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1BGQ
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BU of 1bgq by Molmil
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:2023-08-02
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
7OA5
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BU of 7oa5 by Molmil
RUVA COMPLEXED TO A HOLLIDAY JUNCTION.
Descriptor: 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'), ...
Authors:Roe, S.M, Pearl, L.H.
Deposit date:2021-04-19
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.378 Å)
Cite:Crystal structure of an octameric RuvA-Holliday junction complex
Molecular Cell, 2, 1998
8OXU
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BU of 8oxu by Molmil
Crystal Structure of the Hsp90-LA1011 Complex
Descriptor: ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
Authors:Roe, S.M, Prodromou, C.
Deposit date:2023-05-02
Release date:2023-07-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.94 Å)
Cite: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
1US7
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BU of 1us7 by Molmil
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:2023-12-13
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
5MGX
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BU of 5mgx by Molmil
The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP8, yeast HSP90 C-terminus
Authors:Roe, S.M, Blundell, K.L, Prodromou, C.
Deposit date:2016-11-22
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The structure of FKBP38 in complex with the MEEVD tetratricopeptide binding-motif of Hsp90.
PLoS ONE, 12, 2017
8AXP
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BU of 8axp by Molmil
Neisseria gonorrhoeae peptidyl-tRNA hydrolase complexed with an XChem hit.
Descriptor: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, Peptidyl-tRNA hydrolase, SULFATE ION
Authors:Roe, S.M, Fearon, D.
Deposit date:2022-08-31
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Synthesis of a Thiazole Library via an Iridium-Catalyzed Sulfur Ylide Insertion Reaction.
Org.Lett., 24, 2022
6SEQ
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BU of 6seq by Molmil
Lemur tyrosine kinase 3 (LMTK3)
Descriptor: Serine/threonine-protein kinase LMTK3
Authors:Roe, S.M, Owen, R.
Deposit date:2019-07-30
Release date:2020-11-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure-function relationship of oncogenic LMTK3.
Sci Adv, 6, 2020
2IWU
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BU of 2iwu by Molmil
Analogues of radicicol bound to the ATP-binding site of Hsp90
Descriptor: (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2006-07-04
Release date:2006-11-30
Last modified:2023-12-13
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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BU of 2iwx by Molmil
Analogues of radicicol bound to the ATP-binding site of Hsp90.
Descriptor: (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
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
2IWS
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BU of 2iws by Molmil
Radicicol analogues bound to the ATP site of HSP90
Descriptor: (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2006-07-04
Release date:2006-11-30
Last modified:2023-12-13
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
2C5L
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BU of 2c5l by Molmil
Structure of PLC epsilon Ras association domain with hRas
Descriptor: GLYCEROL, GTPASE HRAS, 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
2BRC
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BU of 2brc by Molmil
Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90.
Descriptor: 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
Authors:Roe, S.M, Pearl, L.H, Prodromou, C.
Deposit date:2005-05-04
Release date:2005-09-29
Last modified:2023-12-13
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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BU of 2bre by Molmil
STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90.
Descriptor: 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
Authors:Roe, S.M, Pearl, L.H, Prodromou, C.
Deposit date:2005-05-04
Release date:2005-09-29
Last modified:2023-12-13
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
2CGF
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BU of 2cgf by Molmil
A RADICICOL ANALOGUE BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE
Descriptor: (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
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
2VW5
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BU of 2vw5 by Molmil
Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90
Descriptor: (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
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2008-06-16
Release date:2008-09-02
Last modified:2023-12-13
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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BU of 2vwc by Molmil
STRUCTURE OF THE HSP90 INHIBITOR MACBECIN BOUND TO THE N-TERMINUS OF YEAST HSP90.
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GLYCEROL, MACBECIN
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2008-06-20
Release date:2008-07-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Characterisation of Macbecin as an Hsp90 Inhibitor
J.Med.Chem., 51, 2008
4ASB
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BU of 4asb by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Descriptor: (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
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
4AS9
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BU of 4as9 by Molmil
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
4ASG
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BU of 4asg by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Descriptor: 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
Authors:Roe, S.M, Prodromou, C.
Deposit date:2012-05-01
Release date:2013-04-03
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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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BU of 4asf by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Descriptor: (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
Authors:Roe, S.M, Prodromou, C.
Deposit date:2012-05-01
Release date:2013-04-03
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (2.6 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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BU of 4asa by Molmil
The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
Descriptor: 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
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
4CE2
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BU of 4ce2 by Molmil
Hsp90 N-terminal domain bound to macrolactam analogues of radicicol.
Descriptor: (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
Authors:Roe, S.M, Parry-Morris, S, Prodromou, C.
Deposit date:2013-11-08
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Synthesis of macrolactam analogues of radicicol and their binding to heat shock protein Hsp90.
Org. Biomol. Chem., 12, 2014
4CE3
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BU of 4ce3 by Molmil
Hsp90 N-terminal domain bound to macrolactam analogues of radicicol.
Descriptor: 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
Authors:Roe, S.M, Parry-Morris, S, Prodromou, C.
Deposit date:2013-11-08
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90.
Org.Biomol.Chem., 12, 2014
4CE1
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BU of 4ce1 by Molmil
Hsp90 N-terminal domain bound to macrolactam analogues of radicicol.
Descriptor: 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
Authors:Roe, S.M, Parry-Morris, S, Prodromou, C.
Deposit date:2013-11-08
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Synthesis of Macrolactam Analogues of Radicicol and Their Binding to Heat Shock Protein Hsp90.
Org.Biomol.Chem., 12, 2014
4CGV
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BU of 4cgv by Molmil
First TPR of Spaghetti (RPAP3) bound to HSP90 peptide SRMEEVD
Descriptor: GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA, RNA POLYMERASE II-ASSOCIATED PROTEIN 3
Authors:Roe, S.M, Pal, M.
Deposit date:2013-11-26
Release date:2014-05-14
Last modified:2014-06-25
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1.
Structure, 22, 2014

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