7NXN

CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND SMALL MOLECULE INHIBITOR COMPOUND 21(5-F)

7NXN の概要

• エントリーDOI: 10.2210/pdb7nxn/pdb
• 関連するPDBエントリー: 7NTR 7NWA 7NWB 7NWC 7NWE 7NWM
• 分子名称: Branched-chain-amino-acid aminotransferase, cytosolic, 4-[6-[bis(fluoranyl)-phenyl-methyl]-2,4-bis(oxidanylidene)-1~{H}-pyrimidin-3-yl]-5-fluoranyl-2-(2-methylphenoxy)benzenecarbonitrile, PYRIDOXAL-5'-PHOSPHATE, ... (5 entities in total)
• 機能のキーワード: branched-chain-amino-acid aminotransferase, pyridoxal-phosphate-dependent aminotransferase, transferase, small molecule inhibitor
• 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: 88026.03

構造登録者

Hillig, R.C. (登録日: 2021-03-19, 公開日: 2022-11-02, 最終更新日: 2024-01-31)

• 主引用文献: Gunther, J.,Hillig, R.C.,Zimmermann, K.,Kaulfuss, S.,Lemos, C.,Nguyen, D.,Rehwinkel, H.,Habgood, M.,Lechner, C.,Neuhaus, R.,Ganzer, U.,Drewes, M.,Chai, J.,Bouche, L.; BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.; J.Med.Chem., 65:14366-14390, 2022; PubMed: 36261130; DOI: 10.1021/acs.jmedchem.2c00441

実験手法

X-RAY DIFFRACTION (1.7 Å)