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TitleCyclic adenosine 5'-diphosphate ribose analogs without a "southern" ribose inhibit ADP-ribosyl cyclase-hydrolase CD38.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 8517-8529, Year 2014
Publish dateJun 1, 2014 (structure data deposition date)
AuthorsSwarbrick, J.M. / Graeff, R. / Zhang, H. / Thomas, M.P. / Hao, Q. / Potter, B.V.
External linksJ. Med. Chem. / PubMed:25226087
MethodsX-ray diffraction
Resolution2.05 Å
Structure data

PDB-4tmf:
Crystal structure of human CD38 in complex with hydrolysed compound JMS713
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

ChemComp-JS2:
5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase Inhibitor / CD38 / ADP-ribosyl cyclase / cyclic ADP-ribose / X-crystallography / Calcium signaling / inhibitory compound / JMS713 / Hydrolase-Hydrolase Inhibitor complex

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