6NRI

Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83

6NRI の概要

• エントリーDOI: 10.2210/pdb6nri/pdb
• 関連するPDBエントリー: 6NRF 6NRG 6NRH
• 分子名称: Poly [ADP-ribose] polymerase 1, (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, CITRIC ACID, ... (6 entities in total)
• 機能のキーワード: parp-1, poly(adp-ribose) polymerase, parp inhibitor, parp1, artd1, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 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: 30764.45

構造登録者

Langelier, M.F.,Pascal, J.M. (登録日: 2019-01-23, 公開日: 2019-08-14, 最終更新日: 2023-10-11)

• 主引用文献: Velagapudi, U.K.,Langelier, M.F.,Delgado-Martin, C.,Diolaiti, M.E.,Bakker, S.,Ashworth, A.,Patel, B.A.,Shao, X.,Pascal, J.M.,Talele, T.T.; Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.; J.Med.Chem., 62:5330-5357, 2019; PubMed: 31042381; DOI: 10.1021/acs.jmedchem.8b01709

実験手法

X-RAY DIFFRACTION (2.2 Å)