The mechanism of allosteric coupling in choline kinase α1 revealed by the action of a rationally designed inhibitor

Angewandte Chemie - International Edition

Volumn 52, Issue 17, 2013, Pages 4582-4586

  Sahún Roncero, María ^a   Rubio Ruiz, Belén ^b   Saladino, Giorgio ^c,d   Conejo García, Ana ^b   Espinosa, Antonio ^b   Velázquez Campoy, Adrián ^a   Gervasio, Francesco Luigi ^c,d   Entrena, Antonio ^b   Hurtado Guerrero, Ramon ^a  

^a UNIVERSITY OF ZARAGOZA   (Spain)

^b UNIVERSITY OF GRANADA   (Spain)

^c Centro Nacional de Investigaciones Oncológicas   (Spain)

^d UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

allosteric mechanisms; Choline kinase 1; elastic network analysis; molecular dynamics; X ray diffraction

Indexed keywords

ALLOSTERIC COUPLING; ALLOSTERIC MECHANISMS; BINDING MODES; CHOLINE KINASE; COMPUTATIONAL STUDIES; COOPERATIVITY; MOLECULAR MECHANISM;

BINDING ENERGY; ENZYMES; MOLECULAR DYNAMICS; X RAY DIFFRACTION;

DIMERS;

CHOLINE KINASE; PROTEIN KINASE INHIBITOR;

ALLOSTERISM; ARTICLE; CHEMISTRY; DRUG ANTAGONISM; DRUG DESIGN; HUMAN; METABOLISM; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; X RAY DIFFRACTION;

ALLOSTERIC REGULATION; CHOLINE KINASE; DRUG DESIGN; HUMANS; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; X-RAY DIFFRACTION;

EID: 84876494489     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201209660     Document Type: Article

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