Author results

1UY6
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HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UY7
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HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(4-METHOXY-BENZYL)-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN-6-AMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UY8
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HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3-TRIMETHOXY-BENZYL)-9H-PURIN-6YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN-6-AMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UY9
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HUMAN HSP90-ALPHA WITH 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYC
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HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYD
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HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYE
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HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYF
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HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYG
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HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYH
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HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYI
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HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-YLAMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYK
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HUMAN HSP90-ALPHA WITH 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYL
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STRUCTURE-ACTIVITY RELATIONSHIPS IN PURINE-BASED INHIBITOR BINDING TO HSP90 ISOFORMS
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
1UYM
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HUMAN HSP90-BETA WITH PU3 (9-BUTYL-8(3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE)
Descriptor:HEAT SHOCK PROTEIN HSP 90-BETA, 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE
Authors:Wright, L., Barril, X., Dymock, B., Sheridan, L., Surgenor, A., Beswick, M., Drysdale, M., Collier, A., Massey, A., Davies, N., Fink, A., Fromont, C., Aherne, W., Boxall, K., Sharp, S., Workman, P., Hubbard, R.E.
Deposit date:2004-03-02
Release date:2004-08-17
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Activity Relationships in Purine-Based Inhibitor Binding to Hsp90 Isoforms
Chem.Biol., 11, 2004
2BZ5
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STRUCTURE-BASED DISCOVERY OF A NEW CLASS OF HSP90 INHIBITORS
Descriptor:HEAT SHOCK PROTEIN HSP90-ALPHA, 2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE
Authors:Barril, X., Brough, P., Drysdale, M., Hubbard, R.E., Massey, A., Surgenor, A., Wright, L.
Deposit date:2005-08-11
Release date:2005-10-12
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Discovery of a New Class of Hsp90 Inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
2UWD
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INHIBITION OF THE HSP90 MOLECULAR CHAPERONE IN VITRO AND IN VIVO BY NOVEL, SYNTHETIC, POTENT RESORCINYLIC PYRAZOLE, ISOXAZOLE AMIDE ANALOGS
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, SULFATE ION, ...
Authors:Sharp, S.Y., Prodromou, C., Boxall, K., Powers, M.V., Holmes, J.L., Box, G., Matthews, T.P., Cheung, K.M., Kalusa, A., James, K., Hayes, A., Hardcastle, A., Dymock, B., Brough, P.A., Barril, X., Cansfield, J.E., Wright, L.M., Surgenor, A., Foloppe, N., Aherne, W., Pearl, L., Jones, K., McDonald, E., Raynaud, F., Eccles, S., Drysdale, M., Workman, P.
Deposit date:2007-03-20
Release date:2007-04-24
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of the heat shock protein 90 molecular chaperone in vitro and in vivo by novel, synthetic, potent resorcinylic pyrazole/isoxazole amide analogues.
Mol. Cancer Ther., 6, 2007
4FCP
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TARGETTING CONSERVED WATER MOLECULES: DESIGN OF 4-ARYL-5-CYANOPYRROLO [2,3-D] PYRIMIDINE HSP90 INHIBITORS USING FRAGMENT-BASED SCREENING AND STRUCTURE-BASED OPTIMIZATION
Descriptor:Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine
Authors:Davies, N.G.M., Browne, H., Davies, B., Foloppe, N., Geoffrey, S., Gibbons, B., Hart, T., Drysdale, M., Mansell, H., Massey, A., Matassova, N., Moore, J.D., Murray, J., Pratt, R., Ray, S., Roughley, S.D., Jensen, M.R., Schoepfer, J., Scriven, K., Simmonite, H., Stokes, S., Surgenor, A., Webb, P., Wright, L., Brough, P.
Deposit date:2012-05-25
Release date:2012-10-24
Last modified:2012-11-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization.
Bioorg.Med.Chem., 20, 2012
4UAK
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MRCK BETA IN COMPLEX WITH ADP
Descriptor:Serine/threonine-protein kinase MRCK beta, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2014-08-10
Release date:2014-10-22
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
4UAL
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MRCK BETA IN COMPLEX WITH BDP00005290
Descriptor:Serine/threonine-protein kinase MRCK beta, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2014-08-10
Release date:2014-10-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
6I0Z
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CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 1
Descriptor:Fascin, ~{N}-(2,4-dichlorophenyl)-~{N}-methyl-ethanamide
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I10
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CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 2
Descriptor:Fascin, 1-[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]-5-[(3,4-dichlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-one, ACETATE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I11
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CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 3
Descriptor:Fascin, ACETATE ION, ~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I12
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CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 5
Descriptor:Fascin, ACETATE ION, 2-[(4-chlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I13
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CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 7
Descriptor:Fascin, ACETATE ION, 1,2-ETHANEDIOL, ...
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
6I14
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CRYSTAL STRUCTURE OF FASCIN IN COMPLEX WITH COMPOUND 9
Descriptor:Fascin, ACETATE ION, 2-[(3,4-dichlorophenyl)methyl]-~{N}-(1-methylpyrazol-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide
Authors:Schuettelkopf, A.W.
Deposit date:2018-10-27
Release date:2019-02-27
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-based design, synthesis and biological evaluation of a novel series of isoquinolone and pyrazolo[4,3-c]pyridine inhibitors of fascin 1 as potential anti-metastatic agents.
Bioorg.Med.Chem.Lett., 29, 2019
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