9FOC

Crystal structure of the PWWP1 domain of NSD2 bound by compound 11.

これはPDB形式変換不可エントリーです。

9FOC の概要

• エントリーDOI: 10.2210/pdb9foc/pdb
• 分子名称: Histone-lysine N-methyltransferase NSD2, (2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide, (2S)-1-[4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide, ... (4 entities in total)
• 機能のキーワード: drug discovery, nsd2, del, cancer, transferase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 40770.66

構造登録者

Collie, G.W. (登録日: 2024-06-11, 公開日: 2025-09-03, 最終更新日: 2025-10-01)

主引用文献

Collie, G.W.,Ackroyd, B.,Corbishley, C.,O'Donovan, D.H.,Edwards, A.,Gohlke, A.,Guo, X.,Howells, B.,Li, Y.,Madin, A.,Milbradt, A.G.,Rivers, E.L.,Talapatra, S.K.,Underwood, E.,Webb, A.
Structural and Molecular Insight into the PWWP1 Domain of NSD2 from the Discovery of Novel Binders Via DNA-Encoded Library Screening.
Acs Med.Chem.Lett., 16:1703-1708, 2025

PubMed Abstract: NSD2 is a key epigenetic regulator and has received considerable attention as a drug target due to its well-documented role in tumorigenesis. We report here a DNA-encoded library screen targeting the PWWP1 domain of NSD2 from which we discovered novel, potent, and selective binders. Furthermore, these compounds were used to develop a novel crystal system, increasing our understanding of the folding of this domain. Together, these results provide a solid molecular and structural basis for the further study of the PWWP1 domain of NSD2 as a cancer drug target.

PubMed: 40959233
DOI: 10.1021/acsmedchemlett.5c00396

実験手法

X-RAY DIFFRACTION (1.618 Å)