6szq

Crystal structure of human DDAH-1

spinqualitylabelsall models 6szq, resolution 2.41Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6szq is a 6 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 2.412Å Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function DDAH1_HUMAN Hydrolyzes N(G),N(G)-dimethyl-L-arginine (ADMA) and N(G)-monomethyl-L-arginine (MMA) which act as inhibitors of NOS. Has therefore a role in the regulation of nitric oxide generation. Publication Abstract from PubMed N-(4-aminobutyl)-N'-(2-methoxyethyl)guanidine (8a) is as a potent inhibitor targeting the hDDAH-1 active site (Ki = 18 microM) and derived from a series of guanidine- and amidine-based inhibitors. Its non-amino acid nature leads to high selectivities towards other enzymes of the nitric oxide-modulating system. Crystallographic data of 8a-bound hDDAH-1 illuminated a unique binding mode. Together with its developed N-hydroxyguanidine prodrug 11, 8a will serve as a most widely applicable, currently available pharmacological tool to target DDAH-1-associated diseases. Discovery of N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine as the First Selective, Non-Amino Acid, Catalytic Site Inhibitor of human dimethylarginine dimethylaminohydrolase-1 (hDDAH-1).,Lunk I, Litty FA, Hennig S, Vetter IR, Kotthaus J, Altmann KS, Ott G, Havemeyer A, Carrillo Garcia C, Clement B, Schade D J Med Chem. 2019 Dec 16. doi: 10.1021/acs.jmedchem.9b01230. PMID:31841335 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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