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TitleOptimization and Mechanistic Investigations of Novel Allosteric Activators of PKG1 alpha.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 10318-10340, Year 2022
Publish dateNov 10, 2021 (structure data deposition date)
AuthorsMak, V.W. / Patel, A.M. / Yen, R. / Hanisak, J. / Lim, Y.H. / Bao, J. / Zheng, R. / Seganish, W.M. / Yu, Y. / Healy, D.R. ...Mak, V.W. / Patel, A.M. / Yen, R. / Hanisak, J. / Lim, Y.H. / Bao, J. / Zheng, R. / Seganish, W.M. / Yu, Y. / Healy, D.R. / Ogawa, A. / Ren, Z. / Soriano, A. / Ermakov, G.P. / Beaumont, M. / Metwally, E. / Cheng, A.C. / Verras, A. / Fischmann, T. / Zebisch, M. / Silvestre, H.L. / McEwan, P.A. / Barker, J. / Rearden, P. / Greshock, T.J.
External linksJ. Med. Chem. / PubMed:35878399
MethodsX-ray diffraction
Resolution1.4 Å
Structure data

PDB-7ssb:
Co-structure of PKG1 regulatory domain with compound 33
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-B4I:
4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / binding sites / cyclic AMP / cyclic GMP / cyclic GMP-dependent / protein kinase type II / signaling protein / TRANSFERASE-TRANSFERASE INHIBITOR complex

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