Author results

2YE2
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE3
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL VANILLATE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE4
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 1-(2,4-DIHYDROXY-PHENYL)-PROPAN-1-ONE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE5
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-METHOXY-BENZENE-1,3-DIOL
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE6
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-AMINO-BENZAMIDE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE7
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE8
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, METHYL 3-ISOXAZOL-5-YL-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YE9
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, N-[4-HYDROXY-3-(2-HYDROXYNAPHTHALEN-1-YL)PHENYL]THIOPHENE-2-SULFONAMIDE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-08-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEA
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(HYDROXYMETHYL)-2-METHOXYPHENOL
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEB
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 1H-INDAZOL-6-OL, CHLORIDE ION
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEC
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION, 3-METHYL-1H-INDAZOL-6-OL
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YED
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, CHLORIDE ION, ADENINE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEE
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION, 9-ETHYL-9H-PURIN-6-YLAMINE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-08-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEF
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEG
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 6-METHYLSULFANYL-9H-PURINE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEH
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION, N-(3-METHOXYPROPYL)-9H-PURIN-6-AMINE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEI
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE, METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2YEJ
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HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE, ...
Authors:Roughley, S.D., Hubbard, R.E., Baker, L.M.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:How Well Can Fragments Explore Accessed Chemical Space? a Case Study from Heat Shock Protein 90.
J.Med.Chem., 54, 2011
2BSM
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NOVEL, POTENT SMALL MOLECULE INHIBITORS OF THE MOLECULAR CHAPERONE HSP90 DISCOVERED THROUGH STRUCTURE-BASED DESIGN
Descriptor:HEAT SHOCK PROTEIN HSP90-ALPHA, 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE
Authors:Dymock, B.W., Barril, X., Brough, P.A., Cansfield, J.E., Massey, A., McDonald, E., Hubbard, R.E., Surgenor, A., Roughley, S.D., Webb, P., Workman, P., Wright, L., Drysdale, M.J.
Deposit date:2005-05-23
Release date:2005-06-02
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design.
J. Med. Chem., 48, 2005
2BT0
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NOVEL, POTENT SMALL MOLECULE INHIBITORS OF THE MOLECULAR CHAPERONE HSP90 DISCOVERED THROUGH STRUCTURE-BASED DESIGN
Descriptor:HEAT SHOCK PROTEIN HSP90-ALPHA, 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL
Authors:Dymock, B.W., Barril, X., Brough, P.A., Cansfield, J.E., Massey, A., McDonald, E., Hubbard, R.E., Surgenor, A., Roughley, S.D., Webb, P., Workman, P., Wright, L., Drysdale, M.J.
Deposit date:2005-05-24
Release date:2005-06-02
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design.
J. Med. Chem., 48, 2005
2VCI
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4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE
Authors:Brough, P.A., Aherne, W., Barril, X., Borgognoni, J., Boxal, K., Cansfield, J.E., Cheung, K.M., Collins, I., Davies, N.G.M., Drysdale, M.J., Dymock, B., Eccles, S.A., Finch, H., Fink, A., Hayes, A., Howes, R., Hubbard, R.E., James, K., Jordan, A.M., Lockie, A., Martins, V., Massey, A., Matthews, T.P., McDonald, E., Northfield, C.J., Pearl, L.H., Prodromou, C., Ray, S., Raynaud, F.I., Roughley, S.D., Sharp, S.Y., Surgenor, A., Walmsley, D.L., Webb, P., Wood, M., Workman, P., Wright, L.
Deposit date:2007-09-24
Release date:2007-12-11
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer.
J. Med. Chem., 51, 2008
2VCJ
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4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
Authors:Brough, P.A., Aherne, W., Barril, X., Borgognoni, J., Boxal, K., Cansfield, J.E., Cheung, K.M., Collins, I., Davies, N.G.M., Drysdale, M.J., Dymock, B., Eccles, S.A., Finch, H., Fink, A., Hayes, A., Howes, R., Hubbard, R.E., James, K., Jordan, A.M., Lockie, A., Martins, V., Massey, A., Matthews, T.P., McDonald, E., Northfield, C.J., Pearl, L.H., Prodromou, C., Ray, S., Raynaud, F.I., Roughley, S.D., Sharp, S.Y., Surgenor, A., Walmsley, D.L., Webb, P., Wood, M., Workman, P., Wright, L.
Deposit date:2007-09-24
Release date:2007-12-11
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer.
J. Med. Chem., 51, 2008
2WI1
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ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION, 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
Authors:Brough, P.A., Barril, X., Borgognoni, J., Chene, P., Davies, N.G.M., Davis, B., Drysdale, M.J., Dymock, B., Eccles, S.A., Garcia-Echeverria, C., Fromont, C., Hayes, A., Hubbard, R.E., Jordan, A.M., Rugaard-Jensen, M., Massey, A., Merret, A., Padfield, A., Parsons, R., Radimerski, T., Raynaud, F.I., Robertson, A., Roughley, S.D., Schoepfer, J., Simmonite, H., Surgenor, A., Valenti, M., Walls, S., Webb, P., Wood, M., Workman, P., Wright, L.M.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI2
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ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, DIMETHYL SULFOXIDE, 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE
Authors:Brough, P.A., Barril, X., Borgognoni, J., Chene, P., Davies, N.G.M., Davis, B., Drysdale, M.J., Dymock, B., Eccles, S.A., Garcia-Echeverria, C., Fromont, C., Hayes, A., Hubbard, R.E., Jordan, A.M., Rugaard-Jensen, M., Massey, A., Merret, A., Padfield, A., Parsons, R., Radimerski, T., Raynaud, F.I., Robertson, A., Roughley, S.D., Schoepfer, J., Simmonite, H., Surgenor, A., Valenti, M., Walls, S., Webb, P., Wood, M., Workman, P., Wright, L.M.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI3
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ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN, HSP 90-ALPHA, MAGNESIUM ION, ...
Authors:Brough, P.A., Barril, X., Borgognoni, J., Chene, P., Davies, N.G.M., Davis, B., Drysdale, M.J., Dymock, B., Eccles, S.A., Garcia-Echeverria, C., Fromont, C., Hayes, A., Hubbard, R.E., Jordan, A.M., Rugaard-Jensen, M., Massey, A., Merret, A., Padfield, A., Parsons, R., Radimerski, T., Raynaud, F.I., Robertson, A., Roughley, S.D., Schoepfer, J., Simmonite, H., Surgenor, A., Valenti, M., Walls, S., Webb, P., Wood, M., Workman, P., Wright, L.M.
Deposit date:2009-05-08
Release date:2009-07-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
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