7CMW

Complex structure of PARP1 catalytic domain with pamiparib

Summary for 7CMW

• Entry DOI: 10.2210/pdb7cmw/pdb
• Descriptor: Poly [ADP-ribose] polymerase 1, (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, ... (4 entities in total)
• Functional Keywords: parp1, pamiparib, bgb-290, transferase, antitumor protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 80037.47

Authors

Feng, Y.C.,Peng, H.,Hong, Y.,Liu, Y. (deposition date: 2020-07-29, release date: 2020-12-16, Last modification date: 2023-11-29)

• Primary citation: Wang, H.,Ren, B.,Liu, Y.,Jiang, B.,Guo, Y.,Wei, M.,Luo, L.,Kuang, X.,Qiu, M.,Lv, L.,Xu, H.,Qi, R.,Yan, H.,Xu, D.,Wang, Z.,Huo, C.X.,Zhu, Y.,Zhao, Y.,Wu, Y.,Qin, Z.,Su, D.,Tang, T.,Wang, F.,Sun, X.,Feng, Y.,Peng, H.,Wang, X.,Gao, Y.,Liu, Y.,Gong, W.,Yu, F.,Liu, X.,Wang, L.,Zhou, C.; Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.; J.Med.Chem., 63:15541-15563, 2020; PubMed: 33264017; DOI: 10.1021/acs.jmedchem.0c01346

Experimental method

X-RAY DIFFRACTION (2.7 Å)