{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,19]],"date-time":"2025-10-19T06:03:04Z","timestamp":1760853784065},"reference-count":66,"publisher":"American Chemical Society (ACS)","issue":"10","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["ACS Chem. Biol."],"published-print":{"date-parts":[[2014,10,17]]},"DOI":"10.1021\/cb5002203","type":"journal-article","created":{"date-parts":[[2014,8,11]],"date-time":"2014-08-11T16:32:18Z","timestamp":1407774738000},"page":"2432-2440","source":"Crossref","is-referenced-by-count":14,"title":["Computational Studies Support the Role of the C7-Sibirosamine Sugar of the Pyrrolobenzodiazepine (PBD) Sibiromycin in Transcription Factor Inhibition"],"prefix":"10.1021","volume":"9","author":[{"given":"Paul J. M.","family":"Jackson","sequence":"first","affiliation":[{"name":"Institute of Pharmaceutical Science, King\u2019s College London, Britannia House, 7 Trinity Street, London SE1 1DB, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Colin H.","family":"James","sequence":"additional","affiliation":[{"name":"The\rSchool of Pharmacy, University College London, 29\u221239 Brunswick Square, London WC1N 1AX, United Kindgom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Terence C.","family":"Jenkins","sequence":"additional","affiliation":[{"name":"School\rof Science, University of Greenwich, Chatham Maritime, Kent ME4 4TB, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Khondaker M.","family":"Rahman","sequence":"additional","affiliation":[{"name":"Institute of Pharmaceutical Science, King\u2019s College London, Britannia House, 7 Trinity Street, London SE1 1DB, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"David E.","family":"Thurston","sequence":"additional","affiliation":[{"name":"Institute of Pharmaceutical Science, King\u2019s College London, Britannia House, 7 Trinity Street, London SE1 1DB, United Kingdom"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2014,8,11]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"973","DOI":"10.1021\/cb200544u","volume":"7","author":"Yonemoto I. T.","year":"2012","journal-title":"ACS Chem. Biol."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1214","DOI":"10.1021\/cb5002476","volume":"9","author":"Yonemoto I. T.","year":"2014","journal-title":"ACS Chem. Biol."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"2815","DOI":"10.1021\/cr100120f","volume":"111","author":"Antonow D.","year":"2011","journal-title":"Chem. Rev."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"1","DOI":"10.2174\/187152009787047743","volume":"9","author":"Cipolla L.","year":"2009","journal-title":"Anticancer Agents Med. Chem."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"254","DOI":"10.1002\/med.20212","volume":"32","author":"Gerratana B.","year":"2012","journal-title":"Med. Res. Rev."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"733","DOI":"10.1517\/13543784.2011.573477","volume":"20","author":"Hartley J. A.","year":"2011","journal-title":"Expert Opin. Invest. Drugs"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"53","DOI":"10.2174\/138955706775197875","volume":"6","author":"Kamal A.","year":"2006","journal-title":"Mini-Rev. Med. Chem."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"5791","DOI":"10.1021\/ja00952a050","volume":"87","author":"Leimgruber W.","year":"1965","journal-title":"J. Am. Chem. Soc."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"258","DOI":"10.1021\/tx00005a002","volume":"1","author":"Hurley L. H.","year":"1988","journal-title":"Chem. Res. Toxicol."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"1319","DOI":"10.1158\/1535-7163.MCT-07-0475","volume":"7","author":"Kotecha M.","year":"2008","journal-title":"Mol. Cancer Ther."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"9015s","DOI":"10.1158\/1078-0432.CCR-04-1818","volume":"11","author":"Wells G.","year":"2005","journal-title":"Clin. Cancer Res."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"6339","DOI":"10.1021\/jm4001852","volume":"56","author":"Brucoli F.","year":"2013","journal-title":"J. Med. Chem."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"2911","DOI":"10.1021\/jm301882a","volume":"56","author":"Rahman K. M.","year":"2013","journal-title":"J. Med. Chem."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","unstructured":"Mantaj, J., Jackson, P. J. M., Rahman, K. M., and Thurston, D. E. (2013) Interaction of SJG-136 with cognate sequences of oncogenic transcription factors. InAmerican Association of Cancer Research Annual Meeting, Washington, DC.","DOI":"10.1016\/S0959-8049(14)70168-6"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"3671","DOI":"10.1093\/nar\/21.16.3671","volume":"21","author":"Puvvada M. S.","year":"1993","journal-title":"Nucleic Acids Res."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"3283","DOI":"10.1093\/nar\/gki639","volume":"33","author":"Clingen P. H.","year":"2005","journal-title":"Nucleic Acids Res."