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3R02
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THE DISCOVERY OF NOVEL BENZOFURAN-2-CARBOXYLIC ACIDS AS POTENT PIM-1 INHIBITORS
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid, IMIDAZOLE
Authors:Xiang, Y., Hirth, B., Asmussen, G., Biemann, H.-P., Good, A., Fitzgerald, M., Gladysheva, T., Jancsics, K., Liu, J., Metz, M., Papoulis, A., Skerlj, R., Stepp, D.J., Wei, R.R.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3R04
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THE DISCOVERY OF NOVEL BENZOFURAN-2-CARBOXYLIC ACIDS AS POTENT PIM-1 INHIBITORS
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid, IMIDAZOLE
Authors:Xiang, Y., Hirth, B., Asmussen, G., Biemann, H.-P., Good, A., Fitzgerald, M., Gladysheva, T., Jancsics, K., Liu, J., Metz, M., Papoulis, A., Skerlj, R., Stepp, D.J., Wei, R.R.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
5LVX
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CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE WITH AN INHIBITORY QUINAZOLINE MODULATOR
Descriptor:Glucosylceramidase, N-ACETYL-D-GLUCOSAMINE, BETA-D-MANNOSE, ...
Authors:Zheng, J., Chen, L., Skinner, O.S., Lansbury, P., Skerlj, R., Mrosek, M., Heunisch, U., Krapp, S., Weigand, S., Charrow, J., Schwake, M., Kelleher, N.L., Silverman, R.B., Krainc, D.
Deposit date:2016-09-14
Release date:2017-10-25
Last modified:2018-05-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:beta-Glucocerebrosidase Modulators Promote Dimerization of beta-Glucocerebrosidase and Reveal an Allosteric Binding Site.
J. Am. Chem. Soc., 140, 2018
3O8A
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CRYSTAL STRUCTURE OF PLASMODIUM FALCIPARUM DIHYDROOROTATE DEHYDROGENASE BOUND WITH NOVEL INHIBITOR GENZ667348
Descriptor:Dihydroorotate dehydrogenase homolog, mitochondrial, N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide, ...
Authors:Deng, X., Booker, M.L., Phillips, M.A.
Deposit date:2010-08-02
Release date:2010-08-18
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with anti-malarial activity in the mouse model.
J.Biol.Chem., 285, 2010
3R00
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THE DISCOVERY OF NOVEL BENZOFURAN-2-CARBOXYLIC ACIDS AS POTENT PIM-1 INHIBITORS
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, IMIDAZOLE, 5-bromo-1-benzofuran-2-carboxylic acid
Authors:Liu, J.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3R01
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THE DISCOVERY OF NOVEL BENZOFURAN-2-CARBOXYLIC ACIDS AS POTENT PIM-1 INHIBITORS
Descriptor:Proto-oncogene serine/threonine-protein kinase pim-1, IMIDAZOLE, 5-bromo-7-methoxy-1-benzofuran-2-carboxylic acid
Authors:Liu, J.
Deposit date:2011-03-07
Release date:2011-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3VBQ
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EXPLOITATION OF HYDROGEN BONDING CONSTRAINTS AND FLAT HYDROPHOBIC ENERGY LANDSCAPES IN PIM-1 KINASE NEEDLE SCREENING AND INHIBITOR DESIGN
Descriptor:Serine/threonine-protein kinase pim-1, 5-(3-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}benzyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBT
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EXPLOITATION OF HYDROGEN BONDING CONSTRAINTS AND FLAT HYDROPHOBIC ENERGY LANDSCAPES IN PIM-1 KINASE NEEDLE SCREENING AND INHIBITOR DESIGN
Descriptor:Serine/threonine-protein kinase pim-1, 4-chloro-2-(1H-pyrazol-3-yl)phenol
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBV
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EXPLOITATION OF HYDROGEN BONDING CONSTRAINTS AND FLAT HYDROPHOBIC ENERGY LANDSCAPES IN PIM-1 KINASE NEEDLE SCREENING AND INHIBITOR DESIGN
Descriptor:Serine/threonine-protein kinase pim-1, 8-hydroxyquinoline-2-carboxamide
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBW
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EXPLOITATION OF HYDROGEN BONDING CONSTRAINTS AND FLAT HYDROPHOBIC ENERGY LANDSCAPES IN PIM-1 KINASE NEEDLE SCREENING AND INHIBITOR DESIGN
Descriptor:Serine/threonine-protein kinase pim-1, 1,3-dioxo-2,3-dihydro-1H-indene-2-carbonitrile
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBX
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EXPLOITATION OF HYDROGEN BONDING CONSTRAINTS AND FLAT HYDROPHOBIC ENERGY LANDSCAPES IN PIM-1 KINASE NEEDLE SCREENING AND INHIBITOR DESIGN
Descriptor:Serine/threonine-protein kinase pim-1, 6-bromo-4-hydroxy-2H-chromen-2-one
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2018-06-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VBY
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EXPLOITATION OF HYDROGEN BONDING CONSTRAINTS AND FLAT HYDROPHOBIC ENERGY LANDSCAPES IN PIM-1 KINASE NEEDLE SCREENING AND INHIBITOR DESIGN
Descriptor:Serine/threonine-protein kinase pim-1, furan-2-yl(1H-indol-3-yl)methanone, IMIDAZOLE
Authors:Liu, J.
Deposit date:2012-01-02
Release date:2012-03-21
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012
3VC4
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EXPLOITATION OF HYDROGEN BONDING CONSTRAINTS AND FLAT HYDROPHOBIC ENERGY LANDSCAPES IN PIM-1 KINASE NEEDLE SCREENING AND INHIBITOR DESIGN
Descriptor:Serine/threonine-protein kinase pim-1, IMIDAZOLE, (5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione
Authors:Liu, J.
Deposit date:2012-01-03
Release date:2012-03-21
Last modified:2012-05-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.
J.Med.Chem., 55, 2012