEROCYCLES
分子名称:HCV NS5B RNA_DEPENDENT RNA POLYMERASE, PHOSPHATE ION, 1-[(2-aminopyridin-4-yl)methyl]-3-(2,4-dioxo-1,2-dihydrothieno[3,4-d]pyrimidin-3(4H)-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid
著者Lesburg, C.A., Anilkumar, G.N.
登録日2011-06-22
公開日2011-08-31
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3SKH
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I. NOVEL HCV NS5B POLYMERASE INHIBITORS: DISCOVERY OF INDOLE 2- CARBOXYLIC ACIDS WITH C3-HETEROCYCLES
分子名称:HCV NS5B RNA_DEPENDENT RNA POLYMERASE, 1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid
著者Lesburg, C.A., Anilkumar, G.N.
登録日2011-06-22
公開日2011-08-31
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献I. Novel HCV NS5B polymerase inhibitors: discovery of indole 2-carboxylic acids with C3-heterocycles.
Bioorg.Med.Chem.Lett., 21, 2011
3TYQ
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SAR DEVELOPMENT AND DISCOVERY OF POTENT INDOLE-BASED INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE
分子名称:RNA-directed RNA polymerase, 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION
著者Lesburg, C.A., Chen, K.X.
登録日2011-09-26
公開日2012-02-01
最終更新日2012-03-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Novel Class of Highly Potent Irreversible Hepatitis C Virus NS5B Polymerase Inhibitors.
J.Med.Chem., 55, 2012
3TYV
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SAR DEVELOPMENT AND DISCOVERY OF POTENT INDOLE-BASED INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE
分子名称:RNA-directed RNA polymerase, PHOSPHATE ION, N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide
著者Lesburg, C.A., Chen, K.X.
登録日2011-09-26
公開日2012-02-01
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
J.Med.Chem., 55, 2012
4E6Z
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TIC22 FROM PLASMODIUM FALCIPARUM
分子名称:Apicoplast TIC22, putative, GLYCEROL
著者Glaser, S., Higgins, M.K.
登録日2012-03-16
公開日2012-10-10
最終更新日2012-12-05
実験手法X-RAY DIFFRACTION (2.1501 Å)
主引用文献Tic22 is an essential chaperone required for protein import into the apicoplast.
J.Biol.Chem., 287, 2012
2WYQ
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THE CRYSTAL STRUCTURE OF THE UBIQUITIN-LIKE (UBL) DOMAIN OF HHR23A (HUMAN HOMOLOGUE A OF RAD23)
分子名称:UV EXCISION REPAIR PROTEIN RAD23 HOMOLOG A, SULFATE ION
著者Chen, Y.W.
登録日2009-11-19
公開日2010-11-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献The Crystal Structure of the Ubiquitin-Like (Ubl) Domain of Human Homologue a of Rad23 (Hhr23A) Protein
Protein Eng.Des.Sel., 24, 2011
3LKH
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INHIBITORS OF HEPATITIS C VIRUS POLYMERASE: SYNTHESIS AND CHARACTERIZATION OF NOVEL 6-FLUORO-N-[2-HYDROXY-1(S)-BENZAMIDES
分子名称:RNA-directed RNA polymerase, 2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide
著者Lesburg, C.A.
登録日2010-01-27
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides.
Bioorg.Med.Chem.Lett., 20, 2010
5XGU
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ESCHERICHIA COLI. RNASE R
分子名称:Ribonuclease R, MAGNESIUM ION
著者Chu, L.Y., Hsieh, T.J., Yuan, H.S.
登録日2017-04-17
公開日2017-10-18
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.846 Å)
主引用文献Structural insights into RNA unwinding and degradation by RNase R.
Nucleic Acids Res., 45, 2017
5ZF6
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CRYSTAL STRUCTURE OF THE DIMERIC HUMAN PNPASE
分子名称:Polyribonucleotide nucleotidyltransferase 1, mitochondrial
著者Yuan, H.S., Golzarroshan, B.
登録日2018-03-02
公開日2018-08-22
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Crystal structure of dimeric human PNPase reveals why disease-linked mutants suffer from low RNA import and degradation activities.
Nucleic Acids Res., 46, 2018
2OC7
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH571696
分子名称:Hepatitis C Virus, ZINC ION, BETA-MERCAPTOETHANOL, ...
著者Prongay, A.J., Guo, Z., Yao, N., Fischmann, T., Strickland, C., Myers Jr., J., Weber, P.C., Malcolm, B., Beyer, B.M., Ingram, R., Pichardo, J., Hong, Z., Prosise, W.W., Ramanathan, L., Taremi, S.S., Yarosh-Tomaine, T., Zhang, R., Senior, M., Yang, R., Arasappan, A., Bennett, F., Bogen, S.F., Chen, K., Jao, E., Liu, Y., Love, R.G., Saksena, A.K., Venkatraman, S., Girijavallabhan, V., Njoroge, F.G., Madison, V.
登録日2006-12-20
公開日2007-07-31
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
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