4ZZX

Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor

4ZZX の概要

関連するPDBエントリー4ZZY 4ZZZ 5A00
分子名称POLY [ADP-RIBOSE] POLYMERASE 2, 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (3 entities in total)
機能のキーワードtransferase
由来する生物種HOMO SAPIENS (HUMAN)
ポリマー鎖数2
分子量合計82701.17
構造登録者
主引用文献
Papeo, G.M.E.,Posteri, H.,Borghi, D.,Busel, A.A.,Caprera, F.,Casale, E.,Ciomei, M.,Cirla, A.,Corti, E.,D'Anello, M.,Fasolini, M.,Forte, B.,Galvani, A.,Isacchi, A.,Khvat, A.,Krasavin, M.Y.,Lupi, R.,Orsini, P.,Perego, R.,Pesenti, E.,Pezzetta, D.,Rainoldi, S.,Riccardi-Sirtori, F.,Scolaro, A.,Sola, F.,Zuccotto, F.,Felder, E.R.,Donati, D.,Montagnoli, A.
Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58:6875-, 2015
PubMed: 26222319 (主引用文献が同じPDBエントリー)
DOI: 10.1021/ACS.JMEDCHEM.5B00680
MImport into Mendeley
実験手法
X-RAY DIFFRACTION (1.65 Å)
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構造検証レポート

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.24440 2.8% 2.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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