PDB: 442 件ウェブページステータス検索Chemie searchBIRD

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5Z9P	Bacterial GyrB ATPase domain in complex with a chemical fragment 分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, MAGNESIUM ION 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 (1.45 Å) 主引用文献 Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes Medchemcomm, 9, 2018
4XCL	N-terminal domain of Hsp90 from Dictyostelium discoideum in complex with AGS 分子名称: Heat shock cognate 90 kDa protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER 著者 Raman, S, Suguna, K. 登録日 2014-12-18 公開日 2015-12-09 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 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 分子名称: DI(HYDROXYETHYL)ETHER, Heat shock cognate 90 kDa protein, MAGNESIUM ION, ... 著者 Raman, S, Suguna, K. 登録日 2014-12-17 公開日 2015-12-09 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 First Structural View of a Peptide Interacting with the Nucleotide Binding Domain of Heat Shock Protein 90 Sci Rep, 5, 2015
6BLK	Mycobacterial sensor histidine kinase MprB 分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Signal transduction histidine-protein kinase/phosphatase mprB 著者 Li, J, Korotkova, N, Korotkov, K.V. 登録日 2017-11-10 公開日 2017-11-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.552 Å) 主引用文献 Mycobacterial sensor histidine kinase MprB to be published
1ZWH	Yeast Hsp82 in complex with the novel Hsp90 inhibitor Radester amine 分子名称: 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE, ATP-dependent molecular chaperone HSP82 著者 Immormino, R.M, Blagg, B.S, Gewirth, D.T. 登録日 2005-06-03 公開日 2006-06-13 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Inhibitory Ligands Adopt Different Conformations When Bound to Hsp90 or GRP94: Implications for Paralog-specific Drug Design To be Published
2AKP	Hsp90 Delta24-N210 mutant 分子名称: ATP-dependent molecular chaperone HSP82 著者 Richter, K, Moser, S, Hagn, F, Friedrich, R, Hainzl, O, Heller, M, Schlee, S, Kessler, H, Reinstein, J, Buchner, J. 登録日 2005-08-03 公開日 2006-01-31 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Intrinsic inhibition of the Hsp90 ATPase activity. J.Biol.Chem., 281, 2006
6CJI	Candida albicans Hsp90 nucleotide binding domain 分子名称: 1,2-ETHANEDIOL, Heat shock protein 90 homolog 著者 Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC) 登録日 2018-02-26 公開日 2019-01-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus. Nat Commun, 10, 2019
6CJR	Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112 分子名称: 1,2-ETHANEDIOL, 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein 90 homolog 著者 Kirkpatrick, M.G, Pizarro, J.C. 登録日 2018-02-26 公開日 2019-01-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus. Nat Commun, 10, 2019
6CJJ	Candida albicans Hsp90 nucleotide binding domain in complex with ADP 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 90 homolog, ... 著者 Hutchinson, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, STRUCTURAL GENOMICS CONSORTIUM, S.G.C, Pizarro, J.C, Structural Genomics Consortium (SGC) 登録日 2018-02-26 公開日 2019-01-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus. Nat Commun, 10, 2019
6CJS	Candida albicans Hsp90 nucleotide binding domain in complex with AUY922 分子名称: 1,2-ETHANEDIOL, 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, Heat shock protein 90 homolog 著者 Kirkpatrick, M.G, Pizarro, J.C. 登録日 2018-02-26 公開日 2019-01-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus. Nat Commun, 10, 2019
6CJL	Candida albicans Hsp90 nucleotide binding domain in complex with radicicol 分子名称: Heat shock protein 90 homolog, MAGNESIUM ION, RADICICOL 著者 Nation, C, Pizarro, J.C. 登録日 2018-02-26 公開日 2019-01-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.6972 Å) 主引用文献 Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus. Nat Commun, 10, 2019
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
2CGF	A RADICICOL ANALOGUE BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE 分子名称: (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 著者 Roe, S.M, Prodromou, C, Pearl, L.H, Moody, C.J. 登録日 2006-03-02 公開日 2006-11-29 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Inhibition of Hsp90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol. Chem.Biol., 13, 2006
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
2BRC	Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90. 分子名称: 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 著者 Roe, S.M, Pearl, L.H, Prodromou, C. 登録日 2005-05-04 公開日 2005-09-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors. Bioorg. Med. Chem. Lett., 15, 2005
2BRE	STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90. 分子名称: 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82 著者 Roe, S.M, Pearl, L.H, Prodromou, C. 登録日 2005-05-04 公開日 2005-09-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors. Bioorg. Med. Chem. Lett., 15, 2005
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
6CJP	Candida albicans Hsp90 nucleotide binding domain in complex with radicicol 分子名称: (1aR,2Z,4E,6E,14R,15aR)-9,11-dihydroxy-6-{[(4-methoxyphenyl)methoxy]imino}-14-methyl-1a,6,7,14,15,15a-hexahydro-12H-oxireno[e][2]benzoxacyclotetradecin-12-one, Heat shock protein 90 homolog 著者 Nation, C, Pizarro, J.C. 登録日 2018-02-26 公開日 2019-01-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus. Nat Commun, 10, 2019
6F8J	Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-(1H-pyrazol-1-yl)-N-(pyridin-3-yl)pyridine-3-carboxamide 分子名称: 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B 著者 Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. 登録日 2017-12-13 公開日 2019-06-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
6F96	Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(4-methoxyphenyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide 分子名称: 6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B 著者 Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. 登録日 2017-12-14 公開日 2019-01-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
6F86	Crystal Structure of E. coli GyraseB 24kDa in complex with 4-(4-bromo-1H-pyrazol-1-yl)-6-[(ethylcarbamoyl)amino]-N-(pyridin-3-yl)pyridine-3-carboxamide 分子名称: 4-(4-bromanylpyrazol-1-yl)-6-(ethylcarbamoylamino)-~{N}-pyridin-3-yl-pyridine-3-carboxamide, DNA gyrase subunit B 著者 Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. 登録日 2017-12-12 公開日 2019-06-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
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
6F94	Crystal Structure of E. coli GyraseB 24kDa in complex with 6-[(ethylcarbamoyl)amino]-4-[(3-methyphenyl)amino]-N-(3-methyphenyl)pyridine-3-carboxamide 分子名称: 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide, DNA gyrase subunit B 著者 Narramore, S.K, Stevenson, C.E.M, Lawson, D.M, Maxwell, A, Fishwick, C.W.G. 登録日 2017-12-14 公開日 2019-06-26 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 New insights into the binding mode of pyridine-3-carboxamide inhibitors of E. coli DNA gyrase. Bioorg.Med.Chem., 27, 2019
4HZ0	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-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-amine, DNA topoisomerase 4 subunit B, MAGNESIUM ION 著者 Bensen, D.C, Trzoss, M, Tari, L.W. 登録日 2012-11-14 公開日 2013-02-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.2 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
4HYP	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: DNA gyrase subunit B, MAGNESIUM ION, N-[7-(1H-imidazol-1-yl)-2-(pyridin-3-yl)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]cyclopropanecarboxamide 著者 Bensen, D.C, Creighton, C.J, Tari, L.W. 登録日 2012-11-13 公開日 2013-02-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.6 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

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