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1AH6	STRUCTURE OF THE TETRAGONAL FORM OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE Descriptor: HEAT SHOCK PROTEIN 90 Authors: Prodromou, C, Roe, S.M, Pearl, L.H. Deposit date: 1997-04-14 Release date: 1997-10-22 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A molecular clamp in the crystal structure of the N-terminal domain of the yeast Hsp90 chaperone. Nat.Struct.Biol., 4, 1997
1AMW	ADP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE Descriptor: ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK PROTEIN 90 Authors: Pearl, L.H, Roe, S.M, Prodromou, C. Deposit date: 1997-06-19 Release date: 1998-06-24 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Identification and structural characterization of the ATP/ADP-binding site in the Hsp90 molecular chaperone Cell(Cambridge,Mass.), 90, 1997
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
1A4H	STRUCTURE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE IN COMPLEX WITH GELDANAMYCIN Descriptor: GELDANAMYCIN, HEAT SHOCK PROTEIN 90 Authors: Prodromou, C, Roe, S.M, Pearl, L.H. Deposit date: 1998-01-29 Release date: 1998-08-05 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Identification and structural characterization of the ATP/ADP-binding site in the Hsp90 molecular chaperone Cell(Cambridge,Mass.), 90, 1997
1S14	Crystal structure of Escherichia coli Topoisomerase IV ParE 24kDa subunit Descriptor: NOVOBIOCIN, Topoisomerase IV subunit B Authors: Wei, Y, Gross, C.H. Deposit date: 2004-01-05 Release date: 2004-05-04 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structures of Escherichia coli topoisomerase IV ParE subunit (24 and 43 kilodaltons): a single residue dictates differences in novobiocin potency against topoisomerase IV and DNA gyrase. Antimicrob.Agents Chemother., 48, 2004
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
2IWS	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
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
1AJ6	NOVOBIOCIN-RESISTANT MUTANT (R136H) OF THE N-TERMINAL 24 KDA FRAGMENT OF DNA GYRASE B COMPLEXED WITH NOVOBIOCIN AT 2.3 ANGSTROMS RESOLUTION Descriptor: GYRASE, NOVOBIOCIN Authors: Weston, S.A, Tunnicliffe, A, Pauptit, R.A. Deposit date: 1997-05-15 Release date: 1998-05-20 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study. Biochemistry, 36, 1997
1AM1	ATP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE Descriptor: ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK PROTEIN 90 Authors: Pearl, L.H, Roe, S.M, Prodromou, C. Deposit date: 1997-06-20 Release date: 1998-06-24 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Identification and structural characterization of the ATP/ADP-binding site in the Hsp90 molecular chaperone Cell(Cambridge,Mass.), 90, 1997
1AH8	STRUCTURE OF THE ORTHORHOMBIC FORM OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE Descriptor: GLYCEROL, HEAT SHOCK PROTEIN 90 Authors: Prodromou, C, Roe, S.M, Pearl, L.H. Deposit date: 1997-04-14 Release date: 1997-10-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A molecular clamp in the crystal structure of the N-terminal domain of the yeast Hsp90 chaperone. Nat.Struct.Biol., 4, 1997
1BGQ	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: 2024-05-22 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
2IWX	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: 2024-05-08 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
1R62	Crystal structure of the C-terminal Domain of the Two-Component System Transmitter Protein NRII (NtrB) Descriptor: Nitrogen regulation protein NR(II) Authors: Song, Y, Peisach, D, Pioszak, A.A, Xu, Z, Ninfa, A.J. Deposit date: 2003-10-14 Release date: 2004-06-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal Structure of the C-terminal Domain of the Two-Component System Transmitter Protein Nitrogen Regulator II (NRII; NtrB), Regulator of Nitrogen Assimilation in Escherichia coli. Biochemistry, 43, 2004
2IOR	Crystal Structure of the N-terminal Domain of HtpG, the Escherichia coli Hsp90, Bound to ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chaperone protein htpG, HEXANE-1,6-DIOL, ... Authors: Shiau, A.K, Harris, S.F, Agard, D.A. Deposit date: 2006-10-10 Release date: 2006-11-21 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural Analysis of E. coli hsp90 reveals dramatic nucleotide-dependent conformational rearrangements. Cell(Cambridge,Mass.), 127, 2006
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
2IWU	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
6TCK	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ... Authors: Welin, M, Kimbung, R, Focht, D. Deposit date: 2019-11-06 Release date: 2020-09-23 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Rational design of balanced dual-targeting antibiotics with limited resistance. Plos Biol., 18, 2020
6TTG	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with LMD62 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ... Authors: Welin, M, Kimbung, R, Focht, D. Deposit date: 2019-12-27 Release date: 2020-12-30 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.7 Å) Cite: New dual ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV active against ESKAPE pathogens. Eur.J.Med.Chem., 213, 2021
3U67	Crystal structure of the N-terminal domain of Hsp90 from Leishmania major(LmjF33.0312)in complex with ADP Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 83-1, ... Authors: Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Mackenzie, F, Fairlamb, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) Deposit date: 2011-10-12 Release date: 2012-05-30 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design. PLoS Negl Trop Dis, 7, 2013
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
5CTW	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ... Authors: Andersen, O.A, Barker, J, Hadfield, A.T, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. Deposit date: 2015-07-24 Release date: 2016-02-03 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016

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