タイトル Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product. ジャーナル・号・ページ ACS Infect Dis , Vol. 2, Page 627-641, Year 2016掲載日 2013年8月12日 (構造データの登録日) 著者Hughes, S.J. / Barnard, L. / Mottaghi, K. / Tempel, W. / Antoshchenko, T. / Hong, B.S. / Allali-Hassani, A. / Smil, D. / Vedadi, M. / Strauss, E. / Park, H.W. リンク ACS Infect Dis / PubMed:27759386手法 X線回折 解像度 1.4 - 1.8 Å 構造データ PDB-4m7x : 構造ビューア Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog手法 : X-RAY DIFFRACTION / 解像度 : 1.42 Å
PDB-4m7y : 構造ビューア Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog手法 : X-RAY DIFFRACTION / 解像度 : 1.8 Å
PDB-5elz : 構造ビューア Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog手法 : X-RAY DIFFRACTION / 解像度 : 1.8 Å
PDB-5jic : 構造ビューア Staphylococcus aureus Type II pantothenate kinase in complex with a pantothenate analog手法 : X-RAY DIFFRACTION / 解像度 : 1.4 Å
化合物 ChemComp-27Q : 構造ビューア N-heptyl-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
ChemComp-2GH : 構造ビューア N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-pentyl-beta-alaninamide
ChemComp-3V9 : 構造ビューア N-(1,3-benzodioxol-5-ylmethyl)-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
ChemComp-N7E : 構造ビューア N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide
由来 staphylococcus aureus subsp. aureus (黄色ブドウ球菌)staphylococcus aureus (黄色ブドウ球菌)staphylococcus aureus (strain mw2) (黄色ブドウ球菌) キーワード TRANSFERASE/TRANSFERASE inhibitor / pantothenate kinase / inhibitor / antibacterial / TRANSFERASE-TRANSFERASE inhibitor complex / Structural Genomics / Structural Genomics Consortium / SGC / pantothenamide / antimicrobial