Structural basis for species specific inhibition of 17β-hydroxysteroid dehydrogenase type 1 (17β-HSD1): Computational study and biological validation

PLoS ONE

Volumn 6, Issue 8, 2011, Pages

  Klein, Tobias ^a,b   Henn, Claudia ^a,b   Negri, Matthias ^a,b   Frotscher, Martin ^a  

^a SAARLAND UNIVERSITY   (Germany)

^b SAARLAND UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

17BETA HYDROXYSTEROID DEHYDROGENASE TYPE 1; PROTEIN INHIBITOR; TESTOSTERONE 17BETA DEHYDROGENASE; UNCLASSIFIED DRUG; AMINO ACID; ENZYME INHIBITOR; ESTRADIOL 17BETA DEHYDROGENASE; HSD17B1 PROTEIN, HUMAN; HSD17B2 PROTEIN, HUMAN;

ALPHA HELIX; AMINO TERMINAL SEQUENCE; ARTICLE; BINDING SITE; CALLITRICHINAE; CARBOXY TERMINAL SEQUENCE; CHEMICAL STRUCTURE; CONTROLLED STUDY; DECOMPOSITION; ENZYME INHIBITION; ENZYME SPECIFICITY; HUMAN; MATHEMATICAL COMPUTING; MOLECULAR DOCKING; MOLECULAR MODEL; MOUSE; NONHUMAN; PROTEIN ANALYSIS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN INTERACTION; PROTEIN STRUCTURE; RAT; SEQUENCE ALIGNMENT; SEQUENCE HOMOLOGY; SITE DIRECTED MUTAGENESIS; AMINO ACID SEQUENCE; ANIMAL; CALLITHRIX; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; GENETICS; KINETICS; METABOLISM; MOLECULAR GENETICS; PROTEIN TERTIARY STRUCTURE; SPECIES DIFFERENCE; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

MARMOSETS;

AMINO ACID SEQUENCE; AMINO ACIDS; ANIMALS; BINDING SITES; CALLITHRIX; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ENZYME INHIBITORS; ESTRADIOL DEHYDROGENASES; HUMANS; KINETICS; MODELS, MOLECULAR; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; SEQUENCE HOMOLOGY, AMINO ACID; SPECIES SPECIFICITY; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY;

EID: 79961218004     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0022990     Document Type: Article

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