Author results

2MYF
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SOLUTION STRUCTURE OF RNA RECOGNITION MOTIF OF A CYCLOPHILIN33-LIKE PROTEIN FROM PLASMODIUM FALCIPARUM
分子名称:RRM containing cyclophilin
著者Ganguly, A.K., Bhavesh, N.S.
登録日2015-01-22
公開日2016-01-27
実験手法SOLUTION NMR
主引用文献Solution structure of RNA recognition motif of a cyclophilin33-like protein from Plasmodium falciparum
To be Published
2N7C
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SOLUTION STRUCTURE OF PLASMODIUM FALCIPARUM SR1-RRM1 IN COMPLEX WITH ACAUCA RNA
分子名称:putative splicing factor, RNA_(5'-R(*AP*CP*AP*UP*CP*A)-3')
著者Ganguly, A.K., Verma, G., Bhavesh, N.S.
登録日2015-09-08
公開日2016-10-12
最終更新日2019-04-17
実験手法SOLUTION NMR
主引用文献The N-terminal RNA Recognition Motif of PfSR1 Confers Semi-specificity for Pyrimidines during RNA Recognition.
J. Mol. Biol., 431, 2019
4MC1
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HIV PROTEASE IN COMPLEX WITH SA526P
分子名称:Protease, CHLORIDE ION, (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
著者Ganguly, A.K., Alluri, S.S., Wang, C., Antropow, A., White, A., Caroccia, D., Biswas, D., Kang, E., Zhang, L., Carroll, S.S., Burlein, C., Munshi, V., Orth, P., Strickland, C.
登録日2013-08-21
公開日2014-04-02
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4MC2
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HIV PROTEASE IN COMPLEX WITH SA525P
分子名称:Protease, (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION
著者Ganguly, A.K., Alluri, S.S., Wang, C., Caroccia, D., Biswas, D., Kang, E., Zhang, L., Carroll, S.S., Burlein, C., Munshi, V., Orth, P., Strickland, C.
登録日2013-08-21
公開日2014-04-02
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4MC6
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HIV PROTEASE IN COMPLEX WITH SA499
分子名称:Protease, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, 1,2-ETHANEDIOL, ...
著者Ganguly, A.K., Alluri, S.S., Wang, C., Antropow, A., White, A., Caroccia, D., Biswas, D., Kang, E., Zhang, L., Carroll, S.S., Burlein, C., Munshi, V., Orth, P., Strickland, C.
登録日2013-08-21
公開日2014-04-02
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
4MC9
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HIV PROTEASE IN COMPLEX WITH AA74
分子名称:Protease, (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, ...
著者Ganguly, A.K., Alluri, S.S., Wang, C., Antropow, A., White, A., Caroccia, D., Biswas, D., Kang, E., Zhang, L., Carroll, S.S., Burlein, C., Munshi, V., Orth, P., Strickland, C.
登録日2013-08-21
公開日2014-04-02
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
2A4G
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HEPATITIS C PROTEASE NS3-4A SERINE PROTEASE WITH KETOAMIDE INHIBITOR SCH225724 BOUND
分子名称:NS3 protease/helicase, NS4a peptide, ZINC ION, ...
著者Arasappan, A., Njoroge, F.G., Chan, T.Y., Bennett, F., Bogen, S.L., Chen, K., Gu, H., Hong, L., Jao, E., Liu, Y.T., Lovey, R.G., Parekh, T., Pike, R.E., Pinto, P., Santhanam, B., Venkatraman, S., Vaccaro, H., Wang, H., Yang, X., Zhu, Z., Mckittrick, B., Saksena, A.K., Girijavallabhan, V., Pichardo, J., Butkiewicz, N., Ingram, R., Malcolm, B., Prongay, A.J., Yao, N., Marten, B., Madison, V., Kemp, S., Levy, O., Lim-Wilby, M., Tamura, S., Ganguly, A.K.
登録日2005-06-28
公開日2006-07-04
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
1O5M
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STRUCTURE OF FPT BOUND TO THE INHIBITOR SCH66336
分子名称:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
著者Strickland, C.L., Weber, P.C., Ganguly, A.K.
登録日2003-09-26
公開日2003-10-21
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Tricyclic Farnesyl Protein Transferase Inhibitors: Crystallographic and Calorimetric Studies of Structure-Activity Relationships
J.Med.Chem., 42, 1999
2MMY
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SOLUTION STRUCTURE OF THE RNA RECOGNITION MOTIF OF HUMAN TAF15
分子名称:TATA-binding protein-associated factor 2N
著者Kashyap, M., Ganguly, A.K., Bhavesh, N.S.
