Dictyostatin flexibility bridges conformations in solution and in the β-tubulin taxane binding site

Journal of the American Chemical Society

Volumn 133, Issue 8, 2011, Pages 2427-2436

  Jogalekar, Ashutosh S ^a   Damodaran, Krishnan ^b   Kriel, Frederik H ^a   Jung, Won Hyuk ^b   Alcaraz, Ana A ^a   Zhong, Shi ^a   Curran, Dennis P ^b   Snyder, James P ^a  

^a EMORY UNIVERSITY   (United States)

^b UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AUTODOCK; BINDING MODELS; BINDING MODES; CONFORMATIONAL SEARCH; DICTYOSTATIN; DOCKING METHODS; GEOMETRIC PARAMETER; GLOBAL MINIMA; LOW ENERGIES; MACROLIDES; MICROTUBULES; POLYKETIDES; POLYMERIZATION ACTIVITY; SITE INTERACTION; SOLUTION CONFORMATIONS; SOLUTION NMR; SOLUTION STRUCTURES; STRUCTURE-ACTIVITY;

BINDING ENERGY; DRUG PRODUCTS; METHANOL; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

CONFORMATIONS;

BETA TUBULIN; CONF 2 PROTEIN; DICTYOSTATIN; DIMETHYL SULFOXIDE; MACROLIDE; MEMBRANE PROTEIN; METHANOL; TAXANE DERIVATIVE; UNCLASSIFIED DRUG; WATER;

ARTICLE; BINDING AFFINITY; BINDING SITE; COMPLEX FORMATION; CONTROLLED STUDY; DRUG CONFORMATION; GEOMETRY; MICROTUBULE ASSEMBLY; MOLECULAR DOCKING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; NUCLEAR OVERHAUSER EFFECT; SOLUTION AND SOLUBILITY; STEREOCHEMISTRY; STRUCTURE ACTIVITY RELATION;

BINDING SITES; BRIDGED COMPOUNDS; MACROLIDES; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SOLUTIONS; TUBULIN;

EID: 79952259553     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja1023817     Document Type: Article

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