Author results

1BGQ
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RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE
Descriptor:HEAT SHOCK PROTEIN 90, RADICICOL
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:1998-05-29
Release date:1999-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for inhibition of the Hsp90 molecular chaperone by the antitumor antibiotics radicicol and geldanamycin.
J.Med.Chem., 42, 1999
1BVS
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RUVA COMPLEXED TO A HOLLIDAY JUNCTION.
Descriptor:PROTEIN (HOLLIDAY JUNCTION DNA HELICASE RUVA)
Authors:Roe, S.M., Pearl, L.H.
Deposit date:1998-09-17
Release date:1998-09-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of an octameric RuvA-Holliday junction complex.
Mol.Cell, 2, 1998
1US7
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COMPLEX OF HSP90 AND P50
Descriptor:HEAT SHOCK PROTEIN HSP82, HSP90 CO-CHAPERONE CDC37
Authors:Roe, S.M., Ali, M.M.U., Pearl, L.H.
Deposit date:2003-11-20
Release date:2004-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Mechanism of Hsp90 Regulation by the Protein Kinase-Specific Cochaperone p50(Cdc37)
Cell(Cambridge,Mass.), 116, 2004
2VW5
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STRUCTURE OF THE HSP90 INHIBITOR 7-O-CARBAMOYLPREMACBECIN BOUND TO THE N- TERMINUS OF YEAST HSP90
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, (4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate, SULFATE ION
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2008-06-16
Release date:2008-09-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimizing Natural Products by Biosynthetic Engineering: Discovery of Nonquinone Hsp90 Inhibitors.
J.Med.Chem., 51, 2008
2VWC
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STRUCTURE OF THE HSP90 INHIBITOR MACBECIN BOUND TO THE N-TERMINUS OF YEAST HSP90.
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, MACBECIN, GLYCEROL
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2008-06-20
Release date:2008-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Characterisation of Macbecin as an Hsp90 Inhibitor
J.Med.Chem., 51, 2008
2BRC
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STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90.
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL
Authors:Roe, S.M., Pearl, L.H., Prodromou, C.
Deposit date:2005-05-04
Release date:2005-09-29
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.
Bioorg. Med. Chem. Lett., 15, 2005
2BRE
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STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90.
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL
Authors:Roe, S.M., Pearl, L.H., Prodromou, C.
Deposit date:2005-05-04
Release date:2005-09-29
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.
Bioorg. Med. Chem. Lett., 15, 2005
2C5L
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STRUCTURE OF PLC EPSILON RAS ASSOCIATION DOMAIN WITH HRAS
Descriptor:GTPASE HRAS, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C PLC-EPSILON, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Roe, S.M., Bunney, T.D., Katan, M., Pearl, L.H.
Deposit date:2005-10-27
Release date:2006-02-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Mechanistic Insights Into Ras Association Domains of Phospholipase C Epsilon
Mol.Cell, 21, 2006
2CGF
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A RADICICOL ANALOGUE BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE
Authors:Roe, S.M., Prodromou, C., Pearl, L.H., Moody, C.J.
Deposit date:2006-03-02
Release date:2006-11-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol.
Chem.Biol., 13, 2006
2IWS
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RADICICOL ANALOGUES BOUND TO THE ATP SITE OF HSP90
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2006-07-04
Release date:2006-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol.
Chem.Biol., 13, 2006
2IWU
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ANALOGUES OF RADICICOL BOUND TO THE ATP-BINDING SITE OF HSP90
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2006-07-04
Release date:2006-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol.
Chem.Biol., 13, 2006
2IWX
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ANALOGUES OF RADICICOL BOUND TO THE ATP-BINDING SITE OF HSP90.
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, (5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2006-07-05
Release date:2006-11-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol.
Chem.Biol., 13, 2006
2V0P
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THE STRUCTURE OF TAP42 ALPHA4 SUBUNIT
Descriptor:TYPE 2A PHOSPHATASE-ASSOCIATED PROTEIN 42, ZINC ION
Authors:Roe, S.M., Yang, J., Barford, D.
Deposit date:2007-05-15
Release date:2007-07-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Structure of Tap42/Alpha4 Reveals a Tetratricopeptide Repeat-Like Fold and Provides Insights Into Pp2A Regulation.
Biochemistry, 46, 2007
2WEP
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YEAST HSP90 N-TERMINAL DOMAIN LI-IV MUTANT WITH ADP
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, ADENOSINE-5'-DIPHOSPHATE
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2009-04-01
Release date:2009-04-14
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of the Radicicol Resistance Displayed by a Fungal Hsp90.
