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One mutant form of MPC1, L36I, was also processed. These were submitted to PyDock to generate best candidate MPC1\/2 heterodimer models that were used for ligand docking analyses with AutoDock Vina and \u201cRosetta Online Server that Includes Everyone\u201d (ROSIE). Multiple binding sites for pyruvate and both drugs were found on both MPC1 and MPC2 subunits with drugs having nearly double the affinity in each case except the intermediate and open-in states for the L36I mutant transporter.<\/jats:p>","DOI":"10.4018\/ijkdb.2017070103","type":"journal-article","created":{"date-parts":[[2017,10,16]],"date-time":"2017-10-16T10:36:17Z","timestamp":1508150177000},"page":"43-67","source":"Crossref","is-referenced-by-count":7,"title":["MSDC-0160 and MSDC-0602 Binding with Human Mitochondrial Pyruvate Carrier (MPC) 1 and 2 Heterodimer"],"prefix":"10.4018","volume":"7","author":[{"given":"Clyde F.","family":"Phelix","sequence":"first","affiliation":[{"name":"University of Texas at San Antonio, San Antonio, Texas, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Allen K","family":"Bourdon","sequence":"additional","affiliation":[{"name":"University of Tennessee at Knoxville, Knoxville, Tennessee, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jason L","family":"Dugan","sequence":"additional","affiliation":[{"name":"University of Texas at San Antonio, San Antonio, Texas, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Greg","family":"Villareal","sequence":"additional","affiliation":[{"name":"AL Phahelix Biometrics, Inc., San Antonio, Texas, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"George","family":"Perry","sequence":"additional","affiliation":[{"name":"University of Texas at San Antonio, San Antonio, Texas, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"2432","reference":[{"key":"IJKDB.2017070103-0","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gku989"},{"key":"IJKDB.2017070103-1","doi-asserted-by":"publisher","DOI":"10.15252\/embj.201490197"},{"key":"IJKDB.2017070103-2","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-2952(00)00368-3"},{"key":"IJKDB.2017070103-3","doi-asserted-by":"publisher","DOI":"10.1016\/S0014-827X(98)00017-2"},{"key":"IJKDB.2017070103-4","doi-asserted-by":"publisher","DOI":"10.1126\/science.1218099"},{"key":"IJKDB.2017070103-5","doi-asserted-by":"publisher","DOI":"10.1126\/scitranslmed.3003310"},{"key":"IJKDB.2017070103-6","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M112.363960"},{"key":"IJKDB.2017070103-7","doi-asserted-by":"publisher","DOI":"10.1021\/ct7000842"},{"key":"IJKDB.2017070103-8","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2009.04.020"},{"key":"IJKDB.2017070103-9","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0061551"},{"key":"IJKDB.2017070103-10","doi-asserted-by":"publisher","DOI":"10.1038\/clpt.2013.10"},{"key":"IJKDB.2017070103-11","doi-asserted-by":"publisher","DOI":"10.1038\/nprot.2013.074"},{"key":"IJKDB.2017070103-12","doi-asserted-by":"publisher","DOI":"10.1016\/j.molcel.2015.06.035"},{"key":"IJKDB.2017070103-13","doi-asserted-by":"publisher","DOI":"10.1016\/j.ijbiomac.2014.12.019"},{"key":"IJKDB.2017070103-14","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0117973"},{"key":"IJKDB.2017070103-15","doi-asserted-by":"publisher","DOI":"10.1038\/nature09406"},{"key":"IJKDB.2017070103-16","doi-asserted-by":"publisher","DOI":"10.1021\/jm3013272"},{"key":"IJKDB.2017070103-17","first-page":"37","article-title":"Regulation of pyruvate metabolism in mammalian tissues.","volume":"15","author":"R. 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