4ZZZ
Structure of human PARP1 catalytic domain bound to an isoindolinone inhibitor
Summary for 4ZZZ
Entry DOI | 10.2210/pdb4zzz/pdb |
Related | 4ZZX 4ZZY 5A00 |
Descriptor | POLY [ADP-RIBOSE] POLYMERASE 1, SULFATE ION, GLYCEROL, ... (5 entities in total) |
Functional Keywords | transferase, human parp1, artd1 |
Biological source | HOMO SAPIENS (HUMAN) |
Total number of polymer chains | 2 |
Total formula weight | 81997.56 |
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: 2024-05-08) |
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 Cited by PubMed: 26222319DOI: 10.1021/ACS.JMEDCHEM.5B00680 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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