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TitleCrystal structures of human adenosine kinase inhibitor complexes reveal two distinct binding modes.
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 6726-6731, Year 2006
Publish dateAug 28, 2006 (structure data deposition date)
AuthorsMuchmore, S.W. / Smith, R.A. / Stewart, A.O. / Cowart, M.D. / Gomtsyan, A. / Matulenko, M.A. / Yu, H. / Severin, J.M. / Bhagwat, S.S. / Lee, C.H. ...Muchmore, S.W. / Smith, R.A. / Stewart, A.O. / Cowart, M.D. / Gomtsyan, A. / Matulenko, M.A. / Yu, H. / Severin, J.M. / Bhagwat, S.S. / Lee, C.H. / Kowaluk, E.A. / Jarvis, M.F. / Jakob, C.L.
External linksJ. Med. Chem. / PubMed:17154503
MethodsX-ray diffraction
Resolution2.2 - 2.3 Å
Structure data

PDB-2i6a:
Human Adenosine Kinase in Complex With 5'-Deoxy-5-Iodotubercidin
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-2i6b:
Human Adenosine Kinase in Complex with An Acetylinic Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-5I5:
7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE

ChemComp-HOH:
WATER

ChemComp-89I:
5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-4-AMINE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / protein-ligand complex / 5'-deoxy-5-iodotubercidin

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