4YKX
| Heat Shock Protein 90 Bound to CS318 | 分子名称: | (5-chloro-2-hydroxyphenyl)(4-hydroxyphenyl)methanone, GLYCEROL, Heat shock protein HSP 90-alpha | 著者 | Kang, Y.N, Stuckey, J.A. | 登録日 | 2015-03-04 | 公開日 | 2016-03-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of Heat Shock Protein 90 Bound to CS318 To Be Published
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4R3M
| Crystal structure of Human Hsp90 with JR9 | 分子名称: | Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine | 著者 | Li, J, Yang, M, Ren, J, Xiong, B, He, J. | 登録日 | 2014-08-16 | 公開日 | 2014-11-05 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity. Org.Biomol.Chem., 13, 2015
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2YI6
| Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors. | 分子名称: | 4-[5-(4-ETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]-6-ETHYLBENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION | 著者 | Roe, S.M, Prodromou, C, Pearl, L.H. | 登録日 | 2011-05-10 | 公開日 | 2012-05-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors. Plos One, 7, 2012
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8W4V
| Crystal structure of human HSP90 in complex with compound 4 | 分子名称: | 4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzene-1,3-diol, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Xu, C, Zhang, X.L, Bai, F. | 登録日 | 2023-08-25 | 公開日 | 2024-04-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies. Jacs Au, 4, 2024
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1YC4
| Crystal structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles | 分子名称: | 4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE, Heat shock protein HSP 90-alpha | 著者 | Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X. | 登録日 | 2004-12-21 | 公開日 | 2005-02-22 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles. Bioorg.Med.Chem.Lett., 15, 2005
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4O04
| Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease | 分子名称: | 4-(2,7,7-trimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydro-9H-beta-carbolin-9-yl)benzamide, Heat shock protein HSP 90-alpha | 著者 | Zuccola, H.J, Ernst, J. | 登録日 | 2013-12-13 | 公開日 | 2014-12-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
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4AWP
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5ODX
| Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative | 分子名称: | 3-[(3~{S})-3-methoxypiperidin-1-yl]carbonyl-~{N}-methyl-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha | 著者 | Amaral, M, Schuetz, D. | 登録日 | 2017-07-07 | 公開日 | 2018-04-18 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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2YJX
| Tricyclic series of Hsp90 inhibitors | 分子名称: | 1-(3H-imidazo[4,5-c]pyridin-2-yl)-3,4-dihydropyrido[2,1-a]isoindol-6(2H)-one, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Dupuy, A, Vallee, F. | 登録日 | 2011-05-24 | 公開日 | 2011-10-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Tricyclic Series of Heat Shock Protein 90 (Hsp90) Inhibitors Part I: Discovery of Tricyclic Imidazo[4,5-C]Pyridines as Potent Inhibitors of the Hsp90 Molecular Chaperone. J.Med.Chem., 54, 2011
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4XIQ
| Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors | 分子名称: | 8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydroindolo[2,1-d][1,5]benzoxazepine-3-carboxamide, GLYCEROL, Heat shock protein HSP 90-alpha | 著者 | Neubert, T, Zuccola, H.J. | 登録日 | 2015-01-07 | 公開日 | 2015-03-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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4L93
| Crystal structure of Human Hsp90 with S36 | 分子名称: | 3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone, Heat shock protein HSP 90-alpha | 著者 | Li, J, Ren, J, Yang, M, Xiong, B, He, J. | 登録日 | 2013-06-18 | 公開日 | 2014-06-18 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.845 Å) | 主引用文献 | Crystal structure of Human Hsp90 with S36 To be Published
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6ELP
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4YKZ
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4YKW
| Heat Shock Protein 90 Bound to CS312 | 分子名称: | 4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha | 著者 | Kang, Y.N, Stuckey, J.A. | 登録日 | 2015-03-04 | 公開日 | 2016-03-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of Heat Shock Protein 90 Bound to CS312 To Be Published
