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6IND

Crystal structure of PDE4D complexed with a novel inhibitor

Summary for 6IND
Entry DOI10.2210/pdb6ind/pdb
DescriptorcAMP-specific 3',5'-cyclic phosphodiesterase 4D, (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... (6 entities in total)
Functional Keywordspde4d, inhibitor, complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total formula weight81463.71
Authors
Zhang, X.L.,Su, H.X.,Xu, Y.C. (deposition date: 2018-10-24, release date: 2019-10-23, Last modification date: 2024-03-27)
Primary citationZhang, X.,Dong, G.,Li, H.,Chen, W.,Li, J.,Feng, C.,Gu, Z.,Zhu, F.,Zhang, R.,Li, M.,Tang, W.,Liu, H.,Xu, Y.
Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62:5579-5593, 2019
Cited by
PubMed: 31099559
DOI: 10.1021/acs.jmedchem.9b00518
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.872 Å)
Structure validation

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