2NV7

Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555

2NV7 の概要

• エントリーDOI: 10.2210/pdb2nv7/pdb
• 分子名称: Estrogen receptor beta, Nuclear receptor coactivator 1, 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME, ... (4 entities in total)
• 機能のキーワード: estrogen receptor, estrogen receptor beta, er-beta, er, estrogen, nuclear receptor, transcription factor, agonist, structural genomics, nppsfa, national project on protein structural and functional analyses, riken structural genomics/proteomics initiative, rsgi, transcription
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Nucleus: Q92731; Nucleus (By similarity): Q15788
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 56683.31

構造登録者

Mewshaw, R.E.,Bowen, M.S.,Harris, H.A.,Xu, Z.B.,Manas, E.S.,Cohn, S.T.,RIKEN Structural Genomics/Proteomics Initiative (RSGI) (登録日: 2006-11-10, 公開日: 2007-08-21, 最終更新日: 2024-04-03)

主引用文献

Mewshaw, R.E.,Bowen, S.M.,Harris, H.A.,Xu, Z.B.,Manas, E.S.,Cohn, S.T.
ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives.
Bioorg.Med.Chem.Lett., 17:902-906, 2007

PubMed Abstract: A series of 4'-hydroxyphenyl-aryl-carbaldehyde oximes (5b) was prepared and found to have high affinity (4nM) and modest selectivity (39-fold) for estrogen receptor-beta (ERbeta). Substitution of one of the core rings of the scaffold based around these novel ligands further expanded our knowledge in the quest toward achieving high affinity and selectivity for ERbeta. An X-ray co-crystal of structure 11 revealed that the oxime moiety was mimicking the C-ring of genistein, as previously predicted by SAR and docking studies.

PubMed: 17188490
DOI: 10.1016/j.bmcl.2006.11.066

実験手法

X-RAY DIFFRACTION (2.1 Å)