3sff

Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived InhibitorCrystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor

Structural highlights 3sff 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. Ligands: , , Related: 3sfh Gene: HDAC8, HDACL1, CDA07 (Homo sapiens) Activity: Histone deacetylase, with EC number 3.5.1.98 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed Herein we report the discovery of a family of novel yet simple, amino-acid derived class I HDAC inhibitors that demonstrate isoform selectivity via access to the internal acetate release channel. Isoform selectivity criteria is discussed on the basis of X-ray crystallography and molecular modeling of these novel inhibitors bound to HDAC8, potentially revealing insights into the mechanism of enzymatic function through novel structural features revealed at the atomic level. Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.,Whitehead L, Dobler MR, Radetich B, Zhu Y, Atadja PW, Claiborne T, Grob JE, McRiner A, Pancost MR, Patnaik A, Shao W, Shultz M, Tichkule R, Tommasi RA, Vash B, Wang P, Stams T Bioorg Med Chem. 2011 Aug 1;19(15):4626-34. Epub 2011 Jun 15. PMID:21723733 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Histone deacetylase

spinqualitylabelsall models 3sff, resolution 2.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image