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4PL9	Structure of the catalytic domain of ETR1 from Arabidopsis thaliana Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, ... Authors: Panneerselvam, S, Mueller-Dieckmann, J. Deposit date: 2014-05-16 Release date: 2014-12-17 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural Model of the Cytosolic Domain of the Plant Ethylene Receptor 1 (ETR1). J.Biol.Chem., 290, 2015
2FXS	Yeast HSP82 in complex with the novel HSP90 Inhibitor Radamide Descriptor: ATP-dependent molecular chaperone HSP82, GLYCEROL, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE Authors: Immormino, R.M, Gewirth, D.T. Deposit date: 2006-02-06 Release date: 2007-02-06 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design. J.Mol.Biol., 388, 2009
3C0E	Yeast Hsp82 N-terminal domain: effects of mutants 98-99 KS-AA Descriptor: ATP-dependent molecular chaperone HSP82 Authors: Immormino, R.M, Gewirth, D.T. Deposit date: 2008-01-19 Release date: 2008-07-29 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal Structure of GRP94 with the Specific Mutation KS168-169AA with Bound Geldanamycin To be Published
3C11	Yeast Hsp82 N-terminal domain-Geldanamycin complex: effects of mutants 98-99 KS-AA Descriptor: ATP-dependent molecular chaperone HSP82, GELDANAMYCIN, GLYCEROL Authors: Immormino, R.M, Gewirth, D.T. Deposit date: 2008-01-21 Release date: 2008-07-29 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal Structure of GRP94 with the Specific Mutation KS168-169AA with Bound Geldanamycin To be Published
3CGY	Crystal Structure of Salmonella Sensor Kinase PhoQ catalytic domain in complex with radicicol Descriptor: RADICICOL, Virulence sensor histidine kinase phoQ Authors: Guarnieri, M.T, Zhang, L, Shen, J, Zhao, R. Deposit date: 2008-03-06 Release date: 2008-05-13 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.6 Å) Cite: The Hsp90 inhibitor radicicol interacts with the ATP-binding pocket of bacterial sensor kinase PhoQ. J.Mol.Biol., 379, 2008
3CGZ	Crystal Structure of Salmonella Sensor Kinase PhoQ catalytic domain Descriptor: Virulence sensor histidine kinase phoQ Authors: Guarnieri, M.T, Zhang, L, Shen, J, Zhao, R. Deposit date: 2008-03-06 Release date: 2008-05-13 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The Hsp90 inhibitor radicicol interacts with the ATP-binding pocket of bacterial sensor kinase PhoQ. J.Mol.Biol., 379, 2008
3EHG	Crystal structure of the ATP-binding domain of DesK in complex with ATP Descriptor: ADENOSINE-5'-TRIPHOSPHATE, IODIDE ION, MAGNESIUM ION, ... Authors: Trajtenberg, F, Buschiazzo, A. Deposit date: 2008-09-12 Release date: 2009-09-15 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.74 Å) Cite: Structural and enzymatic insights into the ATP binding and autophosphorylation mechanism of a sensor histidine kinase J.Biol.Chem., 285, 2010
3G7B	Staphylococcus aureus Gyrase B co-complex with METHYL ({5-[4-(4-HYDROXYPIPERIDIN-1-YL)-2-PHENYL-1,3-THIAZOL-5-YL]-1H-PYRAZOL-3-YL}METHYL)CARBAMATE inhibitor Descriptor: DNA gyrase subunit B, methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate Authors: Wei, Y, Charisfon, P. Deposit date: 2009-02-09 Release date: 2010-02-09 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase. Bioorg.Med.Chem.Lett., 20, 2010
3FV5	Crystal Structure of E. coli Topoisomerase IV co-complexed with inhibitor Descriptor: 1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea, DNA topoisomerase 4 subunit B Authors: Wei, Y, Charifson, P, LeTiran, A. Deposit date: 2009-01-15 Release date: 2010-01-26 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Design and syntheses of novel C7-derived-aminobenzimidazole ureas: bacterial gyrase/topoisomerase IV inhibitors with potent Gram-positve antibacterial activity To be Published
3G7E	Crystal structure of E. coli Gyrase B co-complexed with PROP-2-YN-1-YL {[5-(4-PIPERIDIN-1-YL-2-PYRIDIN-3-YL-1,3-THIAZOL-5-YL)-1H-PYRAZOL-3-YL]METHYL}CARBAMATE inhibitor Descriptor: DNA gyrase subunit B, prop-2-yn-1-yl {[5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methyl}carbamate Authors: Wei, Y, Charifson, P. Deposit date: 2009-02-09 Release date: 2010-02-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase. Bioorg.Med.Chem.Lett., 20, 2010
