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Crystal packing modifies ligand binding affinity: the case of aldose reductase.
Cousido-Siah A, Petrova T, Hazemann I, Mitschler A, Ruiz FX, Howard E, Ginell S, Atmanene C, Van Dorsselaer A, Sanglier-Cianférani S, Joachimiak A, Podjarny A. Cousido-Siah A, et al. Among authors: joachimiak a. Proteins. 2012 Nov;80(11):2552-61. doi: 10.1002/prot.24136. Epub 2012 Jul 28. Proteins. 2012. PMID: 22752989 Free PMC article.
The atomic resolution structure of human aldose reductase reveals that rearrangement of a bound ligand allows the opening of the safety-belt loop.
Biadene M, Hazemann I, Cousido A, Ginell S, Joachimiak A, Sheldrick GM, Podjarny A, Schneider TR. Biadene M, et al. Among authors: joachimiak a. Acta Crystallogr D Biol Crystallogr. 2007 Jun;63(Pt 6):665-72. doi: 10.1107/S0907444907011997. Epub 2007 May 15. Acta Crystallogr D Biol Crystallogr. 2007. PMID: 17505104
Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase.
Blakeley MP, Ruiz F, Cachau R, Hazemann I, Meilleur F, Mitschler A, Ginell S, Afonine P, Ventura ON, Cousido-Siah A, Haertlein M, Joachimiak A, Myles D, Podjarny A. Blakeley MP, et al. Among authors: joachimiak a. Proc Natl Acad Sci U S A. 2008 Feb 12;105(6):1844-8. doi: 10.1073/pnas.0711659105. Epub 2008 Feb 4. Proc Natl Acad Sci U S A. 2008. PMID: 18250329 Free PMC article.
Factorizing selectivity determinants of inhibitor binding toward aldose and aldehyde reductases: structural and thermodynamic properties of the aldose reductase mutant Leu300Pro-fidarestat complex.
Petrova T, Steuber H, Hazemann I, Cousido-Siah A, Mitschler A, Chung R, Oka M, Klebe G, El-Kabbani O, Joachimiak A, Podjarny A. Petrova T, et al. Among authors: joachimiak a. J Med Chem. 2005 Sep 8;48(18):5659-65. doi: 10.1021/jm050424+. J Med Chem. 2005. PMID: 16134934
Unusual binding mode of the 2S4R stereoisomer of the potent aldose reductase cyclic imide inhibitor fidarestat (2S4S) in the 15 K crystal structure of the ternary complex refined at 0.78 A resolution: implications for the inhibition mechanism.
Zhao HT, Hazemann I, Mitschler A, Carbone V, Joachimiak A, Ginell S, Podjarny A, El-Kabbani O. Zhao HT, et al. Among authors: joachimiak a. J Med Chem. 2008 Mar 13;51(5):1478-81. doi: 10.1021/jm701514k. Epub 2008 Feb 20. J Med Chem. 2008. PMID: 18284183
X-ray-radiation-induced cooperative atomic movements in protein.
Petrova T, Lunin VY, Ginell S, Hazemann I, Lazarski K, Mitschler A, Podjarny A, Joachimiak A. Petrova T, et al. Among authors: joachimiak a. J Mol Biol. 2009 Apr 17;387(5):1092-105. doi: 10.1016/j.jmb.2009.02.030. Epub 2009 Feb 20. J Mol Biol. 2009. PMID: 19233199
429 results