5UY8

Crystal structure of AICARFT bound to an antifolate

Summary for 5UY8

• Entry DOI: 10.2210/pdb5uy8/pdb
• Related: 5UZ0
• Descriptor: Bifunctional purine biosynthesis protein PURH, 5-[(5S)-5-ethyl-5-methyl-6-oxo-1,4,5,6-tetrahydropyridin-3-yl]-N-(6-fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)thiophene-2-sulfonamide, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, ... (5 entities in total)
• Functional Keywords: aicar, aicarft, amz, transferase, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 267486.51

Authors

Wang, J.,Wang, Y.,Fales, K.R.,Atwell, S.,Clawson, D. (deposition date: 2017-02-23, release date: 2018-01-10, Last modification date: 2024-03-06)

• Primary citation: Fales, K.R.,Njoroge, F.G.,Brooks, H.B.,Thibodeaux, S.,Torrado, A.,Si, C.,Toth, J.L.,Mc Cowan, J.R.,Roth, K.D.,Thrasher, K.J.,Frimpong, K.,Lee, M.R.,Dally, R.D.,Shepherd, T.A.,Durham, T.B.,Margolis, B.J.,Wu, Z.,Wang, Y.,Atwell, S.,Wang, J.,Hui, Y.H.,Meier, T.I.,Konicek, S.A.,Geeganage, S.; Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model.; J. Med. Chem., 60:9599-9616, 2017; PubMed: 29072452; DOI: 10.1021/acs.jmedchem.7b01046

Experimental method

X-RAY DIFFRACTION (2.39 Å)