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2BRC
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BU of 2brc by Molmil
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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BU of 2bre by Molmil
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
4ASG
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The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, NICKEL (II) ION, [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
著者Roe, S.M, Prodromou, C.
登録日2012-05-01
公開日2013-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, CHLORIDE ION, [(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
著者Roe, S.M, Prodromou, C.
登録日2012-04-30
公開日2013-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Synthesis of 19-Substituted Geldanamycins with Altered Conformations and Their Binding to Heat Shock Protein Hsp90.
Nat.Chem., 5, 2013
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
4AS9
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The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
分子名称: 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
著者Roe, S.M, Prodromou, C.
登録日2012-04-30
公開日2013-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90.
Nat Chem, 5, 2013
4ASF
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The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
分子名称: (8S,9R,13R,14S,16R)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, NICKEL (II) ION
著者Roe, S.M, Prodromou, C.
登録日2012-05-01
公開日2013-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90.
Nat Chem, 5, 2013
4AIF
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AIP TPR domain in complex with human Hsp90 peptide
分子名称: AH RECEPTOR-INTERACTING PROTEIN, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION
著者Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C.
登録日2012-02-09
公開日2013-01-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.006 Å)
主引用文献Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition.
Plos One, 7, 2012
4ASB
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The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
分子名称: (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, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Prodromou, C.
登録日2012-04-30
公開日2013-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90.
Nat Chem, 5, 2013
4CE3
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Hsp90 N-terminal domain bound to macrolactam analogues of radicicol.
分子名称: 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Parry-Morris, S, Prodromou, C.
登録日2013-11-08
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90.
Org.Biomol.Chem., 12, 2014
4APO
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BU of 4apo by Molmil
AIP TPR domain in complex with human Tomm20 peptide
分子名称: AH RECEPTOR-INTERACTING PROTEIN, DODECAETHYLENE GLYCOL, MITOCHONDRIAL IMPORT RECEPTOR SUBUNIT TOM20 HOMOLOG, ...
著者Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C.
登録日2012-04-04
公開日2013-01-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition.
Plos One, 7, 2012
4CE1
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Hsp90 N-terminal domain bound to macrolactam analogues of radicicol.
分子名称: 15-Chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2H,14H)-dione, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Parry-Morris, S, Prodromou, C.
登録日2013-11-08
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90.
Org.Biomol.Chem., 12, 2014
4CE2
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Hsp90 N-terminal domain bound to macrolactam analogues of radicicol.
分子名称: (9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Roe, S.M, Parry-Morris, S, Prodromou, C.
登録日2013-11-08
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Synthesis of macrolactam analogues of radicicol and their binding to heat shock protein Hsp90.
Org. Biomol. Chem., 12, 2014
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
2XD6
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BU of 2xd6 by Molmil
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
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
2XX4
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Macrolactone Inhibitor bound to HSP90 N-term
分子名称: (E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
著者Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M.
登録日2010-11-08
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies.
Acs Chem.Biol., 6, 2011
2XX5
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Macrolactone Inhibitor bound to HSP90 N-term
分子名称: (5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL
著者Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M.
登録日2010-11-08
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies.
Acs Chem.Biol., 6, 2011
2XX2
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Macrolactone Inhibitor bound to HSP90 N-term
分子名称: (5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL
著者Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M.
登録日2010-11-08
公開日2011-11-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies.
Acs Chem.Biol., 6, 2011
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
6SEQ
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BU of 6seq by Molmil
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
最終更新日2024-05-15
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
7OLE
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BU of 7ole by Molmil
Cryo-EM structure of the TELO2-TTI1-TTI2-RUVBL1-RUVBL2 complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2, ...
著者Pal, M, Llorca, O, Pearl, L.
登録日2021-05-19
公開日2021-07-07
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Structure of the TELO2-TTI1-TTI2 complex and its function in TOR recruitment to the R2TP chaperone.
Cell Rep, 36, 2021
6FO1
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Human R2TP subcomplex containing 1 RUVBL1-RUVBL2 hexamer bound to 1 RBD domain from RPAP3.
分子名称: ADENOSINE-5'-DIPHOSPHATE, RNA polymerase II-associated protein 3, RuvB-like 1, ...
著者Martino, F, Munoz-Hernandez, H, Rodriguez, C.F, Pearl, L.H, Llorca, O.
登録日2018-02-05
公開日2018-04-04
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献RPAP3 provides a flexible scaffold for coupling HSP90 to the human R2TP co-chaperone complex.
Nat Commun, 9, 2018
6QI9
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Truncated human R2TP complex, structure 4 (ADP-empty)
分子名称: ADENOSINE-5'-DIPHOSPHATE, RuvB-like 1, RuvB-like 2
著者Munoz-Hernandez, H, Rodriguez, C.F, Llorca, O.
登録日2019-01-18
公開日2019-05-15
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.63 Å)
主引用文献Structural mechanism for regulation of the AAA-ATPases RUVBL1-RUVBL2 in the R2TP co-chaperone revealed by cryo-EM.
Sci Adv, 5, 2019

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