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5Z9P	Bacterial GyrB ATPase domain in complex with a chemical fragment Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, MAGNESIUM ION Authors: Huang, X, Zhou, H. Deposit date: 2018-02-04 Release date: 2018-12-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
4GGL	Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity Descriptor: 7-({4-[(3R)-3-aminopyrrolidin-1-yl]-5-chloro-6-ethyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl}sulfanyl)pyrido[2,3-b]pyrazin-2(1H)-one, DNA gyrase subunit B, GLYCEROL Authors: Bensen, D.C, Creighton, C.J, Tari, L.W. Deposit date: 2012-08-06 Release date: 2013-02-13 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
5Z9N	S.aureus GyrB ATPase domain in complex with 4,6-dichloro-2-(methylthio)pyrimidine Descriptor: 4,6-dichloro-2-(methylsulfanyl)pyrimidine, DNA gyrase subunit B, SULFATE ION Authors: Huang, X, Zhou, H. Deposit date: 2018-02-03 Release date: 2018-12-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.54 Å) Cite: Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z9F	Bacterial GyrB ATPase domain in complex with a chemical fragment Descriptor: 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ... Authors: Huang, X, Zhou, H. Deposit date: 2018-02-03 Release date: 2018-12-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.76 Å) Cite: Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z9L	Bacterial GyrB ATPase domain in complex with a chemical fragment Descriptor: 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ... Authors: Huang, X, Zhou, H. Deposit date: 2018-02-03 Release date: 2018-12-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z4O	Bacterial GyrB ATPase domain in complex with a chemical fragment Descriptor: 1H-benzimidazol-2-amine, 4-phenoxyphenol, DNA gyrase subunit B, ... Authors: Huang, X, Zhou, H. Deposit date: 2018-01-12 Release date: 2018-12-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
4GFN	Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic Descriptor: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-amine, DNA gyrase subunit B, GLYCEROL Authors: Bensen, D.C, Trzoss, M, Tari, L.W. Deposit date: 2012-08-03 Release date: 2013-02-13 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Pyrrolopyrimidine inhibitors of DNA gyrase B (GyrB) and topoisomerase IV (ParE). Part I: Structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity. Bioorg.Med.Chem.Lett., 23, 2013
5Z4H	Bacterial GyrB ATPase domain in complex with a chemical fragment Descriptor: 1H-benzimidazol-2-amine, 4-(4-hydroxyphenyl)sulfanylphenol, DNA gyrase subunit B, ... Authors: Huang, X, Zhou, H. Deposit date: 2018-01-11 Release date: 2018-12-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2 Å) Cite: Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
4GT8	Crystal Structure of the Catalytic and ATP-binding Domain from VraS in Complex with ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Sensor protein vraS Authors: Leonard, P.G, Valverde, J, Stock, A.M. Deposit date: 2012-08-28 Release date: 2013-08-28 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Structure of the Staphylococcus aureus VraS Catalytic and ATP-binding Domain To be Published
4XCL	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with AGS Descriptor: Heat shock cognate 90 kDa protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER Authors: Raman, S, Suguna, K. Deposit date: 2014-12-18 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.21 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XC0	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ACP Descriptor: DI(HYDROXYETHYL)ETHER, Heat shock cognate 90 kDa protein, MAGNESIUM ION, ... Authors: Raman, S, Suguna, K. Deposit date: 2014-12-17 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.77 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XE2	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with peptide Descriptor: Heat shock cognate 90 kDa protein Authors: Raman, S, Suguna, K. Deposit date: 2014-12-22 Release date: 2015-12-02 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.199 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90. Sci Rep, 5, 2015
4XCJ	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock cognate 90 kDa protein, MAGNESIUM ION Authors: Raman, S, Suguna, K. Deposit date: 2014-12-18 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.75 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XDM	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with Geldanamycin Descriptor: DI(HYDROXYETHYL)ETHER, GELDANAMYCIN, Heat shock cognate 90 kDa protein Authors: Raman, S, Suguna, K. Deposit date: 2014-12-19 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XD8	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with ANP Descriptor: Heat shock cognate 90 kDa protein, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER Authors: Raman, S, Suguna, K. Deposit date: 2014-12-19 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.55 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XKA	N-terminal domain of Hsp90 from Dictyostelium discoideum in hexagonal form with glycerol Descriptor: GLYCEROL, Heat shock cognate 90 kDa protein, TRIS(HYDROXYETHYL)AMINOMETHANE Authors: Raman, S, Suguna, K. Deposit date: 2015-01-10 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
4XKK	Crystal structure of N-terminal domain of Hsp90 from Dictyostelium discoideum Descriptor: Heat shock cognate 90 kDa protein Authors: Raman, S, Suguna, K. Deposit date: 2015-01-12 Release date: 2015-01-28 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Heat shock protein 90 regulates development in Dictyostelium discoideum J. Mol. Biol., 383, 2008
4XKO	N-terminal domain of Hsp90 from Dictyostelium discoideum in hexagonal form with PEG Descriptor: DI(HYDROXYETHYL)ETHER, Heat shock cognate 90 kDa protein, TRIS(HYDROXYETHYL)AMINOMETHANE Authors: Raman, S, Suguna, K. Deposit date: 2015-01-12 Release date: 2015-12-09 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.455 Å) Cite: First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
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
3A0X	Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 1: ammomium phosphate, monoclinic) 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 (1.89 Å) Cite: Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009
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
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
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
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

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