Author results

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
1TKX
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745
分子名称:Pol polyprotein, Reverse transcriptase, Chain A, ...
著者Ren, J., Hopkins, A.L., Stuart, D.I., Stammers, D.K.
登録日2004-06-09
公開日2004-12-07
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 2.
J.Med.Chem., 47, 2004
1JLQ
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 739W94
分子名称:HIV-1 RT, A-CHAIN, B-CHAIN, ...
著者Ren, J., Stuart, D.I., Stammers, D.K.
登録日2001-07-16
公開日2001-08-22
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1.
J.Med.Chem., 44, 2001
3DCT
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FXR WITH SRC1 AND GW4064
分子名称:Bile acid receptor, Nuclear receptor coactivator 1, 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
著者Williams, S.P., Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3DCU
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FXR WITH SRC1 AND GSK8062
分子名称:Bile acid receptor, Nuclear receptor coactivator 1, 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid
著者Williams, S.P., Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3GD2
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ISOXAZOLE LIGAND BOUND TO FARNESOID X RECEPTOR (FXR)
分子名称:Bile acid receptor, activator peptide, 3-[(E)-2-(2-chloro-4-{[3-{[(R)-(2,6-dichlorophenyl)(hydroxy)-lambda~4~-sulfanyl]methyl}-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
著者Madauss, K.P., Williams, S.P., Deaton, D.N., Wisely, G.B., Mcfadyen, R.B.
登録日2009-02-23
公開日2009-07-07
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064.
Bioorg.Med.Chem.Lett., 19, 2009
3HC5
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FXR WITH SRC1 AND GSK826
分子名称:Bile acid receptor, Nuclear receptor coactivator 1, 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, ...
著者Williams, S.P., Madauss, K.P.
登録日2009-05-05
公開日2009-07-21
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3HC6
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FXR WITH SRC1 AND GSK088
分子名称:Bile acid receptor, Nuclear receptor coactivator 1, 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, ...
著者Williams, S.P., Madauss, K.P.
登録日2009-05-05
公開日2009-07-21
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3P88
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FXR BOUND TO ISOQUINOLINECARBOXYLIC ACID
分子名称:Farnesoid X receptor, Nuclear receptor coactivator 1, 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, ...
著者Madauss, K.P., Williams, S.P., Deaton, D.N.
登録日2010-10-13
公開日2011-08-31
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
3P89
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FXR BOUND TO A QUINOLINECARBOXYLIC ACID
分子名称:Farnesoid X receptor, Nuclear receptor coactivator 1, 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, ...
著者Madauss, K.P., Williams, S.P., Deaton, D.N.
登録日2010-10-13
公開日2011-08-31
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
3RUT
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FXR WITH SRC1 AND GSK359
分子名称:Bile acid receptor, Nuclear receptor coactivator 1, SULFATE ION, ...
著者Williams, S.P., Madauss, K.P.
登録日2011-05-05
公開日2011-09-21
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3RUU
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FXR WITH SRC1 AND GSK237
分子名称:Bile acid receptor, Nuclear receptor coactivator 1, SULFATE ION, ...
著者Williams, S.P., Madauss, K.P.
登録日2011-05-05
公開日2011-09-21
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
3RVF
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FXR WITH SRC1 AND GSK2034
分子名称:Bile acid receptor, Nuclear receptor coactivator 1, SULFATE ION, ...
著者Williams, S.P., Madauss, K.P.
登録日2011-05-06
公開日2011-09-21
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
1S1T
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CRYSTAL STRUCTURE OF L100I MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781
分子名称:Reverse transcriptase, PHOSPHATE ION, 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE
著者Ren, J., Nichols, C.E., Chamberlain, P.P., Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1U
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CRYSTAL STRUCTURE OF L100I MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
分子名称:Reverse transcriptase, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
著者Ren, J., Nichols, C.E., Chamberlain, P.P., Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1V
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CRYSTAL STRUCTURE OF L100I MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-651
分子名称:Reverse transcriptase, 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
著者Ren, J., Nichols, C.E., Chamberlain, P.P., Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1W
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CRYSTAL STRUCTURE OF V106A MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781
分子名称:Reverse transcriptase, 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE
著者Ren, J., Nichols, C.E., Chamberlain, P.P., Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1S1X
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CRYSTAL STRUCTURE OF V108I MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
分子名称:Reverse transcriptase, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
著者Ren, J., Nichols, C.E., Chamberlain, P.P., Stammers, D.K.
登録日2004-01-07
公開日2004-06-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of HIV-1 reverse transcriptases mutated at codons 100, 106 and 108 and mechanisms of resistance to non-nucleoside inhibitors
J.Mol.Biol., 336, 2004
1TKT
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318
分子名称:Pol polyproteins [Reverse transcriptase], Chain A, Chain B, ...
著者Hopkins, A.L., Ren, J., Stuart, D.I., Stammers, D.K.
登録日2004-06-09
公開日2004-12-07
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
1TKZ
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW429576
分子名称:Pol polyprotein, Reverse transcriptase, Chain A, ...
著者Hopkins, A.L., Ren, J., Stuart, D.I., Stammers, D.K.
登録日2004-06-09
公開日2004-12-07
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
1TL1
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW451211
分子名称:Pol polyprotein, Reverse transcriptase, Chain A, ...
著者Hopkins, A.L., Ren, J., Stuart, D.I., Stammers, D.K.
登録日2004-06-09
公開日2004-12-07
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
1TL3
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW450557
分子名称:Pol polyprotein, Reverse transcriptase, Chain A, ...
著者Hopkins, A.L., Ren, J., Stuart, D.I., Stammers, D.K.
登録日2004-06-09
公開日2004-12-07
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
1LW0
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CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
分子名称:HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
著者Ren, J., Chamberlain, P.P., Nichols, C.E., Douglas, L., Stuart, D.I., Stammers, D.K.
登録日2002-05-30
公開日2002-10-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
1LW2
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CRYSTAL STRUCTURE OF T215Y MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 1051U91
分子名称:HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION, 6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE
著者Ren, J., Chamberlain, P.P., Nichols, C.E., Douglas, L., Stuart, D.I., Stammers, D.K.
登録日2002-05-30
公開日2002-10-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
1LWC
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CRYSTAL STRUCTURE OF M184V MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH NEVIRAPINE
分子名称:HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE
著者Ren, J., Chamberlain, P.P., Nichols, C.E., Douglas, L., Stuart, D.I., Stammers, D.K.
登録日2002-05-31
公開日2002-10-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Crystal structures of Zidovudine- or Lamivudine-resistant human immunodeficiency virus type 1 reverse transcriptases containing mutations at codons 41, 184, and 215.
J.Virol., 76, 2002
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