4OEX

Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors

Replaces:  3TSE

Summary for 4OEX

• Entry DOI: 10.2210/pdb4oex/pdb
• Related: 4OEW
• Descriptor: cGMP-specific 3',5'-cyclic phosphodiesterase, 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, ZINC ION, ... (5 entities in total)
• Functional Keywords: hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 40601.33

Authors

Chen, T.T.,Ren, J.,Xu, Y.C. (deposition date: 2014-01-14, release date: 2015-04-01, Last modification date: 2024-02-28)

• Primary citation: Ren, J.,He, Y.,Chen, W.,Chen, T.,Wang, G.,Wang, Z.,Xu, Z.,Luo, X.,Zhu, W.,Jiang, H.,Shen, J.,Xu, Y.; Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.; J.Med.Chem., 57:3588-3593, 2014; PubMed: 24702184; DOI: 10.1021/jm5002315

Experimental method

X-RAY DIFFRACTION (2.14 Å)