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2PZY
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STRUCTURE OF MK2 COMPLEXED WITH COMPOUND 76
分子名称:MAP kinase-activated protein kinase 2, (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE, STAUROSPORINE
著者White, A., Wu, J.P., Wang, J., Abeywardane, A., Andersen, D., Emmanuel, M., Gautschi, E., Goldberg, D.R., Kashem, M.A., Lukas, S., Mao, W., Martin, L., Morwick, T., Moss, N., Pargellis, C., Patel, U.R., Patnaude, L., Peet, G.W., Skow, D., Snow, R.J., Ward, Y., Werneburg, B.
登録日2007-05-18
公開日2007-07-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The discovery of carboline analogs as potent MAPKAP-K2 inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
4OJQ
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS3 HELICASE INHIBITOR CO-COMPLEX WITH FRAGMENT 1 [(5-BROMO-1H-INDOL-3-YL)ACETIC ACID]
分子名称:Serine protease NS3, (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK3
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS3 HELICASE INHIBITOR CO-COMPLEX WITH COMPOUND 7 [[1-(3-CHLOROBENZYL)-1H-INDOL-3-YL]ACETIC ACID]
分子名称:Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid, CALCIUM ION
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK5
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS3 HELICASE INHIBITOR CO-COMPLEX WITH COMPOUND 9 [1-(3-ETHYNYLBENZYL)-1H-INDOL-3-YL]ACETIC ACID]
分子名称:Serine protease NS3, CALCIUM ION, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OK6
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS3 HELICASE INHIBITOR CO-COMPLEX WITH COMPOUND 13 [[1-(2-METHOXY-5-NITROBENZYL)-1H-INDOL-3-YL]ACETIC ACID]
分子名称:Serine protease NS3, CALCIUM ION, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
著者Padyana, A.K.
登録日2014-01-21
公開日2014-03-05
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4OKS
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CRYSTAL STRUCTURE OF HEPATITIS C VIRUS NS3 HELICASE INHIBITOR CO-COMPLEX WITH COMPOUND 19 [[6-(3,5-DIAMINOPHENYL)-1-(2-METHOXY-5-NITROBENZYL)-1H-INDOL-3-YL]ACETIC ACID]
分子名称:Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid, CALCIUM ION
著者Padyana, A.K.
登録日2014-01-22
公開日2014-03-05
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
5BOT
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X-RAY CO-STRUCTURE OF MMP-13 WITH ETHYL 5-CARBAMOYL-1H-INDOLE-2-CARBOXYLATE
分子名称:Collagenase 3, ethyl 5-carbamoyl-1H-indole-2-carboxylate, ZINC ION, ...
著者Farrow, N.A., Padyana, A.K.
登録日2015-05-27
公開日2015-06-17
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BOY
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X-RAY CO-STRUCTURE OF MMP-13 WITH ETHYL 5-(1-METHYL-1H-IMIDAZOL-5-YL)-1H-INDOLE-2-CARBOXYLATE
分子名称:Collagenase 3, ZINC ION, CALCIUM ION, ...
著者Farrow, N.A.
登録日2015-05-27
公開日2015-06-17
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
5BPA
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X-RAY CO-STRUCTURE OF MMP-13 WITH 4-[({5-[2-(ETHOXYCARBONYL)-1H-INDOL-5-YL]-1-METHYL-1H-PYRAZOL-3-YL}FORMAMIDO)METHYL]BENZOATE
分子名称:Collagenase 3, ZINC ION, CALCIUM ION, ...
著者Farrow, N.A., Margarit, S.M.
登録日2015-05-27
公開日2015-06-17
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
J. Med. Chem., 54, 2011
4K2Y
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CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH FRAGMENT INHIBITOR 6-CHLORO-1,3-DIHYDRO-2H-INDOL-2-ONE
分子名称:Chymase, ZINC ION, N-ACETYL-D-GLUCOSAMINE, ...
著者Collins, B.K., Padyana, A.K.
登録日2013-04-09
公開日2013-05-29
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K5Z
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CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH FRAGMENT INHIBITOR 6-CHLORO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
分子名称:Chymase, N-ACETYL-D-GLUCOSAMINE, ZINC ION, ...
著者Collins, B.K., Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K60
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CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH FRAGMENT 6-BROMO-1,3-DIHYDRO-2H-INDOL-2-ONE
分子名称:Chymase, N-ACETYL-D-GLUCOSAMINE, ZINC ION, ...
著者Collins, B.K., Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013
4K69
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CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH FRAGMENT LINKED BENZIMIDAZOLONE INHIBITOR: (3S)-3-{3-[(6-BROMO-2-OXO-2,3-DIHYDRO-1H-INDOL-4-YL)METHYL]-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL}HEXANOIC ACID
分子名称:Chymase, ZINC ION, N-ACETYL-D-GLUCOSAMINE, ...
著者Collins, B.K., Padyana, A.K.
登録日2013-04-15
公開日2013-05-29
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013