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Structural refinement of the hERG1 pore and voltage-sensing domains with ROSETTA-membrane and molecular dynamics simulations.

Subbotina J, Yarov-Yarovoy V, Lees-Miller J, Durdagi S, Guo J, Duff HJ, Noskov SY.

Proteins. 2010 Nov 1;78(14):2922-34. doi: 10.1002/prot.22815.


Interactions of H562 in the S5 helix with T618 and S621 in the pore helix are important determinants of hERG1 potassium channel structure and function.

Lees-Miller JP, Subbotina JO, Guo J, Yarov-Yarovoy V, Noskov SY, Duff HJ.

Biophys J. 2009 May 6;96(9):3600-10. doi: 10.1016/j.bpj.2009.01.028.


Hydrophobic interactions between the voltage sensor and pore mediate inactivation in Kv11.1 channels.

Perry MD, Wong S, Ng CA, Vandenberg JI.

J Gen Physiol. 2013 Sep;142(3):275-88. doi: 10.1085/jgp.201310975.


Structure driven design of novel human ether-a-go-go-related-gene channel (hERG1) activators.

Guo J, Durdagi S, Changalov M, Perissinotti LL, Hargreaves JM, Back TG, Noskov SY, Duff HJ.

PLoS One. 2014 Sep 5;9(9):e105553. doi: 10.1371/journal.pone.0105553. eCollection 2014.


Modeling of open, closed, and open-inactivated states of the hERG1 channel: structural mechanisms of the state-dependent drug binding.

Durdagi S, Deshpande S, Duff HJ, Noskov SY.

J Chem Inf Model. 2012 Oct 22;52(10):2760-74. doi: 10.1021/ci300353u. Epub 2012 Oct 2.


PD-118057 contacts the pore helix of hERG1 channels to attenuate inactivation and enhance K+ conductance.

Perry M, Sachse FB, Abbruzzese J, Sanguinetti MC.

Proc Natl Acad Sci U S A. 2009 Nov 24;106(47):20075-80. doi: 10.1073/pnas.0906597106. Epub 2009 Nov 5.


Structural basis of action for a human ether-a-go-go-related gene 1 potassium channel activator.

Perry M, Sachse FB, Sanguinetti MC.

Proc Natl Acad Sci U S A. 2007 Aug 21;104(34):13827-32. Epub 2007 Aug 10.


Interactions between voltage sensor and pore domains in a hERG K+ channel model from molecular simulations and the effects of a voltage sensor mutation.

Colenso CK, Sessions RB, Zhang YH, Hancox JC, Dempsey CE.

J Chem Inf Model. 2013 Jun 24;53(6):1358-70. doi: 10.1021/ci4000739. Epub 2013 May 24.


Combined receptor and ligand-based approach to the universal pharmacophore model development for studies of drug blockade to the hERG1 pore domain.

Durdagi S, Duff HJ, Noskov SY.

J Chem Inf Model. 2011 Feb 28;51(2):463-74. doi: 10.1021/ci100409y. Epub 2011 Jan 11.


The S4-S5 linker directly couples voltage sensor movement to the activation gate in the human ether-a'-go-go-related gene (hERG) K+ channel.

Ferrer T, Rupp J, Piper DR, Tristani-Firouzi M.

J Biol Chem. 2006 May 5;281(18):12858-64. Epub 2006 Mar 8.


Structure-guided topographic mapping and mutagenesis to elucidate binding sites for the human ether-a-go-go-related gene 1 potassium channel (KCNH2) activator NS1643.

Durdagi S, Guo J, Lees-Miller JP, Noskov SY, Duff HJ.

J Pharmacol Exp Ther. 2012 Aug;342(2):441-52. doi: 10.1124/jpet.111.189159. Epub 2012 May 9.


C-Linker Accounts for Differential Sensitivity of ERG1 and ERG2 K+ Channels to RPR260243-Induced Slow Deactivation.

Gardner A, Sanguinetti MC.

Mol Pharmacol. 2015 Jul;88(1):19-28. doi: 10.1124/mol.115.098384. Epub 2015 Apr 17.


Modification of hERG1 channel gating by Cd2+.

Abbruzzese J, Sachse FB, Tristani-Firouzi M, Sanguinetti MC.

J Gen Physiol. 2010 Aug;136(2):203-24. doi: 10.1085/jgp.201010450.


Molecular determinants of human ether-à-go-go-related gene 1 (hERG1) K+ channel activation by NS1643.

Grunnet M, Abbruzzese J, Sachse FB, Sanguinetti MC.

Mol Pharmacol. 2011 Jan;79(1):1-9. doi: 10.1124/mol.110.067728. Epub 2010 Sep 27.


Molecular Basis of Altered hERG1 Channel Gating Induced by Ginsenoside Rg3.

Gardner A, Wu W, Thomson S, Zangerl-Plessl EM, Stary-Weinzinger A, Sanguinetti MC.

Mol Pharmacol. 2017 Oct;92(4):437-450. doi: 10.1124/mol.117.108886. Epub 2017 Jul 13.


Molecular determinants for activation of human ether-à-go-go-related gene 1 potassium channels by 3-nitro-n-(4-phenoxyphenyl) benzamide.

Garg V, Stary-Weinzinger A, Sachse F, Sanguinetti MC.

Mol Pharmacol. 2011 Oct;80(4):630-7. doi: 10.1124/mol.111.073809. Epub 2011 Jul 8.


Interactions between charged residues in the transmembrane segments of the voltage-sensing domain in the hERG channel.

Zhang M, Liu J, Jiang M, Wu DM, Sonawane K, Guy HR, Tseng GN.

J Membr Biol. 2005 Oct;207(3):169-81.


Structural insight into the transmembrane segments 3 and 4 of the hERG potassium channel.

Li Q, Wong YL, Ng HQ, Gayen S, Kang C.

J Pept Sci. 2014 Dec;20(12):935-44. doi: 10.1002/psc.2704. Epub 2014 Oct 20.


Probing the outer mouth structure of the HERG channel with peptide toxin footprinting and molecular modeling.

Tseng GN, Sonawane KD, Korolkova YV, Zhang M, Liu J, Grishin EV, Guy HR.

Biophys J. 2007 May 15;92(10):3524-40. Epub 2007 Feb 9.

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