5W77

Solution structure of the MYC G-quadruplex bound to small molecule DC-34

Summary for 5W77

• Entry DOI: 10.2210/pdb5w77/pdb
• NMR Information: BMRB: 27144
• Descriptor: DNA (5'-D(*TP*GP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*AP*A)-3'), POTASSIUM ION, 4-[(azepan-1-yl)methyl]-5-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide (3 entities in total)
• Functional Keywords: c-myc promoter dna-inhibitor complex, c-myc promoter g-quadruplex, dna, dna-inhibitor complex, dna/inhibitor
• Biological source: Homo sapiens
• Total number of polymer chains: 1
• Total formula weight: 7979.63

Authors

Chen, X.,Walters, K.J. (deposition date: 2017-06-19, release date: 2018-10-24, Last modification date: 2024-05-15)

• Primary citation: Calabrese, D.R.,Chen, X.,Leon, E.C.,Gaikwad, S.M.,Phyo, Z.,Hewitt, W.M.,Alden, S.,Hilimire, T.A.,He, F.,Michalowski, A.M.,Simmons, J.K.,Saunders, L.B.,Zhang, S.,Connors, D.,Walters, K.J.,Mock, B.A.,Schneekloth Jr., J.S.; Chemical and structural studies provide a mechanistic basis for recognition of the MYC G-quadruplex.; Nat Commun, 9:4229-4229, 2018; PubMed: 30315240; DOI: 10.1038/s41467-018-06315-w

Experimental method

SOLUTION NMR