Allosteric drugs: the interaction of antitumor compound MKT-077 with human Hsp70 chaperones.
Aikaterini Rousaki,Yoshinari Miyata,Umesh K. Jinwal,Chad A. Dickey,Jason E. Gestwicki,Erik R. P. Zuiderweg +5 more
TLDR
It is demonstrated that the action of the potent anticancer compound MKT-077 occurs through a differential interaction with Hsp70 allosteric states, and is therefore an "allosteric drug" using NMR spectroscopy.About:
This article is published in Journal of Molecular Biology.The article was published on 2011-08-19 and is currently open access. It has received 161 citations till now. The article focuses on the topics: Allosteric enzyme & Allosteric regulation.read more
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The HSP70 family and cancer
TL;DR: The history, regulation, mechanism of action and role in cancer of the HSP70 family are reviewed, and the promise of pharmacologically targeting this protein for cancer therapy is addressed.
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The human HSP70 family of chaperones: where do we stand?
TL;DR: This review focuses on the regulation, function, and relevance of the molecular Hsp70 chaperone machinery to disease and its potential as a therapeutic target.
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HSPA8/HSC70 chaperone protein: structure, function, and chemical targeting.
TL;DR: This review focused on HSC70 structure-function considerations and put a particular emphasis on H SC70 targeting by small molecules and peptides in order to develop intervention strategies that deviate some of HSC60 properties for therapeutic purposes.
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An Interdomain Energetic Tug-of-War Creates the Allosterically Active State in Hsp70 Molecular Chaperones
TL;DR: This work has trapped this "allosterically active" state for the E. coli Hsp70, DnaK, and identified how interactions among the NBD, the β subdomain of the S BD, the SBD α-helical lid, and the conserved hydrophobic interdomain linker enable allosteric signal transmission between ligand-binding sites.
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Inhibition of HSP70: a challenging anti-cancer strategy.
Anastasia R. Goloudina,Anastasia R. Goloudina,Oleg N. Demidov,Oleg N. Demidov,Carmen Garrido,Carmen Garrido +5 more
TL;DR: The recent advancement in creation of novel HSP70 inhibitors and different strategies for their use in anti-cancer therapy are analyzed.
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Garrett M. Morris,David S. Goodsell,Robert Scott Halliday,Ruth Huey,William E. Hart,Richard K. Belew,Arthur J. Olson +6 more
TL;DR: It is shown that both the traditional and Lamarckian genetic algorithms can handle ligands with more degrees of freedom than the simulated annealing method used in earlier versions of AUTODOCK, and that the Lamarckia genetic algorithm is the most efficient, reliable, and successful of the three.
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The Amber biomolecular simulation programs
David A. Case,Thomas E. Cheatham,Tom Darden,Holger Gohlke,Ray Luo,Kenneth M. Merz,Alexey V. Onufriev,Carlos Simmerling,Bing Wang,Robert J. Woods +9 more
TL;DR: The development, current features, and some directions for future development of the Amber package of computer programs, which contains a group of programs embodying a number of powerful tools of modern computational chemistry, focused on molecular dynamics and free energy calculations of proteins, nucleic acids, and carbohydrates.
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TL;DR: Anautomatic algorithm of perceiving atom types that are defined in a description table, and an automatic algorithm of assigning bond types just based on atomic connectivity are presented.