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TitleDiscovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 3215-3226, Year 2020
Publish dateMay 28, 2019 (structure data deposition date)
AuthorsTanaka, Y. / Kurasawa, O. / Yokota, A. / Klein, M.G. / Ono, K. / Saito, B. / Matsumoto, S. / Okaniwa, M. / Ambrus-Aikelin, G. / Morishita, D. ...Tanaka, Y. / Kurasawa, O. / Yokota, A. / Klein, M.G. / Ono, K. / Saito, B. / Matsumoto, S. / Okaniwa, M. / Ambrus-Aikelin, G. / Morishita, D. / Kitazawa, S. / Uchiyama, N. / Ogawa, K. / Kimura, H. / Imamura, S.
External linksJ. Med. Chem. / PubMed:32142284
MethodsX-ray diffraction
Resolution1.65 - 1.95 Å
Structure data

PDB-6p4v:
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-6pgr:
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

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

ChemComp-GC7:
1-GUANIDINIUM-7-AMINOHEPTANE

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-8XY:
6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / Deoxyhypusine / NAD cofactor / hypusine / spermidine / GC7 / transferase / TRANSFERASE-INHIBITOR complex / Inhibitor

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