Author results

5YGX
  • Download 5ygx
  • View 5ygx
Molmil generated image of 5ygx
STRUCTURE OF BACE1 IN COMPLEX WITH N-(3-((4R,5R,6S)-2-AMINO-6-(1,1-DIFLUOROETHYL)-5-FLUORO-4-METHYL-5,6-DIHYDRO-4H-1,3-OXAZIN-4-YL)-4-FLUOROPHENYL)-5-(FLUOROMETHOXY)PYRAZINE-2-CARBOXAMIDE
分子名称:Beta-secretase 1, IODIDE ION, GLYCEROL, ...
著者Nakahara, K., Fuchino, K., Komano, K., Asada, N., Tadano, G., Hasegawa, T., Yamamoto, T., Sako, Y., Ogawa, M., Unemura, C., Hosono, M., Sakaguchi, G., Ando, S., Ohnishi, S., Kido, Y., Fukushima, T., Dhuyvetter, D., Borghys, H., Gijsen, H., Yamano, Y., Iso, Y., Kusakabe, K.
登録日2017-09-27
公開日2018-08-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Potent and Centrally Active 6-Substituted 5-Fluoro-1,3-dihydro-oxazine beta-Secretase (BACE1) Inhibitors via Active Conformation Stabilization
J. Med. Chem., 61, 2018
5YGY
  • Download 5ygy
  • View 5ygy
Molmil generated image of 5ygy
CRYSTAL STRUCTURE OF BACE1 IN COMPLEX WITH (S)-N-(3-(2-AMINO-6-(FLUOROMETHYL)-4 -METHYL-4H-1,3-OXAZIN-4-YL)-4-FLUOROPHENYL)-5-CYANOPICOLINAMIDE
分子名称:Beta-secretase 1, IODIDE ION, GLYCEROL, ...
著者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., Yamano, Y., Iso, Y., Kusakabe, K.
登録日2017-09-27
公開日2018-05-23
最終更新日2018-07-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
J. Med. Chem., 61, 2018
6JT3
  • Download 6jt3
  • View 6jt3
Molmil generated image of 6jt3
CRYSTAL STRUCTURE OF BACE1 IN COMPLEX WITH N-{3-[(4R,5R,6R)-2-AMINO-5-FLUORO-4,6-DIMETHYL-5,6-DIHYDRO-4H-1,3-THIAZIN-4-YL]-4-FLUOROPHENYL}-5-(FLUOROMETHOXY)PYRAZINE-2-CARBOXAMIDE
分子名称:Beta-secretase 1, IODIDE ION, GLYCEROL, ...
著者Tadano, G., Komano, K., Yoshida, S., Suzuki, S., Nakahara, K., Fuchino, K., Fujimoto, K., Matsuoka, E., Yamamoto, T., Asada, N., Ito, H., Sakaguchi, G., Kanegawa, N., Kido, Y., Ando, S., Fukushima, T., Teisman, A., Urmaliya, V., Dhuyvetter, D., Borghys, H., Bergh, A.V.D., Austin, N., Gijsen, H.J.M., Yamano, Y., Iso, Y., Kusakabe, K.I.
登録日2019-04-08
公開日2019-10-30
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of an Extremely Potent Thiazine-Based beta-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose.
J.Med.Chem., 62, 2019
2A25
  • Download 2a25
  • View 2a25
Molmil generated image of 2a25
CRYSTAL STRUCTURE OF SIAH1 SBD BOUND TO THE PEPTIDE EKPAAVVAPITTG FROM SIP
分子名称:Ubiquitin ligase SIAH1, Calcyclin-binding protein peptide, ZINC ION
著者Santelli, E., Leone, M., Li, C., Fukushima, T., Preece, N.E., Olson, A.J., Ely, K.R., Reed, J.C., Pellecchia, M., Liddington, R.C., Matsuzawa, S.
登録日2005-06-21
公開日2005-08-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Analysis of Siah1-Siah-interacting Protein Interactions and Insights into the Assembly of an E3 Ligase Multiprotein Complex
J.Biol.Chem., 280, 2005
2A26
  • Download 2a26
  • View 2a26
Molmil generated image of 2a26
CRYSTAL STRUCTURE OF THE N-TERMINAL, DIMERIZATION DOMAIN OF SIAH INTERACTING PROTEIN
分子名称:Calcyclin-binding protein, SULFATE ION, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID
著者Santelli, E., Leone, M., Li, C., Fukushima, T., Preece, N.E., Olson, A.J., Ely, K.R., Reed, J.C., Pellecchia, M., Liddington, R.C., Matsuzawa, S.
登録日2005-06-21
公開日2005-08-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Analysis of Siah1-Siah-interacting Protein Interactions and Insights into the Assembly of an E3 Ligase Multiprotein Complex
J.Biol.Chem., 280, 2005
3WXC
  • Download 3wxc
  • View 3wxc
Molmil generated image of 3wxc
CRYSTAL STRUCTURE OF IMP-1 METALLO-BETA-LACTAMASE COMPLEXED WITH A 3-AMINOPHTALIC ACID INHIBITOR
分子名称:Beta-lactamase, ZINC ION, 3-(4-hydroxypiperidin-1-yl)benzene-1,2-dicarboxylic acid
著者Saito, J., Watanabe, T., Yamada, M.
登録日2014-07-29
公開日2014-10-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray crystallographic analysis of IMP-1 metallo-beta-lactamase complexed with a 3-aminophthalic acid derivative, structure-based drug design, and synthesis of 3,6-disubstituted phthalic acid derivative inhibitors
Bioorg.Med.Chem.Lett., 24, 2014