4GH6

Crystal structure of the PDE9A catalytic domain in complex with inhibitor 28

Summary for 4GH6

• Entry DOI: 10.2210/pdb4gh6/pdb
• Descriptor: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide, ZINC ION, ... (5 entities in total)
• Functional Keywords: pde9a, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Isoform PDE9A1: Cell projection, ruffle membrane. Isoform PDE9A2: Cell projection, ruffle membrane. Isoform PDE9A3: Cytoplasm. Isoform PDE9A17: Cytoplasm: O76083
• Total number of polymer chains: 2
• Total formula weight: 78527.91

Authors

Hou, J.,Ke, H. (deposition date: 2012-08-07, release date: 2012-10-03, Last modification date: 2024-02-28)

• Primary citation: Meng, F.,Hou, J.,Shao, Y.X.,Wu, P.Y.,Huang, M.,Zhu, X.,Cai, Y.,Li, Z.,Xu, J.,Liu, P.,Luo, H.B.,Wan, Y.,Ke, H.; Structure-Based Discovery of Highly Selective Phosphodiesterase-9A Inhibitors and Implications for Inhibitor Design.; J.Med.Chem., 55:8549-8558, 2012; PubMed: 22985069; DOI: 10.1021/jm301189c

Experimental method

X-RAY DIFFRACTION (2.7 Å)