Author results

2L88
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SOLUTION STRUCTURE OF ALL PARALLEL G-QUADRUPLEX FORMED BY THE ONCOGENE RET PROMOTER SEQUENCE
Descriptor:5'-D(*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*CP*GP*GP*GP*GP*T)-3'
Authors:Tong, X., Cao, C.
Deposit date:2011-01-06
Release date:2011-05-25
Last modified:2011-12-28
Method:SOLUTION NMR
Cite:Solution structure of all parallel G-quadruplex formed by the oncogene RET promoter sequence
Nucleic Acids Res., 39, 2011
1WWN
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NMR SOLUTION STRUCTURE OF BMK-BETAIT, AN EXCITATORY SCORPION TOXIN FROM BUTHUS MARTENSI KARSCH
Descriptor:Excitatory insect selective toxin 1
Authors:Wu, H., Tong, X., Chen, X., Zhang, Q., Zheng, X., Zhang, N., Wu, G.
Deposit date:2005-01-10
Release date:2006-01-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:NMR solution structure of BmK-betaIT, an excitatory scorpion beta-toxin without a 'hot spot' at the relevant position
Biochem.Biophys.Res.Commun., 349, 2006
3VC8
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CRYSTAL STRUCTURE OF THE C-TERMINAL CYTOPLASMIC DOMAIN OF NON-STRUCTURAL PROTEIN 4 FROM MOUSE HEPATITIS VIRUS A59
Descriptor:RNA-directed RNA polymerase
Authors:Xu, X., Lou, Z., Ma, Y., Chen, X., Yang, Z., Tong, X., Zhao, Q., Xu, Y., Deng, H., Bartlam, M., Rao, Z.
Deposit date:2012-01-03
Release date:2012-01-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59.
Plos One, 4, 2009
3VCB
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C425S MUTANT OF THE C-TERMINAL CYTOPLASMIC DOMAIN OF NON-STRUCTURAL PROTEIN 4 FROM MOUSE HEPATITIS VIRUS A59
Descriptor:RNA-directed RNA polymerase
Authors:Xu, X., Lou, Z., Ma, Y., Chen, X., Yang, Z., Tong, X., Zhao, Q., Xu, Y., Deng, H., Bartlam, M., Rao, Z.
Deposit date:2012-01-03
Release date:2012-01-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the C-terminal cytoplasmic domain of non-structural protein 4 from mouse hepatitis virus A59.
Plos One, 4, 2009
1WT8
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SOLUTION STRUCTURE OF BMP08 FROM THE VENOM OF SCORPION BUTHUS MARTENSII KARSCH, 20 STRUCTURES
Descriptor:Neurotoxin BmK X
Authors:Wu, H., Chen, X., Tong, X., Li, Y., Zhang, N., Wu, G.
Deposit date:2004-11-17
Release date:2005-04-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of BmP08, a novel short-chain scorpion toxin from Buthus martensi Karsch.
Biochem.Biophys.Res.Commun., 330, 2005
2FM2
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HCV NS3-4A PROTEASE DOMAIN COMPLEXED WITH A KETOAMIDE INHIBITOR, SCH446211
Descriptor:NS3 protease/helicase, NS4a protein, ZINC ION, ...
Authors:Yi, M., Tong, X., Skelton, A., Chase, R., Chen, T., Prongay, A., Bogen, S.L., Saksena, A.K., Njoroge, F.G., Veselenak, R.L., Pyles, R.B., Bourne, N., Malcolm, B.A., Lemon, S.M.
Deposit date:2006-01-06
Release date:2006-02-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mutations conferring resistance to SCH6, a novel hepatitis C virus NS3/4A protease inhibitor. Reduced RNA replication fitness and partial rescue by second-site mutations
J.Biol.Chem., 281, 2006
2LGG
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STRUCTURE OF PHD DOMAIN OF UHRF1 IN COMPLEX WITH H3 PEPTIDE
Descriptor:E3 ubiquitin-protein ligase UHRF1, histone H3 peptide, ZINC ION
Authors:Wang, C., Shen, J., Yang, Z., Chen, P., Zhao, B., Hu, W., Lan, W., Tong, X., Wu, H., Li, G., Cao, C.
Deposit date:2011-07-26
Release date:2011-09-28
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LGK
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NMR STRUCTURE OF UHRF1 PHD DOMAINS IN A COMPLEX WITH HISTONE H3 PEPTIDE
Descriptor:E3 ubiquitin-protein ligase UHRF1, histone H3 peptide, ZINC ION
Authors:Wang, C., Shen, J., Yang, Z., Chen, P., Zhao, B., Hu, W., Lan, W., Tong, X., Wu, H., Li, G., Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
2LGL
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NMR STRUCTURE OF THE UHRF1 PHD DOMAIN
Descriptor:E3 ubiquitin-protein ligase UHRF1, ZINC ION
Authors:Wang, C., Shen, J., Yang, Z., Chen, P., Zhao, B., Hu, W., Lan, W., Tong, X., Wu, H., Li, G., Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011
3KNX
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HCV NS3 PROTEASE DOMAIN WITH P1-P3 MACROCYCLIC KETOAMIDE INHIBITOR
Descriptor:HCV NS3 Protease, HCV NS4a peptide, ZINC ION, ...
Authors: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.
Deposit date:2009-11-12
Release date:2010-10-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and structure-activity relationship of P1-P3 ketoamide derived macrocyclic inhibitors of hepatitis C virus NS3 protease.
