6INK

Crystal structure of PDE4D complexed with a novel inhibitor

Summary for 6INK

DescriptorcAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ... (6 entities in total)
Functional Keywordspde4d, inhibitor, complex, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total molecular weight81349.29
Authors
Zhang, X.L.,Su, H.X.,Xu, Y.C. (deposition date: 2018-10-25, release date: 2019-10-23)
Primary citation
Zhang, 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
PubMed: 31099559 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b00518
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.7 Å)
?

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21230 0.4% 4.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report