3O0J
PDE4B In complex with ligand an2898
Summary for 3O0J
| Entry DOI | 10.2210/pdb3o0j/pdb |
| Descriptor | cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, MAGNESIUM ION, ... (6 entities in total) |
| Functional Keywords | phosphodiesterase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Homo sapiens |
| Total number of polymer chains | 1 |
| Total formula weight | 38548.01 |
| Authors | Alley, M.R.K.,Zhou, Y. (deposition date: 2010-07-19, release date: 2011-08-10, Last modification date: 2024-02-21) |
| Primary citation | Freund, Y.R.,Akama, T.,Alley, M.R.,Antunes, J.,Dong, C.,Jarnagin, K.,Kimura, R.,Nieman, J.A.,Maples, K.R.,Plattner, J.J.,Rock, F.,Sharma, R.,Singh, R.,Sanders, V.,Zhou, Y. Boron-based phosphodiesterase inhibitors show novel binding of boron to PDE4 bimetal center. Febs Lett., 586:3410-3414, 2012 Cited by PubMed Abstract: We have used boron-based molecules to create novel, competitive, reversible inhibitors of phosphodiesterase 4 (PDE4). The co-crystal structure reveals a binding configuration which is unique compared to classical catechol PDE4 inhibitors, with boron binding to the activated water in the bimetal center. These phenoxybenzoxaboroles can be optimized to generate submicromolar potency enzyme inhibitors, which inhibit TNF-α, IL-2, IFN-γ, IL-5 and IL-10 activities in vitro and show safety and efficacy for topical treatment of human psoriasis. They provide a valuable new route for creating novel potent anti-PDE4 inhibitors. PubMed: 22841723DOI: 10.1016/j.febslet.2012.07.058 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.95 Å) |
Structure validation
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