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5LS1
| CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR166475 | 分子名称: | 2-[(4-oxidanylidenecyclohexyl)amino]-4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl)benzamide, Heat shock protein HSP 90-alpha | 著者 | Vallee, F, Dupuy, A. | 登録日 | 2016-08-22 | 公開日 | 2017-08-02 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR166475 To Be Published
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4YKT
| Heat Shock Protein 90 Bound to CS307 | 分子名称: | 1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha | 著者 | Kang, Y.N, Stuckey, J.A. | 登録日 | 2015-03-04 | 公開日 | 2016-03-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of Heat Shock Protein 90 Bound to CS307 To Be Published
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2QG0
| HSP90 complexed with A943037 | 分子名称: | Heat shock protein HSP 90-alpha, N-[(2-AMINO-6-METHYLPYRIMIDIN-4-YL)METHYL]-3-{[(E)-(2-OXODIHYDROFURAN-3(2H)-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE | 著者 | Park, C.H. | 登録日 | 2007-06-28 | 公開日 | 2008-07-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies. Chem.Biol.Drug Des., 70, 2007
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4XIT
| Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors | 分子名称: | 2-chloro-5-(furan-2-ylmethyl)-8,11,11-trimethyl-9-oxo-6,7,9,10,11,12-hexahydro-5H-indolo[1,2-a][1,5]benzodiazepine-3-carboxamide, GLYCEROL, Heat shock protein HSP 90-alpha | 著者 | Zuccola, H.J, Neubert, T. | 登録日 | 2015-01-07 | 公開日 | 2015-03-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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4O07
| Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease | 分子名称: | 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one, Heat shock protein HSP 90-alpha | 著者 | Zuccola, H.J, Ernst, J.T. | 登録日 | 2013-12-13 | 公開日 | 2014-04-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Identification of Novel HSP90 alpha / beta Isoform Selective Inhibitors Using Structure-Based Drug Design. Demonstration of Potential Utility in Treating CNS Disorders such as Huntington's Disease. J.Med.Chem., 57, 2014
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5LR7
| CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR567530 | 分子名称: | Heat shock protein HSP 90-alpha, ~{N}-[(9~{R})-4-(5-fluoranyl-1~{H}-benzimidazol-2-yl)-9~{H}-fluoren-9-yl]-1~{H}-pyrrolo[2,3-b]pyridine-4-carboxamide | 著者 | Vallee, F, Dupuy, A. | 登録日 | 2016-08-18 | 公開日 | 2017-08-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | CRYSTAL STRUCTURE OF HSP90 IN COMPLEX WITH SAR567530 To Be Published
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5J86
| Crystal Structure of Hsp90-alpha N-domain in complex with 2,4-Dihydroxy-N-methyl-5-(5-oxo-4-o-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl)-N-thiophen-2-ylmethyl-benzamide | 分子名称: | 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide, Heat shock protein HSP 90-alpha | 著者 | Amaral, M, Matias, P. | 登録日 | 2016-04-07 | 公開日 | 2017-12-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Protein conformational flexibility modulates kinetics and thermodynamics of drug binding. Nat Commun, 8, 2017
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5LNY
| HSP90 WITH indazole derivative | 分子名称: | 6-Hydroxy-3-(piperidine-1-carbonyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide, Heat shock protein HSP 90-alpha | 著者 | Graedler, U, Amaral, M, Schuetz, D. | 登録日 | 2016-08-08 | 公開日 | 2017-11-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J. Med. Chem., 61, 2018
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6GR3
| Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with AMPPNP | 分子名称: | AMP PHOSPHORAMIDATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION | 著者 | Tassone, G, Pozzi, C, Mangani, S, Botta, M. | 登録日 | 2018-06-08 | 公開日 | 2018-10-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart. Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6CEO
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3FT5
| Structure of HSP90 bound with a novel fragment | 分子名称: | 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha | 著者 | Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B. | 登録日 | 2009-01-12 | 公開日 | 2009-05-05 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-based Identification of Hsp90 Inhibitors. Chemmedchem, 4, 2009
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