9EXY
Crystal structure of the PWWP1 domain of NSD2 bound by compound 34.
This is a non-PDB format compatible entry.
Summary for 9EXY
Entry DOI | 10.2210/pdb9exy/pdb |
Descriptor | Histone-lysine N-methyltransferase NSD2, 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one (3 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 | 41272.62 |
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 Cited by PubMed: 38748070DOI: 10.1021/acs.jmedchem.4c00215 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.699 Å) |
Structure validation
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