3L3M

PARP complexed with A927929

3L3M の概要

• エントリーDOI: 10.2210/pdb3l3m/pdb
• 関連するPDBエントリー: 2RCW 2RD6 3GJW 3GN7
• 分子名称: Poly [ADP-ribose] polymerase 1, 2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide (3 entities in total)
• 機能のキーワード: protein-inhibitor complex, acetylation, adp-ribosylation, dna damage, dna repair, dna-binding, glycosyltransferase, metal-binding, nad, nucleus, phosphoprotein, transcription, transcription regulation, transferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus: P09874
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 39507.19

構造登録者

Park, C.H. (登録日: 2009-12-17, 公開日: 2010-06-23, 最終更新日: 2024-04-03)

• 主引用文献: Penning, T.D.,Zhu, G.D.,Gong, J.,Thomas, S.,Gandhi, V.B.,Liu, X.,Shi, Y.,Klinghofer, V.,Johnson, E.F.,Park, C.H.,Fry, E.H.,Donawho, C.K.,Frost, D.J.,Buchanan, F.G.,Bukofzer, G.T.,Rodriguez, L.E.,Bontcheva-Diaz, V.,Bouska, J.J.,Osterling, D.J.,Olson, A.M.,Marsh, K.C.,Luo, Y.,Giranda, V.L.; Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor.; J.Med.Chem., 53:3142-3153, 2010; PubMed: 20337371; DOI: 10.1021/jm901775y

実験手法

X-RAY DIFFRACTION (2.5 Å)