J.Med.Chem., 52, 2009
2E0H
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SOLUTION STRUCTURE OF BMKALPHAIT01, AN ALPHA-INSECT TOXIN FROM THE VENOM OF THE CHINESE SCORPION BUTHUS MARTENSI KARSCH
Descriptor:Alpha-neurotoxin TX12
Authors:Tong, X.T., Chen, X., Wu, H.M.
Deposit date:2006-10-08
Release date:2007-10-16
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of BmKalphaIT01, an alpha-Insect Toxin from the Venom of the Chinese Scorpion Buthus martensii Karsch
Biochemistry, 46, 2007
3CI9
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CRYSTAL STRUCTURE OF THE HUMAN HSBP1
Descriptor:Heat shock factor-binding protein 1
Authors:Liu, X., Xu, L., Liu, Y., Zhu, G., Zhang, X.C., Li, X., Rao, Z.
Deposit date:2008-03-11
Release date:2009-01-20
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the hexamer of human heat shock factor binding protein 1
Proteins, 75, 2009
3N2N
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THE CRYSTAL STRUCTURE OF TUMOR ENDOTHELIAL MARKER 8 (TEM8) EXTRACELLULAR DOMAIN
Descriptor:Anthrax toxin receptor 1, ACETATE ION, MAGNESIUM ION
Authors:Fu, S., Tong, X.H., Wu, Y., Li, Y.Y., Rao, Z.H.
Deposit date:2010-05-18
Release date:2011-01-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of tumor endothelial marker 8 (TEM8) extracellular domain and implications for its receptor function for recognizing anthrax toxin.
Plos One, 5, 2010
3OPT
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CRYSTAL STRUCTURE OF THE RPH1 CATALYTIC CORE WITH A-KETOGLUTARATE
Descriptor:DNA damage-responsive transcriptional repressor RPH1, 2-OXOGLUTARIC ACID, NICKEL (II) ION
Authors:Chang, Y., Wu, J., Tong, X., Zhou, J., Ding, J.
Deposit date:2010-09-02
Release date:2010-12-22
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
3OPW
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CRYSTAL STRUCTURE OF THE RPH1 CATALYTIC CORE
Descriptor:DNA damage-responsive transcriptional repressor RPH1
Authors:Chang, Y., Wu, J., Tong, X., Zhou, J., Ding, J.
Deposit date:2010-09-02
Release date:2010-12-22
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the catalytic core of Saccharomyces cerevesiae histone demethylase Rph1: insights into the substrate specificity and catalytic mechanism
Biochem.J., 433, 2011
2KBH
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SOLUTION STRUCTURE OF BMKALPHATX11 (MAJOR CONFORMATION)
Descriptor:Toxin Bmka2
Authors:Zhu, J., Wu, H.
Deposit date:2008-11-28
Release date:2009-12-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 391, 2010
2KBJ
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SOLUTION STRUCTURE OF BMKALPHATX11 (MINOR CONFORMATION)
Descriptor:Toxin Bmka2
Authors:Zhu, J., Wu, H.
Deposit date:2008-11-28
Release date:2009-12-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 391, 2010
2KBK
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SOLUTION STRUCTURE OF BMK-M10
Descriptor:Neurotoxin BmK-M10
Authors:Zhu, J., Wu, H.
Deposit date:2008-11-28
Release date:2009-12-22
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution Structure of BmK-M10
To be Published
3KN2
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HCV NS3 PROTEASE DOMAIN WITH KETOAMIDE INHIBITOR
Descriptor:HCV NS3 Protease Domain, Peptide KK-NS4A-KK, ZINC ION, ...
Authors:Nair, L.G., Sannigrahi, M., Pinto, P., Bogen, S., Chen, K.X., Njoroge, G., Prongay, A.
Deposit date:2009-11-11
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:P4 capped amides and lactams as HCV NS3 protease inhibitors with improved potency and DMPK profile.
Bioorg.Med.Chem.Lett., 20, 2010
3LON
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HCV NS3-4A PROTEASE DOMAIN WITH KETOAMIDE INHIBITOR NARLAPREVIR
Descriptor:Genome polyprotein, KK-NS4a(21-39)-KK, ZINC ION, ...
Authors:Prongay, A.J.
Deposit date:2010-02-04
Release date:2011-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Candidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
To be Published
3LOX
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HCV NS3-4A PROTEASE DOMAIN WITH A KETOAMIDE INHIBITOR DERIVATIVE OF BOCEPREVIR BOUND
Descriptor:HCV NS3 Protease, HCV NS4a(21-39) peptide, ZINC ION, ...
Authors:Prongay, A.J.
Deposit date:2010-02-04
Release date:2011-02-23
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.
Bioorg.Med.Chem.Lett., 20, 2010
2GVF
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HCV NS3-4A PROTEASE DOMAIN COMPLEXED WITH A MACROCYCLIC KETOAMIDE INHIBITOR, SCH419021
Descriptor:polyprotein, Polyprotein, ZINC ION, ...
Authors: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.
Deposit date:2006-05-02
Release date:2007-01-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Bioorg.Med.Chem.Lett., 16, 2006
2OBO
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STRUCTURE OF HEPATITIS C VIRAL NS3 PROTEASE DOMAIN COMPLEXED WITH NS4A PEPTIDE AND KETOAMIDE SCH476776
Descriptor:HCV NS3 protease, HCV NS4A peptide, ZINC ION, ...
Authors: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.
Deposit date:2006-12-19
Release date:2007-07-31
Last modified:2012-12-26
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor:Hepatitis C virus, ZINC ION
Authors: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.
Deposit date:2006-12-19
Release date:2007-07-31
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor:Hepatitis C Virus, Hepatitis C virus, ZINC ION, ...
Authors: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.
Deposit date:2006-12-20
Release date:2007-07-31
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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