PDB: 431 resultsInfo pagesStatus searchChemie searchBIRD

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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
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
7DQW	E. coli GyrB ATPase domain in complex with 4-chlorophenol Descriptor: 1H-benzimidazol-2-amine, 4-chlorophenol, DNA gyrase subunit B, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-24 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DPS	E. coli GyrB ATPase domain in complex with Methyl 4-hydroxycinnamate Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-21 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.26 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DPR	E. coli GyrB ATPase domain in complex with methyl 3,4-dihydroxybenzoate Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-21 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DQM	E. coli GyrB ATPase domain in complex with Naringenin Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-24 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DQH	E. coli GyrB ATPase domain in complex with 2-hydroxybenzamide Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-23 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DQS	E. coli GyrB ATPase domain in complex with 2-chlorophenol Descriptor: 1H-benzimidazol-2-amine, 2-CHLOROPHENOL, DNA gyrase subunit B, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-24 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DQI	E. coli GyrB ATPase domain in complex with Esculetin Descriptor: 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-23 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DQJ	E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone Descriptor: 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-24 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.92 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DQL	E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol Descriptor: 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-24 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DOR	E. coli GyrB ATPase domain in complex with 4-nitropheno Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, P-NITROPHENOL, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-16 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.89 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DQF	E. coli GyrB ATPase domain in complex with methyl 2,4-dihydroxybenzoate Descriptor: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-23 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
7DQU	E. coli GyrB ATPase domain in complex with methyl 4-hydroxybenzoate Descriptor: 1H-benzimidazol-2-amine, 4-HYDROXY-BENZOIC ACID METHYL ESTER, DNA gyrase subunit B, ... Authors: Yu, Y, Zhou, H. Deposit date: 2020-12-24 Release date: 2021-10-27 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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
4DUH	Crystal structure of 24 kDa domain of E. coli DNA gyrase B in complex with small molecule inhibitor Descriptor: 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B Authors: Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D. Deposit date: 2012-02-22 Release date: 2012-08-01 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Structure-based discovery of substituted 4,5'-bithiazoles as novel DNA gyrase inhibitors. J.Med.Chem., 55, 2012
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
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
4GEE	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: (1R,5S,6s)-3-[5-chloro-6-ethyl-2-(pyrimidin-5-yloxy)-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, Chen, Z, Tari, L.W. Deposit date: 2012-08-01 Release date: 2013-02-13 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7 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
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
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

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