PDB Information

PDB4ZZZ
MethodX-RAY DIFFRACTION
Host OrganismESCHERICHIA COLI
Gene SourceHOMO SAPIENS
Primary Citation
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.
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.
J.Med.Chem.
HeaderTransferase
Released2015-04-15
Resolution1.900
CATH Insert Date30 Aug, 2015

PDB Images (7)

PDB Prints

PDB Chains (2)

Chain ID Date inserted into CATH CATH Status
A 31 Aug, 2015 Chopped
B 31 Aug, 2015 Chopped

CATH Domains (4)

Domain ID Date inserted into CATH Superfamily CATH Status
4zzzA01 03 Sep, 2015 1.20.142.10 Assigned
4zzzA02 03 Sep, 2015 3.90.228.10 Assigned
4zzzB01 03 Sep, 2015 1.20.142.10 Assigned
4zzzB02 03 Sep, 2015 3.90.228.10 Assigned

UniProtKB Entries (2)

Accession Gene ID Taxon Description
P09874 PARP1_HUMAN Homo sapiens Poly [ADP-ribose] polymerase 1
P09874 PARP1_HUMAN Homo sapiens Poly [ADP-ribose] polymerase 1