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Structure paper

TitleNew Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 1645-1652, Year 2020
Publish dateApr 17, 2020 (structure data deposition date)
AuthorsTanaka, Y. / Kurasawa, O. / Yokota, A. / Klein, M.G. / Saito, B. / Matsumoto, S. / Okaniwa, M. / Ambrus-Aikelin, G. / Uchiyama, N. / Morishita, D. ...Tanaka, Y. / Kurasawa, O. / Yokota, A. / Klein, M.G. / Saito, B. / Matsumoto, S. / Okaniwa, M. / Ambrus-Aikelin, G. / Uchiyama, N. / Morishita, D. / Kimura, H. / Imamura, S.
External linksAcs Med. Chem. Lett. / PubMed:34345355
MethodsX-ray diffraction
Resolution2.12 - 2.23 Å
Structure data

PDB-6wkz:
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-6wl6:
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(2R)-1-AMINO-4-METHYLPENTAN-2-YL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
Method: X-RAY DIFFRACTION / Resolution: 2.12 Å

Chemicals

ChemComp-8Y1:
6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one

ChemComp-HOH:
WATER

ChemComp-91A:
6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / Deoxyhypusine / Inhibitor / Transferase / TRANSFERASE-INHIBITOR complex

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