5EBT

Tankyrase 1 with Phthalazinone 2

5EBT の概要

• エントリーDOI: 10.2210/pdb5ebt/pdb
• 分子名称: Tankyrase-1, (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, ... (5 entities in total)
• 機能のキーワード: tankyrase, parp, centrosome clustering, oncology, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: O95271
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 99021.25

構造登録者

Kazmirski, S.L.,Johannes, J. (登録日: 2015-10-19, 公開日: 2016-03-02, 最終更新日: 2024-03-06)

• 主引用文献: Johannes, J.W.,Almeida, L.,Daly, K.,Ferguson, A.D.,Grosskurth, S.E.,Guan, H.,Howard, T.,Ioannidis, S.,Kazmirski, S.,Lamb, M.L.,Larsen, N.A.,Lyne, P.D.,Mikule, K.,Ogoe, C.,Peng, B.,Petteruti, P.,Read, J.A.,Su, N.,Sylvester, M.,Throner, S.,Wang, W.,Wang, X.,Wu, J.,Ye, Q.,Yu, Y.,Zheng, X.,Scott, D.A.; Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.; Bioorg.Med.Chem.Lett., 25:5743-5747, 2015; PubMed: 26546219; DOI: 10.1016/j.bmcl.2015.10.079

実験手法

X-RAY DIFFRACTION (2.24 Å)