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J."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"21463","DOI":"10.1074\/jbc.M412406200","volume":"280","author":"Venkataraman P.","year":"2005","journal-title":"J. Biol. Chem."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"6053","DOI":"10.1021\/bi0028441","volume":"40","author":"Okada A.","year":"2001","journal-title":"Biochemistry"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"6865","DOI":"10.1073\/pnas.0601944103","volume":"103","author":"Hu J.","year":"2006","journal-title":"Proc. Natl. Acad. Sci."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"517","DOI":"10.1016\/0092-8674(92)90452-I","volume":"69","author":"Pinto L. H.","year":"1992","journal-title":"Cell"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"329","DOI":"10.1113\/jphysiol.1996.sp021495","volume":"494","author":"Chizhmakov I. V.","year":"1996","journal-title":"J. Physiol."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"276","DOI":"10.1529\/biophysj.106.102103","volume":"93","author":"Hu J.","year":"2007","journal-title":"Biophys. J."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1016\/S0022-2860(02)00212-0","volume":"615","author":"Mildvan A. S.","year":"2002","journal-title":"J. Mol. Struct."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"748","DOI":"10.1016\/j.sbi.2003.10.008","volume":"13","author":"Kern D.","year":"2003","journal-title":"Curr. Opin. Struct. Biol."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"1207","DOI":"10.1016\/j.jmb.2005.12.015","volume":"356","author":"Klare J. P.","year":"2006","journal-title":"J. Mol. Biol."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"457","DOI":"10.1016\/j.sbi.2006.06.005","volume":"16","author":"Tate C. G.","year":"2006","journal-title":"Curr. Opin. Struct. 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