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
1Y6A
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CRYSTAL STRUCTURE OF VEGFR2 IN COMPLEX WITH A 2-ANILINO-5-ARYL-OXAZOLE INHIBITOR
分子名称:Vascular endothelial growth factor receptor 2, N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE
著者Harris, P.A., Cheung, M., Hunter, R.N., Brown, M.L., Veal, J.M., Nolte, R.T., Wang, L., Liu, W., Crosby, R.M., Johnson, J.H., Epperly, A.H., Kumar, R., Luttrell, D.K., Stafford, J.A.
登録日2004-12-05
公開日2005-06-07
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
1Y6B
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CRYSTAL STRUCTURE OF VEGFR2 IN COMPLEX WITH A 2-ANILINO-5-ARYL-OXAZOLE INHIBITOR
分子名称:Vascular endothelial growth factor receptor 2, N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE
著者Harris, P.A., Cheung, M., Hunter, R.N., Brown, M.L., Veal, J.M., Nolte, R.T., Wang, L., Liu, W., Crosby, R.M., Johnson, J.H., Epperly, A.H., Kumar, R., Luttrell, D.K., Stafford, J.A.
登録日2004-12-05
公開日2005-06-07
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
4KAI
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HCV NS5B GT1B N316 WITH GSK5852A
分子名称:HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-04-22
公開日2013-05-08
最終更新日2018-12-12
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KB7
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HCV NS5B GT1B N316Y WITH CMPD 32
分子名称:HCV Polymerase, 5-cyclopropyl-2-(4-fluorophenyl)-6-[{2-[(3R)-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl]ethyl}(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-04-23
公開日2013-05-08
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KBI
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HCV NS5B GT1B N316Y WITH CMPD 4
分子名称:HCV Polymerase, 5-cyclopropyl-6-{[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)methyl](methylsulfonyl)amino}-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-04-23
公開日2013-05-08
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KE5
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HCV NS5B GT1B N316Y WITH GSK5852
分子名称:HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-04-25
公開日2013-05-15
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KHM
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HCV NS5B GT1A WITH GSK5852
分子名称:HCV Polymerase, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid, SULFATE ION
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-04-30
公開日2013-05-15
最終更新日2014-03-26
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
4KHR
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HCV NS5B GT1A C316Y WITH GSK5852
分子名称:NS5B RNA-dependent RNA polymerase, SULFATE ION, [4-({[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}methyl)-2-fluorophenyl]boronic acid
著者Williams, S.P., Kahler, K.M., Shotwell, J.B.
登録日2013-05-01
公開日2013-05-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of a Potent Boronic Acid Derived Inhibitor of the HCV RNA-Dependent RNA Polymerase.
J.Med.Chem., 57, 2014
3CJF
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CRYSTAL STRUCTURE OF VEGFR2 IN COMPLEX WITH A 3,4,5-TRIMETHOXY ANILINE CONTAINING PYRIMIDINE
分子名称:Vascular endothelial growth factor receptor 2, SULFATE ION, N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
著者Nolte, R.T.
登録日2008-03-12
公開日2008-10-07
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
3CJG
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CRYSTAL STRUCTURE OF VEGFR2 IN COMPLEX WITH A 3,4,5-TRIMETHOXY ANILINE CONTAINING PYRIMIDINE
分子名称:Vascular endothelial growth factor receptor 2, SULFATE ION, N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
著者Nolte, R.T.
登録日2008-03-12
公開日2008-10-07
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008