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Title | Rational Design of Novel 1,3-Oxazine Based beta-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust A beta Reduction in the Brain |
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Journal, issue, pages | J. Med. Chem., Vol. 61, Page 5122-5137, Year 2018 |
Publish date | Sep 27, 2017 (structure data deposition date) |
![]() | Fuchino, K. / Mitsuoka, Y. / Masui, M. / Kurose, N. / Yoshida, S. / Komano, K. / Yamamoto, T. / Ogawa, M. / Unemura, C. / Hosono, M. ...Fuchino, K. / Mitsuoka, Y. / Masui, M. / Kurose, N. / Yoshida, S. / Komano, K. / Yamamoto, T. / Ogawa, M. / Unemura, C. / Hosono, M. / Ito, H. / Sakaguchi, G. / Ando, S. / Ohnishi, S. / Kido, Y. / Fukushima, T. / Miyajima, H. / Hiroyama, S. / Koyabu, K. / Dhuyvetter, D. / Borghys, H. / Gijsen, H.J.M. / Yamano, Y. / Iso, Y. / Kusakabe, K.I. |
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Methods | X-ray diffraction |
Resolution | 2.3 Å |
Structure data | ![]() PDB-5ygy: |
Chemicals | ![]() ChemComp-IOD: ![]() ChemComp-GOL: ![]() ChemComp-0B6: ![]() ChemComp-HOH: |
Source |
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![]() | HYDROLASE/INHIBITOR / beta-site amyloid precursor protein cleaving enzyme 1 / HYDROLASE-INHIBITOR complex |