4D09

PDE2a catalytic domain in complex with a brain penetrant inhibitor

Summary for 4D09

Entry DOI	10.2210/pdb4d09/pdb
Related	4D08
Descriptor	CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, N-benzyl-4-methyl-1-phenyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, ZINC ION, ... (5 entities in total)
Functional Keywords	hydrolase, cyclic nucleotide phosphodiesterases, type 2, type 4, disease models, animal, drug evaluation, preclinical, phosphodiesterase 2 inhibitors, phosphodiesterase inhibitors, protein binding, structure-activity relationship
Biological source	HOMO SAPIENS (HUMAN)
Cellular location	Isoform PDE2A3: Cell membrane ; Lipid-anchor . Isoform PDE2A2: Mitochondrion matrix . Isoform PDE2A1: Cytoplasm . Isoform 5: Mitochondrion : O00408
Total number of polymer chains	4
Total formula weight	167662.12
Authors	Buijnsters, P.,Andres, J.I.,DeAngelis, M.,Langlois, X.,Rombouts, F.,Sanderson, W.,Tresadern, G.,Trabanco, A.,VanHoof, G.,VanRoosbroeck, Y. (deposition date: 2014-04-24, release date: 2014-08-06, Last modification date: 2024-05-01)
Primary citation	Buijnsters, P.,De Angelis, M.,Langlois, X.,Rombouts, F.J.R.,Sanderson, W.,Tresadern, G.,Ritchie, A.,Trabanco, A.A.,Vanhoof, G.,Roosbroeck, Y.V.,Andres, J. Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement. Acs Med.Chem.Lett., 5:1049-, 2014 Cited by PubMed: 25221665 DOI: 10.1021/ML500262U PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation