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-Structure paper
タイトル | Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA. |
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ジャーナル・号・ページ | Biochemistry, Vol. 54, Page 4683-4691, Year 2015 |
掲載日 | 2015年7月20日 (構造データの登録日) |
![]() | Lai, C.T. / Li, H.J. / Yu, W. / Shah, S. / Bommineni, G.R. / Perrone, V. / Garcia-Diaz, M. / Tonge, P.J. / Simmerling, C. |
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手法 | X線回折 |
解像度 | 1.997 - 3.409 Å |
構造データ | ![]() PDB-5coq: ![]() PDB-5cp8: ![]() PDB-5cpb: ![]() PDB-5cpf: |
化合物 | ![]() ChemComp-NAD: ![]() ChemComp-TCU: ![]() ChemComp-NA: ![]() ChemComp-HOH: ![]() ChemComp-ETE: ![]() ChemComp-EPE: ![]() ChemComp-53K: |
由来 |
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![]() | OXIDOREDUCTASE / Fatty acid biosynthesis Slow-onset inhibition Crystallographic disorder Molecular dynamics simulation / Crystal packing Fatty acid biosynthesis Slow-onset inhibition Free energy calculation / Fatty acid biosynthesis inhibition / Fatty acid biosynthesis inhibition Substrate binding loop conformation Free energy calculation |