5x74

The crystal Structure PDE delta in complex with compound (R, R)-1g

spinqualitylabelsall models 5x74, resolution 2.25Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5x74 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.25Å Ligands: JAY Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function PDE6D_HUMAN Acts as a GTP specific dissociation inhibitor (GDI). Increases the affinity of ARL3 for GTP by several orders of magnitude and does so by decreasing the nucleotide dissociation rate. Stabilizes Arl3-GTP by decreasing the nucleotide dissociation (By similarity). Publication Abstract from PubMed Structural biology is a powerful tool for investigating the stereospecific interactions between a protein and its ligand. Herein, an unprecedented chiral binding pattern was observed for inhibitors of KRAS-PDEdelta interactions. Virtual screening and X-ray crystallography studies revealed that two enantiomers of a racemic inhibitor could bind at different sites. Fragment-based drug design was used to identify highly potent PDEdelta inhibitors that can be used as promising lead compounds for target validation and antitumor drug development. Structural Biology-Inspired Discovery of Novel KRAS-PDEdelta Inhibitors.,Jiang Y, Zhuang C, Chen L, Lu J, Dong G, Miao Z, Zhang W, Li J, Sheng C J Med Chem. 2017 Oct 3. doi: 10.1021/acs.jmedchem.7b01243. PMID:28929751 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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