{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,6]],"date-time":"2026-05-06T08:06:14Z","timestamp":1778054774060,"version":"3.51.4"},"reference-count":33,"publisher":"Public Library of Science (PLoS)","issue":"7","license":[{"start":{"date-parts":[[2013,7,10]],"date-time":"2013-07-10T00:00:00Z","timestamp":1373414400000},"content-version":"unspecified","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["www.plosone.org"],"crossmark-restriction":false},"short-container-title":["PLoS ONE"],"DOI":"10.1371\/journal.pone.0067213","type":"journal-article","created":{"date-parts":[[2013,7,10]],"date-time":"2013-07-10T21:05:52Z","timestamp":1373490352000},"page":"e67213","update-policy":"https:\/\/doi.org\/10.1371\/journal.pone.corrections_policy","source":"Crossref","is-referenced-by-count":5,"title":["Unique Mechanism of the Interaction between Honey Bee Toxin TPNQ and rKir1.1 Potassium Channel Explored by Computational Simulations: Insights into the Relative Insensitivity of Channel towards Animal Toxins"],"prefix":"10.1371","volume":"8","author":[{"given":"Jun","family":"Hu","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Su","family":"Qiu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fan","family":"Yang","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zhijian","family":"Cao","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wenxin","family":"Li","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yingliang","family":"Wu","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"340","published-online":{"date-parts":[[2013,7,10]]},"reference":[{"key":"ref1","doi-asserted-by":"crossref","first-page":"440","DOI":"10.1038\/nature04707","article-title":"From molecule to malady","volume":"440","author":"FM Ashcroft","year":"2006","journal-title":"Nature"},{"key":"ref2","doi-asserted-by":"crossref","first-page":"2503","DOI":"10.2174\/138161208785777441","article-title":"Animal toxins acting on voltage-gated potassium channels","volume":"14","author":"S Mouhat","year":"2008","journal-title":"Curr Pharm Des"},{"key":"ref3","doi-asserted-by":"crossref","first-page":"6836","DOI":"10.1021\/ja042641q","article-title":"Electrostatic recognition and induced fit in the kappa-PVIIA toxin binding to Shaker potassium channel","volume":"127","author":"X Huang","year":"2005","journal-title":"J Am Chem Soc"},{"key":"ref4","doi-asserted-by":"crossref","first-page":"611","DOI":"10.1021\/pr060368g","article-title":"Interaction simulation of hERG K<sup>+<\/sup> channel with its specific BeKm-1 peptide: Insights into the selectivity of molecular recognition","volume":"6","author":"H Yi","year":"2007","journal-title":"J Proteome Res"},{"key":"ref5","doi-asserted-by":"crossref","first-page":"4890","DOI":"10.1021\/pr800494a","article-title":"Different residues in channel turret determining the selectivity of ADWX-1 inhibitor peptide between Kv1.1 and Kv1.3 channels","volume":"7","author":"SJ Yin","year":"2008","journal-title":"J Proteome Res"},{"key":"ref6","doi-asserted-by":"crossref","first-page":"1831","DOI":"10.1021\/ci900025n","article-title":"Molecular information of charybdotoxin blockade in the large conductance calcium-activated potassium channel","volume":"49","author":"S Qiu","year":"2009","journal-title":"J Chem Inf Model"},{"key":"ref7","doi-asserted-by":"crossref","first-page":"13813","DOI":"10.1074\/jbc.M112.343996","article-title":"Hg1, novel peptide inhibitor specific for Kv1.3 channels from first scorpion Kunitz-type potassium channel toxin family","volume":"287","author":"ZY Chen","year":"2012","journal-title":"J Biol Chem"},{"key":"ref8","doi-asserted-by":"crossref","first-page":"982","DOI":"10.1038\/nrd2983","article-title":"Voltage-gated potassium channels as therapeutic targets","volume":"8","author":"H Wulff","year":"2009","journal-title":"Nat Rev Drug Discov"},{"key":"ref9","doi-asserted-by":"crossref","first-page":"19058","DOI":"10.1074\/jbc.M802054200","article-title":"Structural basis of a potent peptide inhibitor designed for Kv1.3 channel, a therapeutic target of autoimmune disease","volume":"283","author":"S Han","year":"2008","journal-title":"J Biol Chem"},{"key":"ref10","doi-asserted-by":"crossref","first-page":"29479","DOI":"10.1074\/jbc.M112.379594","article-title":"Selective inhibition of CCR7<sup>\u2212<\/sup> effector memory T cell activation by a novel peptide targeting Kv1.3 channel in a rat experimental autoimmune encephalomyelitis model","volume":"287","author":"Z Li","year":"2012","journal-title":"J Biol Chem"},{"key":"ref11","doi-asserted-by":"crossref","first-page":"1976","DOI":"10.1021\/bi201811j","article-title":"Engineering a potent and specific blocker of voltage-gated potassium channel Kv1.3, a target for autoimmune diseases","volume":"51","author":"R Chen","year":"2012","journal-title":"Biochemistry"},{"key":"ref12","doi-asserted-by":"crossref","first-page":"529","DOI":"10.1016\/j.toxicon.2011.07.016","article-title":"Development of a sea anemone toxin as an immunomodulator for therapy of autoimmune diseases","volume":"59","author":"V Chi","year":"2012","journal-title":"Toxicon"},{"key":"ref13","doi-asserted-by":"crossref","first-page":"14286","DOI":"10.1021\/bi991205r","article-title":"Synthesis of a stable form of tertiapin: a high-affinity inhibitor for inward-rectifier K<sup>+<\/sup> channels","volume":"38","author":"W Jin","year":"1999","journal-title":"Biochemistry"},{"key":"ref14","doi-asserted-by":"crossref","first-page":"14294","DOI":"10.1021\/bi991206j","article-title":"Mechanisms of inward-rectifier K<sup>+<\/sup> channel inhibition by tertiapin-Q","volume":"38","author":"W Jin","year":"1999","journal-title":"Biochemistry"},{"key":"ref15","doi-asserted-by":"crossref","first-page":"1668","DOI":"10.1126\/science.1180310","article-title":"Crystal structure of the eukaryotic strong inward-rectifier K<sup>+<\/sup> channel Kir2.2 at 3.1 \u00c5 resolution","volume":"326","author":"X Tao","year":"2009","journal-title":"Science"},{"key":"ref16","doi-asserted-by":"crossref","first-page":"897","DOI":"10.1126\/science.1116269","article-title":"Crystal structure of a mammalian voltage-dependent Shaker family K<sup>+<\/sup> channel","volume":"309","author":"SB Long","year":"2005","journal-title":"Science"},{"key":"ref17","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","article-title":"The Protein Data Bank","volume":"28","author":"HM Berman","year":"2000","journal-title":"Nucleic Acids Res"},{"key":"ref18","doi-asserted-by":"crossref","first-page":"3381","DOI":"10.1093\/nar\/gkg520","article-title":"SWISS-MODEL: an automated protein homology-modeling server","volume":"31","author":"T Schwede","year":"2003","journal-title":"Nucleic Acids Res"},{"key":"ref19","doi-asserted-by":"crossref","first-page":"124","DOI":"10.1002\/prot.340170203","article-title":"Solution structure of tertiapin determined using nuclear magnetic resonance and distance geometry","volume":"17","author":"X Xu","year":"1993","journal-title":"Proteins"},{"key":"ref20","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1002\/prot.10389","article-title":"ZDOCK: an initial-stage protein-docking algorithm","volume":"52","author":"R Chen","year":"2003","journal-title":"Proteins"},{"key":"ref21","unstructured":"Case DA, Darden TA, Cheatham TE, Simmerling CL, Wang J, <etal>et al<\/etal>.. (2010) Amber 11. San Francisco: University of California."