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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
5J3P
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN TYROSYL DNA PHOSPHODIESTERASE 2
分子名称:Tyrosyl-DNA phosphodiesterase 2, MAGNESIUM ION, GLYCEROL
著者Hornyak, P., Pearl, L.H., Caldecott, K.W., Oliver, A.W.
登録日2016-03-31
公開日2016-05-04
最終更新日2016-07-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
5J3S
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN TYROSYL DNA PHOSPHODIESTERASE 2 IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
分子名称:Tyrosyl-DNA phosphodiesterase 2, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile
著者Hornyak, P., Pearl, L.H., Caldecott, K.W., Oliver, A.W.
登録日2016-03-31
公開日2016-05-04
最終更新日2016-07-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
5J3Z
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CRYSTAL STRUCTURE OF M2HTDP2-CAT IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
分子名称:Tyrosyl-DNA phosphodiesterase 2, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, MAGNESIUM ION, ...
著者Hornyak, P., Pearl, L.H., Caldecott, K.W., Oliver, A.W.
登録日2016-03-31
公開日2016-05-04
最終更新日2016-07-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016
5J42
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CRYSTAL STRUCTURE OF M2HTDP2-CAT IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
分子名称:Tyrosyl-DNA phosphodiesterase 2, 10-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, L(+)-TARTARIC ACID, ...
著者Hornyak, P., Pearl, L.H., Caldecott, K.W., Oliver, A.W.
登録日2016-03-31
公開日2016-05-04
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2.
Biochem.J., 473, 2016