3G75	Crystal structure of Staphylococcus aureus Gyrase B co-complexed with 4-METHYL-5-[3-(METHYLSULFANYL)-1H-PYRAZOL-5-YL]-2-THIOPHEN-2-YL-1,3-THIAZOLE inhibitor Descriptor: 4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole, DNA gyrase subunit B Authors: Wei, Y, Charifson, P. Deposit date: 2009-02-09 Release date: 2010-02-09 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Discovery of pyrazolthiazoles as novel and potent inhibitors of bacterial gyrase. Bioorg.Med.Chem.Lett., 20, 2010
3H80	Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213 Descriptor: 1,2-ETHANEDIOL, Heat shock protein 83-1, MAGNESIUM ION, ... Authors: Wernimont, A.K, Tempel, W, Lin, Y.H, Hutchinson, A, Mackenzie, F, Fairlamb, A, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Pizarro, J.C, Hills, T, Structural Genomics Consortium (SGC) Deposit date: 2009-04-28 Release date: 2009-05-26 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of the amino-terminal domain of HSP90 from Leishmania major, LmjF33.0312:M1-K213 To be Published
2VW5	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	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
2WEQ	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: 2024-05-01 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural Basis of the Radicicol Resistance Displayed by a Fungal Hsp90 Acs Chem.Biol., 4, 2009
2WEP	Yeast Hsp90 N-terminal domain LI-IV mutant with ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 Authors: Roe, S.M, Prodromou, C, Pearl, L.H. Deposit date: 2009-04-01 Release date: 2009-04-14 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural Basis of the Radicicol Resistance Displayed by a Fungal Hsp90. Acs Chem.Biol., 4, 2009
2XD6	Hsp90 complexed with a resorcylic acid macrolactone. Descriptor: (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 Authors: Roe, S.M, Prodromou, C, Pearl, L.H, Moody, C.J. Deposit date: 2010-04-29 Release date: 2010-08-11 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Inhibition of Hsp90 with Resorcylic Acid Macrolactones. Synthesis and Binding Studies. Chemistry, 16, 2010
2XX4	Macrolactone Inhibitor bound to HSP90 N-term Descriptor: (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 Authors: Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. Deposit date: 2010-11-08 Release date: 2011-11-16 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.199 Å) Cite: Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies. Acs Chem.Biol., 6, 2011
2XX5	Macrolactone Inhibitor bound to HSP90 N-term Descriptor: (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 Authors: Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. Deposit date: 2010-11-08 Release date: 2011-11-16 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies. Acs Chem.Biol., 6, 2011
2XX2	Macrolactone Inhibitor bound to HSP90 N-term Descriptor: (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 Authors: Moody, C.J, Prodromou, C, Pearl, L.H, Roe, S.M. Deposit date: 2010-11-08 Release date: 2011-11-16 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Targeting the Hsp90 Molecular Chaperone with Novel Macrolactams. Synthesis, Structural, Binding, and Cellular Studies. Acs Chem.Biol., 6, 2011
2YGE	E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL Authors: Roe, M, Prodromou, C, Pearl, L.H. Deposit date: 2011-04-14 Release date: 2011-11-16 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.956 Å) Cite: Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90. Faseb J., 25, 2011
2YGA	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: 2024-05-01 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
2YGF	L89V, L93I and V136M Mutant of N-Term HSP90 complexed with Geldanamycin Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL Authors: Roe, M, Prodromou, C, Pearl, L.H. Deposit date: 2011-04-14 Release date: 2011-11-16 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90. Faseb J., 25, 2011
3A0Y	Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 3: 1,2-propanediol, orthorombic) Descriptor: Sensor protein Authors: Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. Deposit date: 2009-03-25 Release date: 2009-10-20 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009
3A0W	Catalytic domain of histidine kinase ThkA (TM1359) for MAD phasing (nucleotide free form 2, orthorombic) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(ETHYLMERCURI-THIO)-BENZOIC ACID, ETHYL MERCURY ION, ... Authors: Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. Deposit date: 2009-03-24 Release date: 2009-10-20 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009

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