Author results

3PZ7
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CRYSTAL STRUCTURE OF CCD1-DIX DOMAIN
分子名称:Dixin, 1,2-ETHANEDIOL
著者Liu, Y.T., Wang, J.W., Chen, L., Wu, J.W.
登録日2010-12-14
公開日2010-12-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.441 Å)
主引用文献Molecular basis of WNT Activation via the DIX-domain protein CCD1
To be Published
6OD7
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HERPES SIMPLEX VIRUS TYPE 1 (HSV-1) PUL6 PORTAL PROTEIN, DODECAMERIC COMPLEX
分子名称:Portal protein
著者Liu, Y.T., Jih, J., Dai, X.H., Bi, G.Q., Zhou, Z.H.
登録日2019-03-26
公開日2019-06-19
最終更新日2019-06-26
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Cryo-EM structures of herpes simplex virus type 1 portal vertex and packaged genome.
Nature, 570, 2019
6ODM
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HERPES SIMPLEX VIRUS TYPE 1 (HSV-1) PORTAL VERTEX-ADJACENT CAPSID/CATC, ASYMMETRIC UNIT
分子名称:Major capsid protein, Small capsomere-interacting protein, Triplex capsid protein 1, ...
著者Liu, Y.T., Jih, J., Dai, X.H., Bi, G.Q., Zhou, Z.H.
登録日2019-03-26
公開日2019-06-19
最終更新日2019-06-26
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryo-EM structures of herpes simplex virus type 1 portal vertex and packaged genome.
Nature, 570, 2019
3PZ8
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CRYSTAL STRUCTURE OF DVL1-DIX(Y17D) MUTANT
分子名称:Segment polarity protein dishevelled homolog DVL-1
著者Dan, Q.J., Chen, L., Zhang, Y.Y., Liu, Y.T., Wu, J.W.
登録日2010-12-14
公開日2010-12-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.873 Å)
主引用文献Molecular basis of WNT activation via the DIX-domain protein CCD1
To be Published
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
6A96
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CRYO-EM STRUCTURE OF THE HUMAN ALPHA5BETA3 GABAA RECEPTOR IN COMPLEX WITH GABA AND NB25
分子名称:Nb25, Gamma-aminobutyric acid receptor subunit beta-3,Gamma-aminobutyric acid receptor subunit beta-3, Gamma-aminobutyric acid receptor subunit alpha-5,Gamma-aminobutyric acid receptor subunit alpha-5, ...
著者Liu, S., Xu, L., Guan, F., Liu, Y.T., Cui, Y., Zhang, Q., Bi, G.Q., Zhou, Z.H., Zhang, X., Ye, S.
登録日2018-07-11
公開日2018-10-03
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Cryo-EM structure of the human alpha 5 beta 3 GABAAreceptor.
Cell Res., 28, 2018
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
3GEN
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THE 1.6 A CRYSTAL STRUCTURE OF HUMAN BRUTON'S TYROSINE KINASE BOUND TO A PYRROLOPYRIMIDINE-CONTAINING COMPOUND
分子名称:Tyrosine-protein kinase BTK, 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane
著者Marcotte, D.J., Liu, Y.T., Arduini, R.M., Hession, C.A., Miatkowski, K., Wildes, C.P., Cullen, P.F., Hopkins, B., Mertsching, E., Jenkins, T.J., Romanowski, M.J., Baker, D.P., Silvian, L.F.
登録日2009-02-25
公開日2010-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases.
Protein Sci., 19, 2010
4QSG
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CRYSTAL STRUCTURE OF GAS VESICLE PROTEIN GVPF FROM MICROCYSTIS AERUGINOSA
分子名称:Gas vesicle protein
著者Xu, B.Y., Dai, Y.N., Zhou, K., Ren, Y.M., Liu, Y.T., Chen, Y., Zhou, C.Z.
登録日2014-07-03
公開日2014-11-12
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of the gas vesicle protein GvpF from the cyanobacterium Microcystis aeruginosa
Acta Crystallogr.,Sect.D, 70, 2014
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
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
3K54
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STRUCTURES OF HUMAN BRUTON'S TYROSINE KINASE IN ACTIVE AND INACTIVE CONFORMATIONS SUGGESTS A MECHANISM OF ACTIVATION FOR TEC FAMILY KINASES.
分子名称:Tyrosine-protein kinase BTK, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
著者Marcotte, D.J., Liu, Y.-T., Arduini, R.M., Hession, C.A., Miatkowski, K., Wildes, C.P., Cullen, P.F., Hopkins, B.T., Mertsching, E., Jenkins, T.J., Romanowski, M.J., Baker, D.P., Silvian, L.F.
登録日2009-10-06
公開日2010-01-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases.
Protein Sci., 19, 2010
2O8M
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CRYSTAL STRUCTURE OF THE S139A MUTANT OF HEPATITIS C VIRUS NS3/4A PROTEASE
分子名称:Protease, ZINC ION, SODIUM ION
著者Fischmann, T.O., Prongay, A.J., Madison, V.M., Yao, N.
登録日2006-12-12
公開日2007-10-09
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 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
3Q47
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CRYSTAL STRUCTURE OF TPR DOMAIN OF CHIP COMPLEXED WITH PSEUDOPHOSPHORYLATED SMAD1 PEPTIDE
分子名称:STIP1 homology and U box-containing protein 1, Smad1 peptide
著者Wang, L., Chen, L., Wu, J.W.
登録日2010-12-23
公開日2011-03-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Molecular Mechanism of the Negative Regulation of Smad1/5 Protein by Carboxyl Terminus of Hsc70-interacting Protein (CHIP).
J.Biol.Chem., 286, 2011
3Q49
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CRYSTAL STRUCTURE OF THE TPR DOMAIN OF CHIP COMPLEXED WITH HSP70-C PEPTIDE
分子名称:STIP1 homology and U box-containing protein 1, Hsp70-C peptide
著者Wang, L., Chen, L., Wu, J.W.
登録日2010-12-23
公開日2011-03-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.543 Å)
主引用文献Molecular Mechanism of the Negative Regulation of Smad1/5 Protein by Carboxyl Terminus of Hsc70-interacting Protein (CHIP).
J.Biol.Chem., 286, 2011
3Q4A
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CRYSTAL STRUCTURE OF THE TPR DOMAIN OF CHIP COMPLEXED WITH PHOSPHORYLATED SMAD1 PEPTIDE
分子名称:STIP1 homology and U box-containing protein 1, Smad1 peptide
著者Wang, L., Chen, L., Wu, J.W.
登録日2010-12-23
公開日2011-03-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.542 Å)
主引用文献Molecular Mechanism of the Negative Regulation of Smad1/5 Protein by Carboxyl Terminus of Hsc70-interacting Protein (CHIP).
J.Biol.Chem., 286, 2011
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
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