Author results

3WCE
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THE COMPLEX STRUCTURE OF TCSQS WITH LIGAND, ER119884
分子名称:Farnesyltransferase, putative, (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol
著者Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Ren, F., Zheng, Y., Zhu, Z., Chen, C.C., Guo, R.T.
登録日2013-05-27
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCF
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THE COMPLEX STRUCTURE OF HSSQS WTIH LIGAND,BPH1218
分子名称:Squalene synthase, hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
著者Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Ren, F., Zheng, Y., Zhu, Z., Chen, C.C., Guo, R.T.
登録日2013-05-27
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCG
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THE COMPLEX STRUCTURE OF TCSQS WITH LIGAND, BPH1344
分子名称:Farnesyltransferase, putative, hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
著者Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Ren, F., Zheng, Y., Zhu, Z., Chen, C.C., Guo, R.T.
登録日2013-05-27
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCH
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THE COMPLEX STRUCTURE OF HSSQS WTIH LIGAND BPH1237
分子名称:Squalene synthase, hydrogen [(1R)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-hydroxy-1-phosphonoethyl]phosphonate
著者Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Ren, F., Zheng, Y., Zhu, Z., Chen, C.C., Guo, R.T.
登録日2013-05-27
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCI
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THE COMPLEX STRUCTURE OF HSSQS WTIH LIGAND,BPH1325
分子名称:Squalene synthase, hydrogen [(1R)-1-hydroxy-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
著者Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Ren, F., Zheng, Y., Zhu, Z., Chen, C.C., Guo, R.T.
登録日2013-05-27
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCJ
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THE COMPLEX STRUCTURE OF HSSQS WTIH LIGAND,E5700
分子名称:Squalene synthase, (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol
著者Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Ren, F., Zheng, Y., Zhu, Z., Chen, C.C., Guo, R.T.
登録日2013-05-27
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCL
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THE COMPLEX STRUCTURE OF HSSQS WTIH LIGAND,BPH1344
分子名称:Squalene synthase, hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
著者Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Ren, F., Zheng, Y., Zhu, Z., Chen, C.C., Guo, R.T.
登録日2013-05-28
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
3WCM
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THE COMPLEX STRUCTURE OF HSSQS WTIH LIGAND, ER119884
分子名称:Squalene synthase, (3R)-3-{[2-benzyl-6-(3-methoxypropoxy)pyridin-3-yl]ethynyl}-1-azabicyclo[2.2.2]octan-3-ol
著者Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Ren, F., Zheng, Y., Zhu, Z., Chen, C.C., Guo, R.T.
登録日2013-05-28
公開日2014-06-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Squalene synthase as a target for Chagas disease therapeutics.
Plos Pathog., 10, 2014
1NI1
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IMIDAZOLE AND CYANOPHENYL FARNESYL TRANSFERASE INHIBITORS
分子名称:Protein farnesyltransferase alpha subunit, Protein farnesyltransferase beta subunit, ZINC ION, ...
著者Tong, Y., Lin, N.H., Wang, L., Hasvold, L., Wang, W., Leonard, N., Li, T., Li, Q., Cohen, J., Gu, W.Z., Zhang, H., Stoll, V., Bauch, J., Marsh, K., Rosenberg, S.H., Sham, H.L.
登録日2002-12-20
公開日2004-04-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability.
Bioorg.Med.Chem.Lett., 13, 2003
2N7G
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STRUCTURE OF THE CYCLIC NUCLEOTIDE-BINDING HOMOLOGY DOMAIN OF THE HERG CHANNEL
分子名称:Potassium voltage-gated channel subfamily H member 2
著者Li, Y., Ng, H., Li, Q., Kang, C.
登録日2015-09-10
公開日2016-05-18
実験手法SOLUTION NMR
主引用文献Structure of the Cyclic Nucleotide-Binding Homology Domain of the hERG Channel and Its Insight into Type 2 Long QT Syndrome
Sci Rep, 6, 2016
2N7Q
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STRUCTURE OF THE TRANSMEMBRANE DOMAIN OF HUMAN NICASTRIN IN SDS MICELLES
分子名称:Nicastrin
著者Li, Y., Liew, L., Li, Q., Kang, C.
