PDB: 493 件ウェブページステータス検索Chemie searchBIRD

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9MSQ	Candida albicans Hsp90 nucleotide binding domain in complex with HSP990 分子名称: (7R)-2-amino-7-[4-fluoro-2-(6-methoxypyridin-2-yl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-one, Heat shock protein 90 homolog 著者 Kowalewski, M.E, Redinbo, M.R. 登録日 2025-01-10 公開日 2025-06-04 最終更新日 2025-06-18 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry, 64, 2025
9MSX	Candida albicans Hsp90 nucleotide binding domain in complex with TAS116 分子名称: (4P)-3-ethyl-4-[(4P)-4-[(4M)-4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]benzamide, 1,2-ETHANEDIOL, Heat shock protein 90 homolog 著者 Kowalewski, M.E, Redinbo, M.R. 登録日 2025-01-10 公開日 2025-06-04 最終更新日 2025-06-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry, 64, 2025
9MT3	Candida albicans Hsp90 nucleotide binding domain in complex with XL888 分子名称: 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, Heat shock protein 90 homolog 著者 Kowalewski, M.E, Redinbo, M.R. 登録日 2025-01-10 公開日 2025-06-04 最終更新日 2025-06-18 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry, 64, 2025
9MTB	Candida albicans Hsp90 nucleotide binding domain in complex with AMPPNP 分子名称: Heat shock protein 90 homolog, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Kowalewski, M.E, Redinbo, M.R. 登録日 2025-01-10 公開日 2025-06-04 最終更新日 2025-06-18 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry, 64, 2025
1I5B	STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADPNP AND MANGANESE 分子名称: ACETATE ION, CHEMOTAXIS PROTEIN CHEA, MANGANESE (II) ION, ... 著者 Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I. 登録日 2001-02-26 公開日 2001-08-26 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Nucleotide binding by the histidine kinase CheA. Nat.Struct.Biol., 8, 2001
9MSU	Candida albicans Hsp90 nucleotide binding domain in complex with BX2819 分子名称: 1,2-ETHANEDIOL, Heat shock protein 90 homolog, ethyl (4-{3-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}benzyl)carbamate 著者 Kowalewski, M.E, Redinbo, M.R. 登録日 2025-01-10 公開日 2025-06-04 最終更新日 2025-06-18 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Structural Insights into Selectively Targeting Candida albicans Hsp90. Biochemistry, 64, 2025
8DWZ	CA domain of VanSA histidine kinase, 7 keV data 分子名称: CADMIUM ION, Sensor protein VanS 著者 Loll, P.J. 登録日 2022-08-02 公開日 2023-03-22 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding. J.Biol.Chem., 299, 2023
8DVQ	CA domain of VanSA histidine kinase 分子名称: CADMIUM ION, Sensor protein VanS 著者 Loll, P.J. 登録日 2022-07-29 公開日 2023-03-22 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding. J.Biol.Chem., 299, 2023
8DX0	VanSC CA domain 分子名称: Histidine kinase, MAGNESIUM ION 著者 Loll, P.J. 登録日 2022-08-02 公開日 2023-03-22 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structure of VanS from vancomycin-resistant enterococci: A sensor kinase with weak ATP binding. J.Biol.Chem., 299, 2023
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
1ID0	CRYSTAL STRUCTURE OF THE NUCLEOTIDE BOND CONFORMATION OF PHOQ KINASE DOMAIN 分子名称: MAGNESIUM ION, PHOQ HISTIDINE KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Marina, A, Mott, C, Auyzenberg, A, Waldburger, C.D, Hendrickson, W.A. 登録日 2001-04-02 公開日 2001-10-17 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural and mutational analysis of the PhoQ histidine kinase catalytic domain. Insight into the reaction mechanism. J.Biol.Chem., 276, 2001
1I59	STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ADPNP AND MAGENSIUM 分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHEMOTAXIS PROTEIN CHEA, ... 著者 Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I. 登録日 2001-02-26 公開日 2001-08-26 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Nucleotide binding by the histidine kinase CheA. Nat.Struct.Biol., 8, 2001
1I58	STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ATP ANALOG ADPCP AND MAGNESIUM 分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHEMOTAXIS PROTEIN CHEA, ... 著者 Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I. 登録日 2001-02-26 公開日 2001-08-26 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Nucleotide binding by the histidine kinase CheA. Nat.Struct.Biol., 8, 2001
1I5A	STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADPCP AND MANGANESE 分子名称: CHEMOTAXIS PROTEIN CHEA, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER 著者 Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I. 登録日 2001-02-26 公開日 2001-08-26 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Nucleotide binding by the histidine kinase CheA. Nat.Struct.Biol., 8, 2001
1I5D	STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH TNP-ATP 分子名称: CHEMOTAXIS PROTEIN CHEA, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, SULFATE ION 著者 Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I. 登録日 2001-02-26 公開日 2001-08-26 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Nucleotide binding by the histidine kinase CheA. Nat.Struct.Biol., 8, 2001
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
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
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
5Z9E	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... 著者 Huang, X, Zhou, H. 登録日 2018-02-02 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
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
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
5Z9Q	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ... 著者 Huang, X, Zhou, H. 登録日 2018-02-04 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z9B	Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine 分子名称: (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... 著者 Huang, X, Zhou, H. 登録日 2018-02-02 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
5Z9M	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1-benzofuran-2-carboxylic acid, DNA gyrase subunit B, SULFATE ION 著者 Huang, X, Zhou, H. 登録日 2018-02-03 公開日 2018-12-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.74 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018

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