Acs Chem.Biol., 4, 2009
2WEQ
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YEAST HSP90 N-TERMINAL DOMAIN LI-IV MUTANT WITH GELDANAMYCIN
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2009-04-01
Release date:2009-04-14
Last modified:2012-03-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis of the Radicicol Resistance Displayed by a Fungal Hsp90
Acs Chem.Biol., 4, 2009
2WER
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YEAST HSP90 N-TERMINAL DOMAIN LI-IV MUTANT WITH RADICICOL
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, RADICICOL
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2009-04-01
Release date:2009-04-14
Last modified:2011-11-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of the Radicicol Resistance Displayed by a Fungal Hsp90.
Acs Chem.Biol., 4, 2009
2XD6
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HSP90 COMPLEXED WITH A RESORCYLIC ACID MACROLACTONE.
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, (5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE, GLYCEROL
Authors:Roe, S.M., Prodromou, C., Pearl, L.H., Moody, C.J.
Deposit date:2010-04-29
Release date:2010-08-11
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibition of Hsp90 with Resorcylic Acid Macrolactones. Synthesis and Binding Studies.
Chemistry, 16, 2010
2YGA
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E88G-N92L MUTANT OF N-TERM HSP90 COMPLEXED WITH GELDANAMYCIN
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2011-04-12
Release date:2011-11-16
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise with Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
2YI0
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STRUCTURAL CHARACTERIZATION OF 5-ARYL-4-(5-SUBSTITUTED-2-4- DIHYDROXYPHENYL)-1,2,3-THIADIAZOLE HSP90 INHIBITORS.
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 4-CHLORO-6-[5-(4-METHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL, MAGNESIUM ION
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2011-05-10
Release date:2012-05-16
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors.
Plos One, 7, 2012
2YI5
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STRUCTURAL CHARACTERIZATION OF 5-ARYL-4-(5-SUBSTITUTED-2-4- DIHYDROXYPHENYL)-1,2,3-THIADIAZOLE HSP90 INHIBITORS.
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 4-CHLORO-6-[5-(3,4-DIMETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2011-05-10
Release date:2012-05-16
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors.
Plos One, 7, 2012
2YI6
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STRUCTURAL CHARACTERIZATION OF 5-ARYL-4-(5-SUBSTITUTED-2-4- DIHYDROXYPHENYL)-1,2,3-THIADIAZOLE HSP90 INHIBITORS.
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 4-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]-6-ETHYLBENZENE-1,3-DIOL, MAGNESIUM ION
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2011-05-10
Release date:2012-05-16
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors.
Plos One, 7, 2012
2YI7
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STRUCTURAL CHARACTERIZATION OF 5-ARYL-4-(5-SUBSTITUTED-2-4- DIHYDROXYPHENYL)-1,2,3-THIADIAZOLE HSP90 INHIBITORS.
Descriptor:HEAT SHOCK PROTEIN HSP 90-ALPHA, 4-CHLORO-6-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL BENZENE-1,3-DIOL, MAGNESIUM ION
Authors:Roe, S.M., Prodromou, C., Pearl, L.H.
Deposit date:2011-05-10
Release date:2012-05-16
Last modified:2012-09-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors.
Plos One, 7, 2012
4AS9
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THE STRUCTURE OF MODIFIED BENZOQUINONE ANSAMYCINS BOUND TO YEAST N- TERMINAL HSP90
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, [(3R,5S,6R,7R,10R,11S,12E)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
Authors:Roe, S.M., Prodromou, C.
Deposit date:2012-04-30
Release date:2013-04-03
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90.
Nat Chem, 5, 2013
4ASA
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THE STRUCTURE OF MODIFIED BENZOQUINONE ANSAMYCINS BOUND TO YEAST N- TERMINAL HSP90
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, [(3R,5S,6R,7R,12E)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate, CHLORIDE ION
Authors:Roe, S.M., Prodromou, C.
Deposit date:2012-04-30
Release date:2013-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Synthesis of 19-Substituted Geldanamycins with Altered Conformations and Their Binding to Heat Shock Protein Hsp90.
Nat.Chem., 5, 2013
4ASB
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THE STRUCTURE OF MODIFIED BENZOQUINONE ANSAMYCINS BOUND TO YEAST N- TERMINAL HSP90
Descriptor:ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, (4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
Authors:Roe, S.M., Prodromou, C.
Deposit date:2012-04-30
Release date:2013-04-03
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90.
Nat Chem, 5, 2013