登録日2015-09-17
公開日2016-04-27
実験手法SOLUTION NMR
主引用文献Structure of the transmembrane domain of human nicastrin-a component of gamma-secretase
Sci Rep, 6, 2016
2N7R
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STRUCTURE OF THE TRANSMEMBRANE DOMAIN OF HUMAN NICASTRIN IN DPC MICELLES
分子名称:Nicastrin
著者Li, Y., Liew, L., Li, Q., Kang, C.
登録日2015-09-17
公開日2016-04-27
実験手法SOLUTION NMR
主引用文献Structure of the transmembrane domain of human nicastrin-a component of gamma-secretase
Sci Rep, 6, 2016
2UZT
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PKA STRUCTURES OF AKT, INDAZOLE-PYRIDINE INHIBITORS
分子名称:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
著者Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZU
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PKA STRUCTURES OF INDAZOLE-PYRIDINE SERIES OF AKT INHIBITORS
分子名称:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
著者Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZV
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PKA STRUCTURES OF INDAZOLE-PYRIDINE SERIES OF AKT INHIBITORS
分子名称:CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,, CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, ...
著者Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2UZW
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PKA STRUCTURES OF INDAZOLE-PYRIDINE SERIES OF AKT INHIBITORS
分子名称:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ...
著者Zhu, G.D., Gandhi, V.B., Gong, J., Thomas, S., Woods, K.W., Song, X., Li, T., Diebold, R.B., Luo, Y., Liu, X., Guan, R., Klinghofer, V., Johnson, E.F., Bouska, J., Olson, A., Marsh, K.C., Stoll, V.S., Mamo, M., Polakowski, J., Campbell, T.J., Penning, T.D., Li, Q., Rosenberg, S.H., Giranda, V.L.
登録日2007-05-01
公開日2007-06-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension.
J.Med.Chem., 50, 2007
2XCF
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR
分子名称:NS3 PROTEASE, NS4A, ZINC ION, ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Li, Q., Zhou, Y., Plattner, J.J., Baker, S.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., White, G.V., Mordaunt, J.E., Lazarides, L.X., Slater, M.J., Jarvest, R.L., Thommes, P., Ellis, M., Edge, C.M., Hubbard, J.A., Nassau, P., McDowell, B., Skarzynski, T.J., Rowland, P., Somers, D.O., Kazmierski, W.M., Grimes, R.M., Wright, L.L., Smith, G.K., Zou, W., Wright, J., Pennicott, L.E.
登録日2010-04-22
公開日2010-06-02
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XCN
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR
分子名称:NS3 PROTEASE, NS4A, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Li, Q., Zhou, Y., Plattner, J.J., Baker, S.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., White, G.V., Mordaunt, J.E., Lazarides, L.X., Slater, M.J., Jarvest, R.L., Thommes, P., Ellis, M., Edge, C.M., Hubbard, J.A., Nassau, P., McDowell, B., Skarzynski, T.J., Rowland, P., Somers, D.O., Kazmierski, W.M., Grimes, R.M., Wright, L.L., Smith, G.K., Zou, W., Wright, J., Pennicott, L.E.
登録日2010-04-23
公開日2010-06-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XNI
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PROTEIN-LIGAND COMPLEX OF A NOVEL MACROCYCLIC HCV NS3 PROTEASE INHIBITOR DERIVED FROM AMINO CYCLIC BORONATES
分子名称:NS3 PROTEASE, NS4A COFACTOR, (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Zhou, Y., Li, Q., Plattner, J.J., Baker, S.J., Zhang, S., Kazmierski, W.M., Wright, L.L., Smith, G.K., Grimes, R.M., Crosby, R.M., Creech, K.L., Carballo, L.H., Slater, M.J., Jarvest, R.L., Thommes, P., Hubbard, J.A., Convery, M.A., Nassau, P.M., McDowell, W., Skarzynski, T.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., Pennicott, L.E., Zou, W., Wright, J.
