PDB: 442 resultsInfo pagesStatus searchChemie searchBIRD

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4WUC	N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM NaCl condition Descriptor: CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ... Authors: Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M. Deposit date: 2014-10-31 Release date: 2015-04-08 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The role of monovalent cations in the ATPase reaction of DNA gyrase Acta Crystallogr.,Sect.D, 71, 2015
4WUD	N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from no salt condition Descriptor: CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ... Authors: Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M. Deposit date: 2014-10-31 Release date: 2015-04-08 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: The role of monovalent cations in the ATPase reaction of DNA gyrase Acta Crystallogr.,Sect.D, 71, 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
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
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
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
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
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
4XIV	Kinase and Dimerization (P3P4) of the Thermotoga maritima CheA kinase Descriptor: ADENOSINE-5'-DIPHOSPHATE, Chemotaxis protein CheA, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER Authors: Greenswag, A.R, Crane, B.R. Deposit date: 2015-01-07 Release date: 2015-11-04 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (3 Å) Cite: Conformational Transitions that Enable Histidine Kinase Autophosphorylation and Receptor Array Integration. J.Mol.Biol., 427, 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
4XTJ	N-terminal 43 kDa fragment of the E. coli DNA gyrase B subunit grown from 100 mM KCl plus 100 mM NaCl condition Descriptor: CHLORIDE ION, DNA gyrase subunit B, MAGNESIUM ION, ... Authors: Hearnshaw, S.J, Chung, T.T, Stevenson, C.E.M, Maxwell, A, Lawson, D.M. Deposit date: 2015-01-23 Release date: 2015-04-08 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.92 Å) Cite: The role of monovalent cations in the ATPase reaction of DNA gyrase Acta Crystallogr.,Sect.D, 71, 2015
4ZKI	The crystal structure of Histidine Kinase YycG with ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, Histidine kinase Authors: Cai, Y. Deposit date: 2015-04-30 Release date: 2016-05-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (3.401 Å) Cite: Conformational dynamics of the essential sensor histidine kinase WalK Acta Crystallogr D Struct Biol, 73, 2017
4ZVI	GYRASE B IN COMPLEX WITH 4,5-DIBROMOPYRROLAMIDE-BASED INHIBITOR Descriptor: DNA gyrase subunit B, IODIDE ION, N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine Authors: Zidar, N, Macut, H, Tomasic, T, Brvar, M, Montalvao, S, Tammela, P, Solmajer, T, Peterlin Masic, L, Ilas, J, Kikelj, D. Deposit date: 2015-05-18 Release date: 2015-07-15 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: N-Phenyl-4,5-dibromopyrrolamides and N-Phenylindolamides as ATP Competitive DNA Gyrase B Inhibitors: Design, Synthesis, and Evaluation. J.Med.Chem., 58, 2015
5BOC	Crystal structure of topoisomerase ParE inhibitor Descriptor: 3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)benzoic acid, DNA topoisomerase 4 subunit B Authors: Tan, Y.W, Chen, G.Y, Hung, A.W, Hill, J. Deposit date: 2015-05-27 Release date: 2015-06-17 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Application of Fragment-based Drug Discovery against DNA GyraseB To be published
5BOD	Crystal structure of Streptococcus pneumonia ParE inhibitor Descriptor: (2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide, DNA topoisomerase 4 subunit B Authors: Tan, Y.W, Chen, G, Hung, A.W, Hill, J. Deposit date: 2015-05-27 Release date: 2015-06-17 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Application of Fragment-based Drug Discovery against DNA GyraseB to be published
5CPH	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment Descriptor: (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA gyrase subunit B, ... Authors: Andersen, O.A, Barker, J, 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: 2015-07-21 Release date: 2016-02-03 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
5CTU	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ... Authors: Andersen, O.A, Barker, J, 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 (1.45 Å) Cite: Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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
5CTX	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ... Authors: Andersen, O.A, Barker, J, 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 (1.6 Å) Cite: Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
5CTY	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... Authors: Andersen, O.A, Barker, J, 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 (1.6 Å) Cite: Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
5D6P	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ... Authors: Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. Deposit date: 2015-08-12 Release date: 2015-11-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
5D6Q	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-{4-[(E)-2-(pyridin-3-yl)ethenyl]-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl}urea, DNA gyrase subunit B, ... Authors: Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. Deposit date: 2015-08-12 Release date: 2015-11-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
5D7C	Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[1-(pyridin-2-yl)-6-(pyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]urea, DNA gyrase subunit B, ... Authors: Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. Deposit date: 2015-08-13 Release date: 2015-11-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015

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