4G2L

Human PDE9 in complex with selective compound

Summary for 4G2L

• Entry DOI: 10.2210/pdb4g2l/pdb
• Related: 3JSW
• Descriptor: High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, ZINC ION, MAGNESIUM ION, ... (4 entities in total)
• Functional Keywords: phosphodiesterase, inhibitor complex, cgmp->gmp, 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: 78636.14

Authors

Liu, S. (deposition date: 2012-07-12, release date: 2013-05-29, Last modification date: 2024-02-28)

• Primary citation: Claffey, M.M.,Helal, C.J.,Verhoest, P.R.,Kang, Z.,Fors, K.S.,Jung, S.,Zhong, J.,Bundesmann, M.W.,Hou, X.,Lui, S.,Kleiman, R.J.,Vanase-Frawley, M.,Schmidt, A.W.,Menniti, F.,Schmidt, C.J.,Hoffman, W.E.,Hajos, M.,McDowell, L.,O'Connor, R.E.,Macdougall-Murphy, M.,Fonseca, K.R.,Becker, S.L.,Nelson, F.R.,Liras, S.; Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors.; J.Med.Chem., 55:9055-9068, 2012; PubMed: 23025719; DOI: 10.1021/jm3009635

Experimental method

X-RAY DIFFRACTION (3 Å)