6SZP
High resolution crystal structure of human DDAH-1 in complex with N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine
Summary for 6SZP
| Entry DOI | 10.2210/pdb6szp/pdb |
| Descriptor | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, (1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine, GLYCEROL, ... (4 entities in total) |
| Functional Keywords | dimethylarginine dimethylaminohydrolase, guanidine inhibitor, induced fit, prodrug, hydrolase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 32942.78 |
| Authors | Hennig, S.,Vetter, I.R.,Schade, D. (deposition date: 2019-10-02, release date: 2019-12-25, Last modification date: 2024-05-15) |
| Primary citation | Lunk, I.,Litty, F.A.,Hennig, S.,Vetter, I.R.,Kotthaus, J.,Altmann, K.S.,Ott, G.,Havemeyer, A.,Carillo Garcia, C.,Clement, B.,Schade, D. Discovery ofN-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1). J.Med.Chem., 63:425-432, 2020 Cited by PubMed Abstract: -(4-Aminobutyl)-'-(2-methoxyethyl)guanidine () is a potent inhibitor targeting the DDAH-1 active site ( = 18 μM) and derived from a series of guanidine- and amidine-based inhibitors. Its nonamino acid nature leads to high selectivities toward other enzymes of the nitric oxide-modulating system. Crystallographic data of -bound DDAH-1 illuminated a unique binding mode. Together with its developed -hydroxyguanidine prodrug , will serve as a most widely applicable, pharmacological tool to target DDAH-1-associated diseases. PubMed: 31841335DOI: 10.1021/acs.jmedchem.9b01230 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.76 Å) |
Structure validation
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