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TitleX-ray crystal structure and binding mode analysis of human S-adenosylhomocysteine hydrolase complexed with novel mechanism-based inhibitors, haloneplanocin A analogues.
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 930-938, Year 2011
Publish dateJun 17, 2010 (structure data deposition date)
AuthorsLee, K.M. / Choi, W.J. / Lee, Y. / Lee, H.J. / Zhao, L.X. / Lee, H.W. / Park, J.G. / Kim, H.O. / Hwang, K.Y. / Heo, Y.S. ...Lee, K.M. / Choi, W.J. / Lee, Y. / Lee, H.J. / Zhao, L.X. / Lee, H.W. / Park, J.G. / Kim, H.O. / Hwang, K.Y. / Heo, Y.S. / Choi, S. / Jeong, L.S.
External linksJ. Med. Chem. / PubMed:21226494
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-3nj4:
Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-AFX:
(4S,5S)-4-(6-amino-9H-purin-9-yl)-3-fluoro-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / S-adenosylhomocystein / NAD

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