8QM6
 
 | Potential drug binding sites for translation initiation factor eIF4E | 分子名称: | (1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol, (1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cleasby, A. | 登録日 | 2023-09-21 | 公開日 | 2025-01-15 | 最終更新日 | 2025-03-12 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Integrating fragment-based screening with targeted protein degradation and genetic rescue to explore eIF4E function. Nat Commun, 15, 2024
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8QM4
 
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4EZ5
 
 | CDK6 (monomeric) in complex with inhibitor | 分子名称: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | 著者 | Chopra, R, Xu, M. | 登録日 | 2012-05-02 | 公開日 | 2013-02-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors. ACS Med Chem Lett, 3, 2012
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2XAB
 
 | Structure of HSP90 with an inhibitor bound | 分子名称: | 4-(1,3-DIHYDRO-2H-ISOINDOL-2-YLCARBONYL)-6-(1-METHYLETHYL)BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA, | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, m, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brian, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | 登録日 | 2010-03-30 | 公開日 | 2010-08-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2XJJ
 
 | Structure of HSP90 with small molecule inhibitor bound | 分子名称: | 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE, GLYCEROL, HEAT SHOCK PROTEIN HSP 90-ALPHA | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | 登録日 | 2010-07-06 | 公開日 | 2010-08-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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2XJX
 
 | Structure of HSP90 with small molecule inhibitor bound | 分子名称: | HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib | 著者 | Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A. | 登録日 | 2010-07-06 | 公開日 | 2010-08-11 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design. J.Med.Chem., 53, 2010
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8CAA
 
 | Crystal structure of TEAD4 in complex with YTP-13 | 分子名称: | (2~{R})-2-[2-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]phenyl]sulfanylpropanoic acid, 4-[bis(fluoranyl)methoxy]-2-[(2~{S})-5-chloranyl-6-fluoranyl-2-[[(4-oxidanylcyclohexyl)amino]methyl]-2-phenyl-3~{H}-1-benzofuran-4-yl]-3-fluoranyl-benzamide, PHOSPHATE ION, ... | 著者 | Scheufler, C, Kallen, J. | 登録日 | 2023-01-24 | 公開日 | 2023-04-12 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.999 Å) | 主引用文献 | Optimization of a Class of Dihydrobenzofurane Analogs toward Orally Efficacious YAP-TEAD Protein-Protein Interaction Inhibitors. Chemmedchem, 18, 2023
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5JAU
 
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5JAN
 
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5JAT
 
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5JAR
 
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5JAL
 
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5JAS
 
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5JAD
 
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5JAH
 
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5JAO
 
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8QID
 
 | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with fragment | 分子名称: | 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | 著者 | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | 登録日 | 2023-09-12 | 公開日 | 2024-07-24 | 最終更新日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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8QJ8
 
 | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | 分子名称: | 3-[3-(3-azanyl-2-cyano-phenyl)indol-1-yl]propanoic acid, Phosphopantetheine adenylyltransferase | 著者 | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | 登録日 | 2023-09-12 | 公開日 | 2024-07-24 | 最終更新日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.538 Å) | 主引用文献 | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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8QIX
 
 | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | 分子名称: | 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase | 著者 | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | 登録日 | 2023-09-12 | 公開日 | 2024-07-24 | 最終更新日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.579 Å) | 主引用文献 | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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8QIY
 
 | Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | 分子名称: | 1-(2-aminophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase | 著者 | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | 登録日 | 2023-09-12 | 公開日 | 2024-07-24 | 最終更新日 | 2024-09-11 | 実験手法 | X-RAY DIFFRACTION (1.5149 Å) | 主引用文献 | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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9DI9
 
 | Rat branched chain ketoacid dehydrogenase kinase in complex with inhibitor | 分子名称: | (3M)-6-fluoro-3-(2,4,5-trifluoro-3-methoxyphenyl)-1-benzothiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, Branched-chain alpha-ketoacid dehydrogenase kinase, ... | 著者 | Liu, S. | 登録日 | 2024-09-05 | 公開日 | 2024-11-27 | 最終更新日 | 2025-02-26 | 実験手法 | X-RAY DIFFRACTION (2.155 Å) | 主引用文献 | Discovery of First Branched-Chain Ketoacid Dehydrogenase Kinase (BDK) Inhibitor Clinical Candidate PF-07328948. J.Med.Chem., 68, 2025
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1YON
 
 | Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate | 分子名称: | 2-dehydropantoate 2-reductase, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | 著者 | Ciulli, A, Lobley, C.M.C, Tuck, K.L, Williams, G, Smith, A.G, Blundell, T.L, Abell, C. | 登録日 | 2005-01-28 | 公開日 | 2006-04-18 | 最終更新日 | 2024-11-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study. Acta Crystallogr.,Sect.D, 63, 2007
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