Ligand- and mutation-induced conformational selection in the CCR5 chemokine G protein-coupled receptor

Proceedings of the National Academy of Sciences of the United States of America

Volumn 111, Issue 36, 2014, Pages 13040-13045

  Abrol, Ravinder ^a,c   Trzaskowski, Bartosz ^a,d   Goddard, William A ^a   Nesterov, Alexandre ^b   Olave, Ivan ^b   Irons, Christopher ^b  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b PharmSelex Inc   (United States)

^c CEDARS SINAI MEDICAL CENTER   (United States)

^d UNIVERSITY OF WARSAW   (Poland)

Author keywords

Conformational ensemble; Functional selectivity; GEnSeMBLE; Ligand protein binding prediction; Protein structure prediction

Indexed keywords

CHEMOKINE RECEPTOR CCR5; CYCLOHEXANE DERIVATIVE; LIGAND; MARAVIROC; MUTANT PROTEIN; TRIAZOLE DERIVATIVE;

BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; GENETICS; HUMAN; METABOLISM; MUTATION; PROTEIN SECONDARY STRUCTURE; STRUCTURAL HOMOLOGY; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; CYCLOHEXANES; HUMANS; LIGANDS; MODELS, MOLECULAR; MUTANT PROTEINS; MUTATION; PROTEIN STRUCTURE, SECONDARY; RECEPTORS, CCR5; STRUCTURAL HOMOLOGY, PROTEIN; THERMODYNAMICS; TRIAZOLES;

EID: 84906968883     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1413216111     Document Type: Article

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