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Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
Nordqvist A, O'Mahony G, Fridén-Saxin M, Fredenwall M, Hogner A, Granberg KL, Aagaard A, Bäckström S, Gunnarsson A, Kaminski T, Xue Y, Dellsén A, Hansson E, Hansson P, Ivarsson I, Karlsson U, Bamberg K, Hermansson M, Georgsson J, Lindmark B, Edman K. Nordqvist A, et al. Among authors: aagaard a. ChemMedChem. 2017 Jan 5;12(1):50-65. doi: 10.1002/cmdc.201600529. Epub 2016 Dec 15. ChemMedChem. 2017. PMID: 27897427
Fragment-Based Discovery of Novel Allosteric MEK1 Binders.
Di Fruscia P, Edfeldt F, Shamovsky I, Collie GW, Aagaard A, Barlind L, Börjesson U, Hansson EL, Lewis RJ, Nilsson MK, Öster L, Pemberton J, Ripa L, Storer RI, Käck H. Di Fruscia P, et al. Among authors: aagaard a. ACS Med Chem Lett. 2021 Jan 27;12(2):302-308. doi: 10.1021/acsmedchemlett.0c00563. eCollection 2021 Feb 11. ACS Med Chem Lett. 2021. PMID: 33603979 Free PMC article.
Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Edman K, Hosseini A, Bjursell MK, Aagaard A, Wissler L, Gunnarsson A, Kaminski T, Köhler C, Bäckström S, Jensen TJ, Cavallin A, Karlsson U, Nilsson E, Lecina D, Takahashi R, Grebner C, Geschwindner S, Lepistö M, Hogner AC, Guallar V. Edman K, et al. Among authors: aagaard a. Structure. 2015 Dec 1;23(12):2280-2290. doi: 10.1016/j.str.2015.09.012. Epub 2015 Oct 22. Structure. 2015. PMID: 26602186 Free article.
Relocation of an internal proton donor in cytochrome c oxidase results in an altered pK(a) and a non-integer pumping stoichiometry.
Gilderson G, Aagaard A, Brzezinski P. Gilderson G, et al. Among authors: aagaard a. Biophys Chem. 2002 Jul 10;98(1-2):105-14. doi: 10.1016/s0301-4622(02)00088-1. Biophys Chem. 2002. PMID: 12128193
In a recent study, we showed that a mutant enzyme in which E(I-286) was re-located to the opposite side of the D-pathway [EA(I-286)/IE(I-112) double mutant enzyme] was able to pump protons, although with a stoichiometry that was lower than that of the wild-ty …
In a recent study, we showed that a mutant enzyme in which E(I-286) was re-located to the opposite side of the D-pathway [EA(I …
Potent and Orally Bioavailable Inverse Agonists of RORγt Resulting from Structure-Based Design.
Narjes F, Xue Y, von Berg S, Malmberg J, Llinas A, Olsson RI, Jirholt J, Grindebacke H, Leffler A, Hossain N, Lepistö M, Thunberg L, Leek H, Aagaard A, McPheat J, Hansson EL, Bäck E, Tångefjord S, Chen R, Xiong Y, Hongbin G, Hansson TG. Narjes F, et al. Among authors: aagaard a. J Med Chem. 2018 Sep 13;61(17):7796-7813. doi: 10.1021/acs.jmedchem.8b00783. Epub 2018 Aug 27. J Med Chem. 2018. PMID: 30095900
39 results