タイトル | Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 65, Page 13753-13770, Year 2022 |
---|
掲載日 | 2021年11月29日 (構造データの登録日) |
---|
著者 | Wang, Y. / Xu, F. / Nichols, C.B. / Shi, Y. / Hellinga, H.W. / Alspaugh, J.A. / Distefano, M.D. / Beese, L.S. |
---|
リンク | J. Med. Chem. / PubMed:36218371 |
---|
手法 | X線回折 |
---|
解像度 | 1.803 - 2.844 Å |
---|
構造データ | PDB-7t08: Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2q 手法: X-RAY DIFFRACTION / 解像度: 1.803 Å PDB-7t09: Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2d 手法: X-RAY DIFFRACTION / 解像度: 1.984 Å PDB-7t0a: Cryptococcus neoformans protein farnesyltransferase co-crystallized with FPP and inhibitor 2f 手法: X-RAY DIFFRACTION / 解像度: 2.099 Å PDB-7t0b: Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2g 手法: X-RAY DIFFRACTION / 解像度: 2.026 Å PDB-7t0c: Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2e 手法: X-RAY DIFFRACTION / 解像度: 1.903 Å PDB-7t0d: Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2k 手法: X-RAY DIFFRACTION / 解像度: 1.906 Å PDB-7t0e: Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2b 手法: X-RAY DIFFRACTION / 解像度: 2.223 Å PDB-8e9e: Rat protein farnesyltransferase in complex with FPP and inhibitor 2f 手法: X-RAY DIFFRACTION / 解像度: 2.844 Å |
---|
化合物 | ChemComp-3FX: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
ChemComp-XO1: 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile
ChemComp-XMY: (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
ChemComp-XO4: (5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
ChemComp-XN4: (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
ChemComp-XO7: (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
ChemComp-XOA: (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one
|
---|
由来 | cryptococcus neoformans var. grubii serotype a (strain h99 / atcc 208821 / cbs 10515 / fgsc 9487) (菌類) cryptococcus neoformans var. grubii h99 (菌類)![](img/tx_mammal.gif) rattus norvegicus (ドブネズミ)
|
---|
キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / Inhibitor / Antifungal / TRANSFERASE / TRANSFERASE-Inhibitor complex / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE/INHIBITOR / Protein prenylyltransferase |
---|