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PDB: 121 件
8AXP
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Neisseria gonorrhoeae peptidyl-tRNA hydrolase complexed with an XChem hit.
分子名称: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, Peptidyl-tRNA hydrolase, SULFATE ION
著者Roe, S.M, Fearon, D.
登録日2022-08-31
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction.
Org.Lett., 24, 2022
1US7
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Complex of Hsp90 and P50
分子名称: HEAT SHOCK PROTEIN HSP82, HSP90 CO-CHAPERONE CDC37
著者Roe, S.M, Ali, M.M.U, Pearl, L.H.
登録日2003-11-20
公開日2004-01-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Mechanism of Hsp90 Regulation by the Protein Kinase-Specific Cochaperone p50(Cdc37)
Cell(Cambridge,Mass.), 116, 2004
8OXU
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Crystal Structure of the Hsp90-LA1011 Complex
分子名称: ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
著者Roe, S.M, Prodromou, C.
登録日2023-05-02
公開日2023-07-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease.
Biomolecules, 13, 2023
7OA5
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RUVA COMPLEXED TO A HOLLIDAY JUNCTION.
分子名称: CALCIUM ION, DNA (5'-D(*AP*GP*TP*TP*CP*GP*CP*GP*AP*GP*TP*TP*CP*GP*C)-3'), DNA (5'-D(*AP*GP*TP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*AP*CP*T)-3'), ...
著者Roe, S.M, Pearl, L.H.
登録日2021-04-19
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.378 Å)
主引用文献Crystal structure of an octameric RuvA-Holliday junction complex
Molecular Cell, 2, 1998
5MGX
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The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP8, yeast HSP90 C-terminus
著者Roe, S.M, Blundell, K.L, Prodromou, C.
登録日2016-11-22
公開日2017-03-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90.
PLoS ONE, 12, 2017
6SEQ
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Lemur tyrosine kinase 3 (LMTK3)
分子名称: Serine/threonine-protein kinase LMTK3
著者Roe, S.M, Owen, R.
登録日2019-07-30
公開日2020-11-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure-function relationship of oncogenic LMTK3.
Sci Adv, 6, 2020
1BGQ
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RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE
分子名称: HEAT SHOCK PROTEIN 90, RADICICOL
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日1998-05-29
公開日1999-06-08
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for inhibition of the Hsp90 molecular chaperone by the antitumor antibiotics radicicol and geldanamycin.
J.Med.Chem., 42, 1999
2VWC
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STRUCTURE OF THE HSP90 INHIBITOR MACBECIN BOUND TO THE N-TERMINUS OF YEAST HSP90.
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL, MACBECIN
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2008-06-20
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Characterisation of Macbecin as an Hsp90 Inhibitor
J.Med.Chem., 51, 2008
2VW5
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Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90
分子名称: (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, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, SULFATE ION
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2008-06-16
公開日2008-09-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Optimizing Natural Products by Biosynthetic Engineering: Discovery of Nonquinone Hsp90 Inhibitors.
J.Med.Chem., 51, 2008
2IWS
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Radicicol analogues bound to the ATP site of HSP90
分子名称: (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2006-07-04
公開日2006-11-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
分子名称: (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2006-07-04
公開日2006-11-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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.
分子名称: (5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2006-07-05
公開日2006-11-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol.
Chem.Biol., 13, 2006
2YI7
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Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors.
分子名称: 4-CHLORO-6-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2011-05-10
公開日2012-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
2XD6
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Hsp90 complexed with a resorcylic acid macrolactone.
分子名称: (5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL
著者Roe, S.M, Prodromou, C, Pearl, L.H, Moody, C.J.
登録日2010-04-29
公開日2010-08-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of Hsp90 with Resorcylic Acid Macrolactones. Synthesis and Binding Studies.
Chemistry, 16, 2010
2YI0
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Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors.
分子名称: 4-CHLORO-6-[5-(4-METHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2011-05-10
公開日2012-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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.
分子名称: 4-CHLORO-6-[5-(3,4-DIMETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2011-05-10
公開日2012-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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.
分子名称: 4-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]-6-ETHYLBENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2011-05-10
公開日2012-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
2YGA
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E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2011-04-12
公開日2011-11-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献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
2BRC
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Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90.
分子名称: 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Pearl, L.H, Prodromou, C.
登録日2005-05-04
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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.
分子名称: 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Pearl, L.H, Prodromou, C.
登録日2005-05-04
公開日2005-09-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: GLYCEROL, GTPASE HRAS, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Roe, S.M, Bunney, T.D, Katan, M, Pearl, L.H.
登録日2005-10-27
公開日2006-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Prodromou, C, Pearl, L.H, Moody, C.J.
登録日2006-03-02
公開日2006-11-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: TYPE 2A PHOSPHATASE-ASSOCIATED PROTEIN 42, ZINC ION
著者Roe, S.M, Yang, J, Barford, D.
登録日2007-05-15
公開日2007-07-17
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of Tap42/Alpha4 Reveals a Tetratricopeptide Repeat-Like Fold and Provides Insights Into Pp2A Regulation.
Biochemistry, 46, 2007
2WER
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BU of 2wer by Molmil
Yeast Hsp90 N-terminal domain LI-IV mutant with Radicicol
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, RADICICOL
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2009-04-01
公開日2009-04-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2009-04-01
公開日2009-04-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of the Radicicol Resistance Displayed by a Fungal Hsp90
Acs Chem.Biol., 4, 2009

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