3ro4 | pdb_00003ro4

X-ray Structure of Ketohexokinase in complex with an indazole compound derivative

spinqualitylabelsall models 3ro4, resolution 2.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3ro4 is a 2 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: LJ9, SO4 Related: 3nbv, 3nbw, 3nc2, 3nc9, 3nca Gene: KHK (Homo sapiens) Activity: Ketohexokinase, with EC number 2.7.1.3 Resources: FirstGlance, OCA, RCSB, PDBsum Disease [KHK_HUMAN] Defects in KHK are the cause of fructosuria (FRUCT) [MIM:229800]. Benign defect of intermediary metabolism. Function Publication Abstract from PubMed A series of indazoles have been discovered as KHK inhibitors from a pyrazole hit identified through fragment-based drug discovery (FBDD). The optimization process guided by both X-ray crystallography and solution activity resulted in lead-like compounds with good pharmaceutical properties. Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.,Zhang X, Song F, Kuo GH, Xiang A, Gibbs AC, Abad MC, Sun W, Kuo LC, Sui Z Bioorg Med Chem Lett. 2011 Aug 15;21(16):4762-7. Epub 2011 Jun 29. PMID:21767952 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Ketohexokinase

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