4ZZX

Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor

Summary for 4ZZX

• Entry DOI: 10.2210/pdb4zzx/pdb
• Related: 4ZZY 4ZZZ 5A00
• Descriptor: POLY [ADP-RIBOSE] POLYMERASE 2, 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (3 entities in total)
• Functional Keywords: transferase
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 2
• Total formula weight: 82701.17

Authors

Casale, E.,Fasolini, M.,Papeo, G.,Posteri, H.,Borghi, D.,Busel, A.A.,Caprera, F.,Ciomei, M.,Cirla, A.,Corti, E.,DAnello, M.,Fasolini, M.,Felder, E.R.,Forte, B.,Galvani, A.,Isacchi, A.,Khvat, A.,Krasavin, M.Y.,Lupi, R.,Orsini, P.,Perego, R.,Pesenti, E.,Pezzetta, D.,Rainoldi, S.,RiccardiSirtori, F.,Scolaro, A.,Sola, F.,Zuccotto, F.,Donati, D.,Montagnoli, A. (deposition date: 2015-04-15, release date: 2015-08-12, Last modification date: 2024-01-10)

• Primary citation: 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; DOI: 10.1021/ACS.JMEDCHEM.5B00680

Experimental method

X-RAY DIFFRACTION (1.65 Å)