PDB: 431 件ウェブページステータス検索Chemie searchBIRD

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3CGZ	Crystal Structure of Salmonella Sensor Kinase PhoQ catalytic domain 分子名称: Virulence sensor histidine kinase phoQ 著者 Guarnieri, M.T, Zhang, L, Shen, J, Zhao, R. 登録日 2008-03-06 公開日 2008-05-13 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 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. 分子名称: 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 著者 Roe, S.M, Parry-Morris, S, Prodromou, C. 登録日 2013-11-08 公開日 2014-01-29 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, 4-chlorophenol, DNA gyrase subunit B, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-24 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-21 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.26 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-21 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-24 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-23 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, 2-CHLOROPHENOL, DNA gyrase subunit B, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-24 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-23 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 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 分子名称: 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-24 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-24 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, P-NITROPHENOL, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-16 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-23 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 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 分子名称: 1H-benzimidazol-2-amine, 4-HYDROXY-BENZOIC ACID METHYL ESTER, DNA gyrase subunit B, ... 著者 Yu, Y, Zhou, H. 登録日 2020-12-24 公開日 2021-10-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 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 分子名称: ADENOSINE-5'-TRIPHOSPHATE, IODIDE ION, MAGNESIUM ION, ... 著者 Trajtenberg, F, Buschiazzo, A. 登録日 2008-09-12 公開日 2009-09-15 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 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 分子名称: 4-{[4'-methyl-2'-(propanoylamino)-4,5'-bi-1,3-thiazol-2-yl]amino}benzoic acid, DNA gyrase subunit B 著者 Brvar, M, Renko, M, Perdih, A, Solmajer, T, Turk, D. 登録日 2012-02-22 公開日 2012-08-01 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 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 分子名称: DNA gyrase subunit B, methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate 著者 Wei, Y, Charisfon, P. 登録日 2009-02-09 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 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 分子名称: 1-(4-acetyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea, DNA topoisomerase 4 subunit B 著者 Wei, Y, Charifson, P, LeTiran, A. 登録日 2009-01-15 公開日 2010-01-26 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 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 分子名称: 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 著者 Wei, Y, Charifson, P. 登録日 2009-02-09 公開日 2010-02-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 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 分子名称: 4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole, DNA gyrase subunit B 著者 Wei, Y, Charifson, P. 登録日 2009-02-09 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 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 分子名称: 1,2-ETHANEDIOL, Heat shock protein 83-1, MAGNESIUM ION, ... 著者 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) 登録日 2009-04-28 公開日 2009-05-26 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 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 分子名称: (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 著者 Bensen, D.C, Trzoss, M, Tari, L.W. 登録日 2012-08-03 公開日 2013-02-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 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. 分子名称: (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 著者 Bensen, D.C, Chen, Z, Tari, L.W. 登録日 2012-08-01 公開日 2013-02-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 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 分子名称: 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 著者 Bensen, D.C, Creighton, C.J, Tari, L.W. 登録日 2012-08-06 公開日 2013-02-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 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 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Sensor protein vraS 著者 Leonard, P.G, Valverde, J, Stock, A.M. 登録日 2012-08-28 公開日 2013-08-28 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Structure of the Staphylococcus aureus VraS Catalytic and ATP-binding Domain To be Published

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