4CE1
| 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
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2BRE
| 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
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4CHH
| N-terminal domain of yeast PIH1p | Descriptor: | 1,2-ETHANEDIOL, PROTEIN INTERACTING WITH HSP90 1 | Authors: | Roe, S.M, Pal, M. | Deposit date: | 2013-12-02 | Release date: | 2014-05-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1. Structure, 22, 2014
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4CGV
| 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: | 2024-05-01 | 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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4CGQ
| Full length Tah1 bound to HSP90 peptide SRMEEVD | Descriptor: | CHLORIDE ION, HEAT SHOCK PROTEIN HSP 90-ALPHA, TPR REPEAT-CONTAINING PROTEIN ASSOCIATED WITH HSP90 | Authors: | Roe, S.M, Pal, M. | Deposit date: | 2013-11-26 | Release date: | 2014-12-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tah1 Helix-Swap Dimerization Prevents Mixed Hsp90 Co-Chaperone Complexes Acta Crystallogr.,Sect.F, 71, 2015
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4CGW
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4AS9
| 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: | 2024-05-01 | 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
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2BRC
| 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
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4ASA
| 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 | Last modified: | 2024-05-01 | 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
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2CGF
| 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: | 2024-05-01 | 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
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2C5L
| 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: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Mechanistic Insights Into Ras Association Domains of Phospholipase C Epsilon Mol.Cell, 21, 2006
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4ASB
| 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: | 2024-05-01 | 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
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4ASF
| 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: | 2024-05-01 | 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
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4ASG
| 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: | 2024-05-01 | 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
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4CGU
| Full length Tah1 bound to yeast PIH1 and HSP90 peptide SRMEEVD | Descriptor: | GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA, PROTEIN INTERACTING WITH HSP90 1, ... | Authors: | Roe, S.M, Pal, M. | Deposit date: | 2013-11-26 | Release date: | 2014-05-14 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural Basis for Phosphorylation-Dependent Recruitment of Tel2 to Hsp90 by Pih1. Structure, 22, 2014
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2YLJ
| Horse Radish Peroxidase, mutant S167Y | Descriptor: | ACETATE ION, CALCIUM ION, PEROXIDASE C1A, ... | Authors: | Roe, S.M, Al-Fartusie, F.S, Smith, A.T. | Deposit date: | 2011-06-02 | Release date: | 2012-06-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Engineering and Characterisation of Novel Protein Covalent Linkages in Horseradish Peroxidase (Hrp): Effect on Structure and Function. Ph D Thesis
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4V81
| The crystal structure of yeast CCT reveals intrinsic asymmetry of eukaryotic cytosolic chaperonins | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, SULFATE ION, ... | Authors: | Dekker, C, Roe, S.M, McCormack, E.A, Beuron, F, Pearl, L.H, Willison, K.R. | Deposit date: | 2010-10-17 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | The crystal structure of yeast CCT reveals intrinsic asymmetry of eukaryotic cytosolic chaperonins. Embo J., 30, 2011
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3BO6
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1W9H
| The Structure of a Piwi protein from Archaeoglobus fulgidus. | Descriptor: | CADMIUM ION, CHLORIDE ION, HYPOTHETICAL PROTEIN AF1318, ... | Authors: | Parker, J.S, Roe, S.M, Barford, D. | Deposit date: | 2004-10-13 | Release date: | 2005-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of a Piwi Protein Suggests Mechanisms for Sirna Recognition and Slicer Activity Embo J., 23, 2004
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3KAE
| Cdc27 N-terminus | Descriptor: | CHLORIDE ION, GLYCEROL, Possible protein of nuclear scaffold, ... | Authors: | Barford, D, Zhang, Z, Roe, S.M. | Deposit date: | 2009-10-19 | Release date: | 2010-03-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | Molecular structure of the N-terminal domain of the APC/C subunit Cdc27 reveals a homo-dimeric tetratricopeptide repeat architecture J.Mol.Biol., 397, 2010
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1H0C
| The crystal structure of human alanine:glyoxylate aminotransferase | Descriptor: | (AMINOOXY)ACETIC ACID, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Zhang, X, Danpure, C.J, Roe, S.M, Pearl, L.H. | Deposit date: | 2002-06-17 | Release date: | 2003-06-12 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Alanine:Glyoxylate Aminotransferase and the Relationship between Genotype and Enzymatic Phenotype in Primary Hyperoxaluria Type 1. J.Mol.Biol., 331, 2003
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6ZUJ
| Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic fragment screen). | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R. | Deposit date: | 2020-07-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
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6ZSP
| Human serine racemase bound to ATP and malonate. | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R. | Deposit date: | 2020-07-16 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
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7NBG
| Crystal structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen. | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ... | Authors: | Koulouris, C.R, Roe, S.M. | Deposit date: | 2021-01-26 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
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7NBH
| Crystal structure of human serine racemase in complex with DSiP fragment Z26781964, XChem fragment screen. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Koulouris, C.R, Roe, S.M. | Deposit date: | 2021-01-26 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
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