登録日2014-03-22
公開日2015-03-25
最終更新日2015-12-09
実験手法SOLUTION NMR
主引用文献Structural delineation of stem-loop RNA binding by human TAF15 protein
Sci Rep, 5, 2015
2MY7
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NMR STRUCTURE OF UNFOLDING INTERMEDIATE STATE OF RRM-3 DOMAIN OF ETR-3
分子名称:CUGBP Elav-like family member 2
著者Bhatt, H.P., Ganguly, A.K., Bhavesh, N.S.
登録日2015-01-21
公開日2015-02-04
実験手法SOLUTION NMR
主引用文献NMR Structure of unfolding intermediate state of RRM-3 domain of ETR-3
To be Published
2MY8
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NMR STRUCTURE OF RRM-3 DOMAIN OF ETR-3
分子名称:CUGBP Elav-like family member 2
著者Kashyap, M., Bhatt, H.P., Ganguly, A.K., Bhavesh, N.S.
登録日2015-01-21
公開日2015-02-04
実験手法SOLUTION NMR
主引用文献NMR Structure of RRM-3 domain of ETR-3
To be Published
2N3L
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SOLUTION STRUCTURE OF RNA RECOGNITION MOTIF-1 OF PLASMODIUM FALCIPARUM SERINE/ARGININE-RICH PROTEIN 1.
分子名称:serine/arginine-rich protein 1, PfSR1-RRM1
著者Ganguly, A., Verma, G., Bhavesh, N.S.
登録日2015-06-05
公開日2016-07-20
最終更新日2019-04-17
実験手法SOLUTION NMR
主引用文献The N-terminal RNA Recognition Motif of PfSR1 Confers Semi-specificity for Pyrimidines during RNA Recognition.
J. Mol. Biol., 431, 2019
3TH9
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CRYSTAL STRUCTURE OF HIV-1 PROTEASE MUTANT Q7K V32I L63I WITH A CYCLIC SULFONAMIDE INHIBITOR
分子名称:Gag-Pol polyprotein, tert-butyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate
著者Orth, P.
登録日2011-08-18
公開日2011-09-28
最終更新日2011-11-02
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Design, Synthesis, and X-ray Crystallographic Analysis of a Novel Class of HIV-1 Protease Inhibitors.
J.Med.Chem., 54, 2011
2OBO
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH476776
分子名称:HCV NS3 protease, HCV NS4A peptide, ZINC ION, ...
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2006-12-19
公開日2007-07-31
最終更新日2012-12-26
実験手法X-RAY DIFFRACTION (2.6 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
2OBQ
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DISCOVERY OF THE HCV NS3/4A PROTEASE INHIBITOR SCH503034. KEY STEPS IN STRUCTURE-BASED OPTIMIZATION
分子名称:Hepatitis C virus, ZINC ION
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2006-12-19
公開日2007-07-31
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 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
2OC0
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STRUCTURE OF NS3 COMPLEXED WITH A KETOAMIDE INHIBITOR SCH491762
分子名称:Hepatitis C Virus, Hepatitis C virus, ZINC ION, ...
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 (2.3 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
2OC1
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STRUCTURE OF THE HCV NS3/4A PROTEASE INHIBITOR CVS4819
分子名称:Hepatitis C virus, ZINC ION, (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
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2018-04-04
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
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
2OC8
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH503034
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, 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.S., Arasappan, A., Bennett, F., Bogen, S.L., Chen, K., Jao, E., Liu, Y.T., Lovey, 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2011-07-13
実験手法X-RAY DIFFRACTION (2.66 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
2A4R
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HCV NS3 PROTEASE DOMAIN WITH A KETOAMIDE INHIBITOR COVALENTLY BOUND.
分子名称:NS3 protease/helicase, Ns4a peptide, ZINC ION, ...
著者Bogen, S., Saksena, A.K., Arasappan, A., Gu, H., Njoroge, F.G., Girijavallabhan, V., Pichardo, J., Butkiewicz, N., Prongay, A., Madison, V.
登録日2005-06-29
公開日2006-07-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
2GVF
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HCV NS3-4A PROTEASE DOMAIN COMPLEXED WITH A MACROCYCLIC KETOAMIDE INHIBITOR, SCH419021
分子名称:polyprotein, Polyprotein, ZINC ION, ...
著者Arasappan, A., Njoroge, F.G., Chen, K.X., Venkatraman, S., Parekh, T.N., Gu, H., Pichardo, J., Butkiewicz, N., Prongay, A., Madison, V., Girijavallabhan, V.
登録日2006-05-02
公開日2007-01-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
2A4Q
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HCV NS3 PROTEASE WITH NS4A PEPTIDE AND A COVALENTLY BOUND MACROCYCLIC KETOAMIDE COMPOUND.
分子名称:NS3 protease/helicase', NS4a peptide, ZINC ION, ...
著者Chen, K.X., Njoroge, F.G., Prongay, A., Pichardo, J., Madison, V., Girijavallabhan, V.
登録日2005-06-29
公開日2006-07-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005