4XJS

Human CD38 complexed with inhibitor 1 [6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide]

4XJS の概要

• エントリーDOI: 10.2210/pdb4xjs/pdb
• 関連するPDBエントリー: 4XJT
• 分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide, 5-O-phosphono-alpha-D-ribofuranose, ... (4 entities in total)
• 機能のキーワード: cd38, hydrolase, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 30961.09

構造登録者

Shewchuk, L.M.,Deaton, D.,Stewart, E. (登録日: 2015-01-09, 公開日: 2015-08-26, 最終更新日: 2023-09-27)

• 主引用文献: Becherer, J.D.,Boros, E.E.,Carpenter, T.Y.,Cowan, D.J.,Deaton, D.N.,Haffner, C.D.,Jeune, M.R.,Kaldor, I.W.,Poole, J.C.,Preugschat, F.,Rheault, T.R.,Schulte, C.A.,Shearer, B.G.,Shearer, T.W.,Shewchuk, L.M.,Smalley, T.L.,Stewart, E.L.,Stuart, J.D.,Ulrich, J.C.; Discovery of 4-Amino-8-quinoline Carboxamides as Novel, Submicromolar Inhibitors of NAD-Hydrolyzing Enzyme CD38.; J.Med.Chem., 58:7021-7056, 2015; PubMed: 26267483; DOI: 10.1021/acs.jmedchem.5b00992

実験手法

X-RAY DIFFRACTION (2.8 Å)