},{"key":"ref22","doi-asserted-by":"crossref","first-page":"1049","DOI":"10.1002\/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F","article-title":"How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?","volume":"21","author":"JM Wang","year":"2000","journal-title":"J Comput Chem"},{"key":"ref23","doi-asserted-by":"crossref","first-page":"844","DOI":"10.1002\/prot.21706","article-title":"Molecular basis of inhibitory peptide maurotoxin recognizing Kv1.2 channel explored by ZDOCK and molecular dynamic simulations","volume":"70","author":"H Yi","year":"2008","journal-title":"Proteins"},{"key":"ref24","doi-asserted-by":"crossref","first-page":"2595","DOI":"10.1016\/S0006-3495(02)75270-3","article-title":"Modeling the structure of Agitoxin in complex with the Shaker K<sup>+<\/sup> channel: A computational approach based on experimental distance restraints extracted from thermodynamic mutant cycles","volume":"83","author":"MAL Eriksson","year":"2002","journal-title":"Biophys J"},{"key":"ref25","doi-asserted-by":"crossref","first-page":"3118","DOI":"10.1021\/pr100027k","article-title":"Protein-protein recognition control by modulating electrostatic interactions","volume":"9","author":"S Han","year":"2010","journal-title":"J Proteome Res"},{"key":"ref26","doi-asserted-by":"crossref","first-page":"967","DOI":"10.1021\/bi301498x","article-title":"Conduction and block of inward rectifier K<sup>+<\/sup> channels: predicted structure of a potent blocker of Kir2.1","volume":"52","author":"TA Hilder","year":"2013","journal-title":"Biochemistry"},{"key":"ref27","doi-asserted-by":"crossref","first-page":"3601","DOI":"10.1021\/bi002584n","article-title":"Titration of tertiapin-Q inhibition of ROMK1 channels by extracellular protons","volume":"40","author":"Y Ramu","year":"2001","journal-title":"Biochemistry"},{"key":"ref28","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1002\/jmr.1031","article-title":"Molecular mechanism of delta-dendrotoxin-potassium channel recognition explored by docking and molecular dynamic simulations","volume":"24","author":"L Jin","year":"2011","journal-title":"J Mol Recognit"},{"key":"ref29","doi-asserted-by":"crossref","first-page":"65","DOI":"10.1002\/psc.630","article-title":"Contribution of the functional dyad of animal toxins acting on voltage-gated Kv1-type channels","volume":"11","author":"S Mouhat","year":"2005","journal-title":"J Pept Sci"},{"key":"ref30","doi-asserted-by":"crossref","first-page":"1967","DOI":"10.1021\/ci700178w","article-title":"Molecular mechanism of the sea anemone toxin ShK recognizing the Kv1.3 channel explored by docking and molecular dynamic simulations","volume":"47","author":"L Jin","year":"2007","journal-title":"J Chem Inf Model"},{"key":"ref31","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1529\/biophysj.103.039156","article-title":"Simulation of the interaction between ScyTx and small conductance calcium-activated potassium channel by docking and MM-PBSA","volume":"87","author":"YL Wu","year":"2004","journal-title":"Biophys J"},{"key":"ref32","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1186\/1472-6807-11-3","article-title":"Differential molecular information of maurotoxin peptide recognizing IK<sub>Ca<\/sub> and Kv1.2 channels explored by computational simulation","volume":"11","author":"H Yi","year":"2011","journal-title":"BMC Struct Biol"},{"key":"ref33","doi-asserted-by":"crossref","first-page":"27093","DOI":"10.1074\/jbc.M413626200","article-title":"A variable residue in the pore of Kv1 channels is critical for the high affinity of Blockers from sea anemones and scorpions","volume":"280","author":"B Gilquin","year":"2005","journal-title":"J Biol Chem"}],"container-title":["PLoS ONE"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/dx.plos.org\/10.1371\/journal.pone.0067213","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2018,10,26]],"date-time":"2018-10-26T04:16:58Z","timestamp":1540527418000},"score":1,"resource":{"primary":{"URL":"https:\/\/dx.plos.org\/10.1371\/journal.pone.0067213"}},"subtitle":[],"editor":[{"given":"Claudio M.","family":"Soares","sequence":"first","affiliation":[],"role":[{"role":"editor","vocabulary":"crossref"}]}],"short-title":[],"issued":{"date-parts":[[2013,7,10]]},"references-count":33,"journal-issue":{"issue":"7","published-online":{"date-parts":[[2013,7,10]]}},"URL":"https:\/\/doi.org\/10.1371\/journal.pone.0067213","relation":{},"ISSN":["1932-6203"],"issn-type":[{"value":"1932-6203","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,7,10]]}}}