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TitleOptimization of Potent and Selective Ataxia Telangiectasia-Mutated Inhibitors Suitable for a Proof-of-Concept Study in Huntington's Disease Models.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 2988-3008, Year 2019
Publish dateNov 7, 2018 (structure data deposition date)
AuthorsToledo-Sherman, L. / Breccia, P. / Cachope, R. / Bate, J.R. / Angulo-Herrera, I. / Wishart, G. / Matthews, K.L. / Martin, S.L. / Cox, H.C. / McAllister, G. ...Toledo-Sherman, L. / Breccia, P. / Cachope, R. / Bate, J.R. / Angulo-Herrera, I. / Wishart, G. / Matthews, K.L. / Martin, S.L. / Cox, H.C. / McAllister, G. / Penrose, S.D. / Vater, H. / Esmieu, W. / Van de Poel, A. / Van de Bospoort, R. / Strijbosch, A. / Lamers, M. / Leonard, P. / Jarvis, R.E. / Blackaby, W. / Barnes, K. / Eznarriaga, M. / Dowler, S. / Smith, G.D. / Fischer, D.F. / Lazari, O. / Yates, D. / Rose, M. / Jang, S.W. / Munoz-Sanjuan, I. / Dominguez, C.
External linksJ. Med. Chem. / PubMed:30840447
MethodsX-ray diffraction
Resolution2.09 Å
Structure data

PDB-6i3u:
Optimization of potent and selective ATM inhibitors suitable for a proof-of-concept study in Huntington's disease models
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

Chemicals

ChemComp-H2E:
2-morpholin-4-yl-6-[7-[(2~{R})-1-morpholin-4-ylpropan-2-yl]oxy-9~{H}-thioxanthen-4-yl]pyran-4-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / ATM surrogate / VPS34 / Kinase / Huntington's disease

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