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-Structure paper
タイトル | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA. |
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ジャーナル・号・ページ | Acs Chem. Biol., Vol. 9, Page 986-993, Year 2014 |
掲載日 | 2014年1月18日 (構造データの登録日) |
![]() | Li, H.J. / Lai, C.T. / Pan, P. / Yu, W. / Liu, N. / Bommineni, G.R. / Garcia-Diaz, M. / Simmerling, C. / Tonge, P.J. |
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手法 | X線回折 |
解像度 | 1.598 - 2.3501 Å |
構造データ | ![]() PDB-4ohu: ![]() PDB-4oxk: ![]() PDB-4oxn: ![]() PDB-4oxy: ![]() PDB-4oyr: |
化合物 | ![]() ChemComp-NAD: ![]() ChemComp-2TK: ![]() ChemComp-HOH: ![]() ChemComp-1S5: ![]() ChemComp-2NV: ![]() ChemComp-CL: ![]() ChemComp-EPE: ![]() ChemComp-1TN: ![]() ChemComp-1US: |
由来 |
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![]() | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / catalysis / inhibition / slow-onset inhibition / induced-fit / conformational change / simulation / binding pathway / binding energy / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex / Bacterial fatty acid biosynthesis / conformational profile of enzyme-inhibitor complex / inhibition kinetics / substrate-binding loop refolding / enzyme-inhibitor complex / conformational heterogeneity |