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TitleDiscovery ofN-(4-Aminobutyl)-N'-(2-methoxyethyl)guanidine as the First Selective, Nonamino Acid, Catalytic Site Inhibitor of Human Dimethylarginine Dimethylaminohydrolase-1 (hDDAH-1).
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 425-432, Year 2020
Publish dateOct 2, 2019 (structure data deposition date)
AuthorsLunk, 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.
External linksJ. Med. Chem. / PubMed:31841335
MethodsX-ray diffraction
Resolution1.76 - 2.412 Å
Structure data

PDB-6szp:
High resolution crystal structure of human DDAH-1 in complex with N-(4-Aminobutyl)-N'-(2-Methoxyethyl)guanidine
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-6szq:
Crystal structure of human DDAH-1
Method: X-RAY DIFFRACTION / Resolution: 2.412 Å

Chemicals

ChemComp-M3B:
(1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / dimethylarginine dimethylaminohydrolase / guanidine inhibitor / induced fit / prodrug

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