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Structure paper

TitleStructure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors
Journal, issue, pagesJ. Med. Chem., Vol. 47, Page 3730-3743, Year 2004
Publish dateOct 5, 2003 (structure data deposition date)
AuthorsTerasaka, T. / Kinoshita, T. / Kuno, M. / Seki, N. / Tanaka, K. / Nakanishi, I.
External linksJ. Med. Chem. / PubMed:15239652
MethodsX-ray diffraction
Resolution2.25 - 2.5 Å
Structure data

PDB-1o5r:
Crystal structure of adenosine deaminase complexed with a potent inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-1qxl:
Crystal structure of Adenosine deaminase complexed with FR235380
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-1uml:
Crystal structure of adenosine deaminase complexed with a potent inhibitor FR233624
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-FR9:
1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE

ChemComp-HOH:
WATER

ChemComp-FR8:
1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE

ChemComp-FR4:
1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE

Source
  • bos taurus (domestic cattle)
KeywordsHYDROLASE / beta barrel / zinc / zinc ion

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