| タイトル | Reverse Hydroxamate Inhibitors of Bone Morphogenetic Protein 1. |
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| ジャーナル・号・ページ | ACS Med Chem Lett, Vol. 9, Page 736-740, Year 2018 |
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| 掲載日 | 2017年12月4日 (構造データの登録日) |
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著者 | Kallander, L.S. / Washburn, D. / Hilfiker, M.A. / Eidam, H.S. / Lawhorn, B.G. / Prendergast, J. / Fox, R. / Dowdell, S. / Manns, S. / Hoang, T. ...Kallander, L.S. / Washburn, D. / Hilfiker, M.A. / Eidam, H.S. / Lawhorn, B.G. / Prendergast, J. / Fox, R. / Dowdell, S. / Manns, S. / Hoang, T. / Zhao, S. / Ye, G. / Hammond, M. / Holt, D.A. / Roethke, T. / Hong, X. / Reid, R.A. / Gampe, R. / Zhang, H. / Diaz, E. / Rendina, A.R. / Quinn, A.M. / Willette, B. |
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リンク | ACS Med Chem Lett / PubMed:30034610 |
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| 手法 | X線回折 |
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| 解像度 | 1.45 - 2.33 Å |
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| 構造データ | PDB-6bsl: BMP1 complexed with a reverse hydroxymate - compound 22 手法: X-RAY DIFFRACTION / 解像度: 1.45 Å PDB-6bsm: BMP1 complexed with a reverse hydroxamate - compound 4 手法: X-RAY DIFFRACTION / 解像度: 2.33 Å PDB-6btn: BMP1 complexed with a reverse hydroxymate - compound 1 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-6bto: BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-6btp: BMP1 complexed with a hydroxamate 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å PDB-6btq: BMP1 complexed with a hydroxamate - compound 2 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å |
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| 化合物 | ChemComp-EVV: N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid
ChemComp-E7D: N-({[(2R)-2-{[hydroxy(hydroxymethyl)amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide
ChemComp-E8M: (3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide
ChemComp-E8P: (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid
ChemComp-E8J: (1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-N-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
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| 由来 | homo sapiens (ヒト)
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キーワード | HYDROLASE / endopeptidase / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex |
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