登録日2010-08-02
公開日2011-08-17
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
3QQ3
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CRYSTAL STRUCTURE OF SWINE MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I SLA-1 0401 AND IDENTIFICATION OF 2009 PANDEMIC SWINE-ORIGIN INFLUENZA A H1N1 VIRUS CYTOTOXIC T LYMPHOCYTE EPITOPE PEPTIDES
分子名称:MHC class I antigen, Beta-2-microglobulin, 9-mer peptide from Neuraminidase
著者Zhang, N., Qi, J., Gao, F., Pan, X., Chen, R., Li, Q., Chen, Z., Li, X., Xia, C., Gao, G.F.
登録日2011-02-15
公開日2011-12-28
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides.
J.Virol., 85, 2011
3QQ4
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CRYSTAL STRUCTURE OF SWINE MAJOR HISTOCOMPATIBILITY COMPLEX CLASS I SLA-1 0401 AND IDENTIFICATION OF 2009 PANDEMIC SWINE-ORIGIN INFLUENZA A H1N1 VIRUS CYTOTOXIC T LYMPHOCYTE EPITOPE PEPTIDES
分子名称:MHC class I antigen, Beta-2-microglobulin, VP35
著者Zhang, N., Qi, J., Gao, F., Pan, X., Chen, R., Li, Q., Chen, Z., Li, X., Xia, C., Gao, G.F.
登録日2011-02-15
公開日2011-12-28
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides.
J.Virol., 85, 2011
4H52
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WILD-TYPE INFLUENZA N2 NEURAMINIDASE COVALENT COMPLEX WITH 3-FLUORO-NEU5AC
分子名称:Neuraminidase, CALCIUM ION, N-ACETYL-D-GLUCOSAMINE, ...
著者Vavricka, C.J., Liu, Y., Kiyota, H., Sriwilaijaroen, N., Qi, J., Tanaka, K., Wu, Y., Li, Q., Li, Y., Yan, J., Suzuki, Y., Gao, G.F.
登録日2012-09-18
公開日2013-02-20
最終更新日2013-07-31
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors
Nat Commun, 4, 2013
4H53
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INFLUENZA N2-TYR406ASP NEURAMINIDASE IN COMPLEX WITH BETA-NEU5AC
分子名称:Neuraminidase, CALCIUM ION, N-ACETYL-D-GLUCOSAMINE, ...
著者Vavricka, C.J., Liu, Y., Kiyota, H., Sriwilaijaroen, N., Qi, J., Tanaka, K., Wu, Y., Li, Q., Li, Y., Yan, J., Suzuki, Y., Gao, G.F.
登録日2012-09-18
公開日2013-02-20
最終更新日2013-07-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Influenza neuraminidase operates via a nucleophilic mechanism and can be targeted by covalent inhibitors
Nat Commun, 4, 2013
5JM5
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CRYSTAL STRUCTURE OF AKR1C3 COMPLEXED WITH A PRO-DRUG
分子名称:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (1R)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate, ...
著者Wang, C., Wang, C., Li, Q., Wang, Z., Xie, W.
登録日2016-04-28
公開日2017-05-03
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献An AKR1C3 based Pro-drug TH3424 has potent anti-tumor activity against liver cancer
To Be Published
5YRP
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CRYSTAL STRUCTURE OF THE EAL DOMAIN OF MYCOBACTERIUM SMEGMATIS DCPA
分子名称:Sensory box/response regulator, MAGNESIUM ION
著者Chen, H.J., li, N., Luo, Y., Jiang, Y.L., Zhou, C.Z., Chen, Y., Li, Q.
登録日2017-11-09
公開日2018-05-09
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献The GDP-switched GAF domain of DcpA modulates the concerted synthesis/hydrolysis of c-di-GMP inMycobacterium smegmatis.
Biochem. J., 475, 2018