9EXW

Crystal structure of the PWWP1 domain of NSD2 bound by compound 17.

This is a non-PDB format compatible entry.

Summary for 9EXW

• Entry DOI: 10.2210/pdb9exw/pdb
• Descriptor: Histone-lysine N-methyltransferase NSD2, 1,2-ETHANEDIOL, 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one, ... (4 entities in total)
• Functional Keywords: methyl transferase, inhibitor, cancer drug discovery, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 39931.53

Authors

Collie, G.W. (deposition date: 2024-04-09, release date: 2024-05-29, Last modification date: 2024-06-19)

• Primary citation: Carlino, L.,Astles, P.C.,Ackroyd, B.,Ahmed, A.,Chan, C.,Collie, G.W.,Dale, I.L.,O'Donovan, D.H.,Fawcett, C.,di Fruscia, P.,Gohlke, A.,Guo, X.,Hao-Ru Hsu, J.,Kaplan, B.,Milbradt, A.G.,Northall, S.,Petrovic, D.,Rivers, E.L.,Underwood, E.,Webb, A.; Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.; J.Med.Chem., 67:8962-8987, 2024; PubMed: 38748070; DOI: 10.1021/acs.jmedchem.4c00215

Experimental method

X-RAY DIFFRACTION (2.43 Å)