7XAA

Crystal structure of PDE4D catalytic domain complexed with compound 21d

Summary for 7XAA

• Entry DOI: 10.2210/pdb7xaa/pdb
• Descriptor: Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: pde4 inhibitor, hydrolase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 116897.54

Authors

Huang, Y.-Y.,He, X.,Luo, H.-B. (deposition date: 2022-03-17, release date: 2023-02-22, Last modification date: 2023-11-29)

• Primary citation: Liu, H.,Wang, Q.,Huang, Y.,Deng, J.,Xie, X.,Zhu, J.,Yuan, Y.,He, Y.M.,Huang, Y.Y.,Luo, H.B.,He, X.; Discovery of novel PDE4 inhibitors targeting the M-pocket from natural mangostanin with improved safety for the treatment of Inflammatory Bowel Diseases.; Eur.J.Med.Chem., 242:114631-114631, 2022; PubMed: 35985255; DOI: 10.1016/j.ejmech.2022.114631

Experimental method

X-RAY DIFFRACTION (2.10041402486 Å)