3SIE
Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors
Summary for 3SIE
Entry DOI | 10.2210/pdb3sie/pdb |
Related | 3SHY 3SHZ |
Descriptor | cGMP-specific 3',5'-cyclic phosphodiesterase, 5-bromo-6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one (3 entities in total) |
Functional Keywords | pde5a inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens |
Total number of polymer chains | 2 |
Total formula weight | 81181.02 |
Authors | Chen, T.T.,Chen, T.,Xu, Y.C. (deposition date: 2011-06-17, release date: 2011-08-24, Last modification date: 2024-03-20) |
Primary citation | Xu, Z.,Liu, Z.,Chen, T.,Chen, T.T.,Wang, Z.,Tian, G.,Shi, J.,Wang, X.,Lu, Y.,Yan, X.,Wang, G.,Jiang, H.,Chen, K.,Wang, S.,Xu, Y.,Shen, J.,Zhu, W. Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors. J.Med.Chem., 54:5607-5611, 2011 Cited by PubMed: 21714539DOI: 10.1021/jm200644r PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.93 Å) |
Structure validation
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