4ISK

Crystal structure of E.coli thymidylate synthase with dUMP and the BGC 945 inhibitor

4ISK の概要

• エントリーDOI: 10.2210/pdb4isk/pdb
• 関連するPDBエントリー: 1AN5 1AXW 1HVY 2KCE
• 分子名称: Thymidylate synthase, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, MAGNESIUM ION, ... (6 entities in total)
• 機能のキーワード: alpha/beta protein, methylase, methyltransferase, dump subtrate, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Escherichia coli
• 細胞内の位置: Cytoplasm: P0A884
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 252304.06

構造登録者

Tochowicz, A.,Finer-Moore, J.,Stroud, R.M. (登録日: 2013-01-16, 公開日: 2013-12-25, 最終更新日: 2014-02-12)

• 主引用文献: Tochowicz, A.,Dalziel, S.,Eidam, O.,O'Connell, J.D.,Griner, S.,Finer-Moore, J.S.,Stroud, R.M.; Development and Binding Mode Assessment of N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-gamma-glutamyl-d-glutamic Acid (BGC 945), a Novel Thymidylate Synthase Inhibitor That Targets Tumor Cells.; J.Med.Chem., 56:5446-5455, 2013; PubMed: 23710599; DOI: 10.1021/jm400490e

実験手法

X-RAY DIFFRACTION (1.752 Å)