Structure-based approaches to improve selectivity: CDK2-GSK3β binding site analysis

Journal of Chemical Information and Modeling

Volumn 45, Issue 5, 2005, Pages 1282-1290

  Vulpetti, Anna ^a,b   Crivori, Patrizia ^a,c   Cameron, Alexander ^a,b   Bertrand, Jay ^a,b   Brasca, Maria Gabriella ^a,b   D'Alessio, Roberto ^a,b   Pevarello, Paolo ^a,b  

^a NERVIANO MEDICAL SCIENCES   (Italy)

^b Department of Chemistry ^*

^c Attrition Reducing Technologies   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CRYSTAL STRUCTURE; MUTAGENESIS; PROTEINS; VISUALIZATION;

BINDING POCKETS; CDK2 INHIBITOR; SELECTIVE LIGANDS; STRUCTURAL DIFFERENCES;

PRINCIPAL COMPONENT ANALYSIS;

ADENOSINE TRIPHOSPHATE; CYCLIN A; CYCLIN DEPENDENT KINASE 2; GLYCOGEN SYNTHASE KINASE 3; GLYCOGEN SYNTHASE KINASE 3 BETA;

ARTICLE; BINDING SITE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; CRYSTALLIZATION; DRUG ANTAGONISM; GENETICS; METABOLISM; METHODOLOGY; PRINCIPAL COMPONENT ANALYSIS; PROTEIN BINDING; PROTEIN CONFORMATION; SENSITIVITY AND SPECIFICITY; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

ADENOSINE TRIPHOSPHATE; BINDING SITES; COMPUTATIONAL BIOLOGY; CRYSTALLIZATION; CRYSTALLOGRAPHY, X-RAY; CYCLIN A; CYCLIN-DEPENDENT KINASE 2; GLYCOGEN SYNTHASE KINASE 3; MODELS, MOLECULAR; PRINCIPAL COMPONENT ANALYSIS; PROTEIN BINDING; PROTEIN CONFORMATION; SENSITIVITY AND SPECIFICITY; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 26944452838     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0500280     Document Type: Article

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