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TitleDiscovery and Mechanistic Characterization of Selective Inhibitors of H2S-producing Enzyme: 3-Mercaptopyruvate Sulfurtransferase (3MST) Targeting Active-site Cysteine Persulfide
Journal, issue, pagesSci Rep, Vol. 7, Page 40227-40227, Year 2017
Publish dateNov 27, 2016 (structure data deposition date)
AuthorsHanaoka, K. / Sasakura, K. / Suwanai, Y. / Toma-Fukai, S. / Shimamoto, K. / Takano, Y. / Shibuya, N. / Terai, T. / Komatsu, T. / Ueno, T. ...Hanaoka, K. / Sasakura, K. / Suwanai, Y. / Toma-Fukai, S. / Shimamoto, K. / Takano, Y. / Shibuya, N. / Terai, T. / Komatsu, T. / Ueno, T. / Ogasawara, Y. / Tsuchiya, Y. / Watanabe, Y. / Kimura, H. / Wang, C. / Uchiyama, M. / Kojima, H. / Okabe, T. / Urano, Y. / Shimizu, T. / Nagano, T.
External linksSci Rep / PubMed:28079151
MethodsX-ray diffraction
Resolution1.2 - 1.7 Å
Structure data

PDB-5wqj:
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-5wqk:
Crystal structure of 3-Mercaptopyruvate Sulfurtransferase(3MST) in complex with compound1
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-7N3:
2-[2-[(4-oxidanylidene-3~{H}-quinazolin-2-yl)sulfanyl]ethanoylamino]thiophene-3-carboxamide

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-7NC:
4-methyl-2-(2-naphthalen-1-yl-2-oxidanylidene-ethyl)sulfanyl-1~{H}-pyrimidin-6-one

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE/INHIBITOR / TRANSFERASE-INHIBITOR complex

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