Comprehensive experimental and computational analysis of binding energy hot spots at the NF-κB essential modulator/IKKβ protein-protein interface

Journal of the American Chemical Society

Volumn 135, Issue 16, 2013, Pages 6242-6256

  Golden, Mary S ^a,c   Cote, Shaun M ^a   Sayeg, Marianna ^b   Zerbe, Brandon S ^b,d   Villar, Elizabeth A ^a   Beglov, Dmitri ^b   Sazinsky, Stephen L ^a,e   Georgiadis, Rosina M ^a   Vajda, Sandor ^a,b   Kozakov, Dima ^b   Whitty, Adrian ^a  

^a Boston University   (United States)

^b Boston University   (United States)

^c VERTEX PHARMACEUTICALS   (United States)

^d UNIVERSITY OF CALIFORNIA   (United States)

^e MERRIMACK PHARMACEUTICALS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALANINE-SCANNING MUTAGENESIS; COMPREHENSIVE ANALYSIS; COMPUTATIONAL ANALYSIS; COMPUTATIONAL APPROACH; NUCLEAR FACTOR KAPPAB; PROTEIN-PROTEIN INTERACTIONS; PROTEIN-PROTEIN INTERFACE; SMALL-MOLECULE INHIBITORS;

AMINO ACIDS; BINDING ENERGY; COMPUTATIONAL METHODS;

PROTEINS;

ALANINE; ENZYME VARIANT; I KAPPA B KINASE BETA; I KAPPA B KINASE GAMMA; I KAPPA B KINASE INHIBITOR; MUTANT PROTEIN; PEPTIDE FRAGMENT;

ANISOTROPY; ARTICLE; BINDING AFFINITY; BINDING SITE; CONTROLLED STUDY; CRYSTAL STRUCTURE; ENERGY; ENZYME BINDING; ENZYME CONFORMATION; ENZYME STABILITY; ENZYME STRUCTURE; MUTAGENESIS; PEPTIDE MAPPING; PROTEIN DOMAIN; PROTEIN PROTEIN INTERACTION; X RAY CRYSTALLOGRAPHY;

ALANINE; ALGORITHMS; AMINO ACIDS; ANISOTROPY; COMPUTATIONAL BIOLOGY; GENETIC VECTORS; I-KAPPA B KINASE; MODELS, MOLECULAR; MUTAGENESIS; MUTAGENESIS, SITE-DIRECTED; NF-KAPPA B; PROTEIN BINDING; RECOMBINANT FUSION PROTEINS; SIGNAL TRANSDUCTION; X-RAY DIFFRACTION;

EID: 84876706823     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja400914z     Document Type: Article

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