Replacement of water molecules in a phosphate binding site by furanoside-appended lin-benzoguanine ligands of tRNA-guanine transglycosylase (TGT)

Chemistry - A European Journal

Volumn 21, Issue 1, 2015, Pages 126-135

  Barandun, Luzi J ^a   Ehrmann, Frederik R ^b   Zimmerli, Daniel ^c   Immekus, Florian ^b   Giroud, Maude ^a   Grünenfelder, Claudio ^a   Schweizer, W Bernd ^a   Bernet, Bruno ^a   Betz, Michael ^b   Heine, Andreas ^b   Klebe, Gerhard ^b   Diederich, François ^a  

^a ETH ZURICH   (Switzerland)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

^c F HOFFMANN LA ROCHE LTD   (Switzerland)

Author keywords

Molecular recognition; Phosphate binding sites; Shigellosis; Structure based design; Water cluster

Indexed keywords

BINDING ENERGY; CRYSTAL ATOMIC STRUCTURE; ENZYMES; FUNCTIONAL GROUPS; LIGANDS; MOLECULAR RECOGNITION; MOLECULES; POSITIVE IONS;

BINDING AFFINITIES; COCRYSTAL STRUCTURE; FOOD-BORNE ILLNESS; NATURAL SUBSTRATES; PHOSPHATE BINDING; SHIGELLOSIS; STRUCTURE-BASED DESIGNS; WATER CLUSTER;

BINDING SITES;

BENZIMIDAZOLES; GUANINE; LIGANDS; PENTOSYLTRANSFERASES; PHOSPHATES; QUEUINE TRNA-RIBOSYLTRANSFERASE; WATER;

BINDING SITES; CATALYTIC DOMAIN; CHEMICAL SYNTHESIS; CHEMISTRY; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYMOLOGY; METABOLISM; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; ZYMOMONAS;

BENZIMIDAZOLES; BINDING SITES; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; GUANINE; LIGANDS; MOLECULAR CONFORMATION; MOLECULAR DOCKING SIMULATION; PENTOSYLTRANSFERASES; PHOSPHATES; WATER; ZYMOMONAS;

EID: 84920383108     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201405764     Document Type: Article

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