A structural and energetic model for the slow-onset inhibition of the mycobacterium tuberculosis ENoyl-ACP reductase InhA

ACS Chemical Biology

Volumn 9, Issue 4, 2014, Pages 986-993

  Li, Huei Jiun ^a   Lai, Cheng Tsung ^a   Pan, Pan ^a   Yu, Weixuan ^a   Liu, Nina ^a   Bommineni, Gopal R ^a   Garcia Diaz, Miguel ^a   Simmerling, Carlos ^a   Tonge, Peter J ^a  

^a STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIAL ENZYME; ENOYL ACP REDUCTASE INHIBITOR; ENZYME INHIBITOR; OXIDOREDUCTASE; PROTEIN INHA; PT 10; PT 155; PT 70; PT 91; PT 92; UNCLASSIFIED DRUG; BACTERIAL PROTEIN; INHA PROTEIN, MYCOBACTERIUM; PROTEIN BINDING; TUBERCULOSTATIC AGENT;

ARTICLE; BINDING KINETICS; CATALYSIS; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DRUG STRUCTURE; DRUG TARGETING; ENERGY TRANSFER; ENZYME CONFORMATION; ENZYME INHIBITION; ENZYME INHIBITOR INTERACTION; ENZYME METABOLISM; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; ISOMERIZATION; MOLECULAR DYNAMICS; MOLECULAR MODEL; MYCOBACTERIUM TUBERCULOSIS; PRIORITY JOURNAL; PROTEIN REFOLDING; X RAY CRYSTALLOGRAPHY; ANTAGONISTS AND INHIBITORS; BIOLOGICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG EFFECTS; ENZYME ACTIVATION; ENZYMOLOGY; METABOLISM; THERMODYNAMICS;

ANTITUBERCULAR AGENTS; BACTERIAL PROTEINS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ENZYME ACTIVATION; ENZYME INHIBITORS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; MYCOBACTERIUM TUBERCULOSIS; OXIDOREDUCTASES; PROTEIN BINDING; THERMODYNAMICS;

EID: 84899111509     PISSN: 15548929     EISSN: 15548937     Source Type: Journal    
DOI: 10.1021/cb400896g     Document Type: Article

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