Author results

2PZY
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STRUCTURE OF MK2 COMPLEXED WITH COMPOUND 76
Descriptor: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
Authors: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.
Deposit date:2007-05-18
Release date:2007-07-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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]
Descriptor:Serine protease NS3, (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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]
Descriptor:Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid, CALCIUM ION
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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]
Descriptor:Serine protease NS3, CALCIUM ION, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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]
Descriptor:Serine protease NS3, CALCIUM ION, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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]
Descriptor:Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid, CALCIUM ION
Authors:Padyana, A.K.
Deposit date:2014-01-22
Release date:2014-03-05
Last modified:2014-04-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor:Collagenase 3, ethyl 5-carbamoyl-1H-indole-2-carboxylate, ZINC ION, ...
Authors:Farrow, N.A., Padyana, A.K.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Farrow, N.A.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (2.03 Å)
Cite: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
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Farrow, N.A., Margarit, S.M.
Deposit date:2015-05-27
Release date:2015-06-17
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite: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
Descriptor:Chymase, ZINC ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Collins, B.K., Padyana, A.K.
Deposit date:2013-04-09
Release date:2013-05-29
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor:Chymase, N-ACETYL-D-GLUCOSAMINE, ZINC ION, ...
Authors:Collins, B.K., Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor:Chymase, N-ACETYL-D-GLUCOSAMINE, ZINC ION, ...
Authors:Collins, B.K., Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor:Chymase, ZINC ION, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Collins, B.K., Padyana, A.K.
Deposit date:2013-04-15
Release date:2013-05-29
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Potent, Selective Chymase Inhibitors via Fragment Linking Strategies.
J.Med.Chem., 56, 2013