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"2478","DOI":"10.1021\/bi952490r","volume":"36","author":"Puvvada M. S.","year":"1997","journal-title":"Biochemistry"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"1249","DOI":"10.1021\/bi00354a009","volume":"25","author":"Hertzberg R. P.","year":"1986","journal-title":"Biochemistry"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"3021","DOI":"10.1021\/bi00358a043","volume":"25","author":"Barkley M. D.","year":"1986","journal-title":"Biochemistry"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"6850","DOI":"10.1039\/c2ob25654a","volume":"10","author":"Seifert J.","year":"2012","journal-title":"Org. Biomol Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"8232","DOI":"10.1021\/bi034313t","volume":"42","author":"Smellie M.","year":"2003","journal-title":"Biochemistry"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"13593","DOI":"10.1021\/bi00250a011","volume":"33","author":"Kopka M. L.","year":"1994","journal-title":"Biochemistry"},{"key":"ref23\/cit23","unstructured":"Thurston, D. E. (2006) Chemistry and Pharmacology of Anticancer Drugs; Vol.1, p.281,CRC Press (Taylor & Francis),Boca Raton, FL."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"427","DOI":"10.1021\/ml100131b","volume":"1","author":"Rahman K. M.","year":"2010","journal-title":"ACS Med. Chem. Lett."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"3870","DOI":"10.1016\/j.ejmech.2010.05.041","volume":"45","author":"Kamal A.","year":"2010","journal-title":"Eur. J. Med. Chem."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"2021","DOI":"10.1016\/j.bmc.2005.01.010","volume":"13","author":"Kamal A.","year":"2005","journal-title":"Bioorg. Med. Chem."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"7804","DOI":"10.1016\/j.bmc.2008.06.056","volume":"16","author":"Kamal A.","year":"2008","journal-title":"Bioorg. Med. Chem."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"5131","DOI":"10.1021\/jm991033w","volume":"42","author":"Baraldi P. G.","year":"1999","journal-title":"J. Med. Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"5442","DOI":"10.1021\/jm051199z","volume":"49","author":"Wells G.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"5105","DOI":"10.1016\/S0040-4039(00)80691-7","volume":"29","author":"Farmer J. D.","year":"1988","journal-title":"Tetrahedron Lett."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"737","DOI":"10.1021\/jm001064n","volume":"44","author":"Gregson S. J.","year":"2001","journal-title":"J. Med. Chem."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"3794","DOI":"10.1158\/1078-0432.CCR-10-2056","volume":"17","author":"Puzanov I.","year":"2011","journal-title":"Clin. Cancer Res."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"1557","DOI":"10.1016\/j.bmc.2008.12.068","volume":"17","author":"Kamal A.","year":"2009","journal-title":"Bioorg. Med. Chem."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"54","DOI":"10.1007\/978-1-349-12356-8_3","volume-title":"Molecular Aspects of Anticancer Drug-DNA Interactions","author":"Thurston D. E.","year":"1993"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"4529","DOI":"10.1021\/jm00052a012","volume":"37","author":"Jenkins T. C.","year":"1994","journal-title":"J. Med. Chem."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"4720","DOI":"10.1021\/bi102017e","volume":"50","author":"Hopton S. R.","year":"2011","journal-title":"Biochemistry"},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"1281","DOI":"10.7164\/antibiotics.41.1281","volume":"41","author":"Itoh J.","year":"1988","journal-title":"J. Antibiot (Tokyo)"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"668","DOI":"10.7164\/antibiotics.25.668","volume":"25","author":"Brazhnikova M. G.","year":"1972","journal-title":"J. Antibiot (Tokyo)"},{"key":"ref39\/cit39","first-page":"105","volume":"64","author":"Lubawy W. C.","year":"1980","journal-title":"J. Natl. Cancer Inst."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"983","DOI":"10.1093\/jee\/64.4.983","volume":"64","author":"Borkovec A. B.","year":"1971","journal-title":"J. Econ. Entomol."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"1111","DOI":"10.1021\/bi00508a011","volume":"20","author":"Petrusek R. L.","year":"1981","journal-title":"Biochemistry"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"52","DOI":"10.1023\/A:1016395113085","author":"Hurley L. H.","year":"1984","journal-title":"Pharm. Res."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"3017","DOI":"10.1016\/S0960-894X(97)10083-X","volume":"8","author":"Guiotto A.","year":"1998","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref44\/cit44","first-page":"354","volume":"29","author":"Khokhlov D. N.","year":"1995","journal-title":"Mol. Biol. (Mosk)"},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"8712","DOI":"10.1021\/bi00084a043","volume":"32","author":"Kizu R.","year":"1993","journal-title":"Biochemistry"},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"2387","DOI":"10.1021\/bi00461a024","volume":"29","author":"Boyd F. L.","year":"1990","journal-title":"Biochemistry"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"583","DOI":"10.1021\/jm00398a016","volume":"31","author":"Cheatham S.","year":"1988","journal-title":"J. Med. Chem."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"555","DOI":"10.1211\/146080899128735333","volume":"5","author":"Adams L. J.","year":"1999","journal-title":"Pharm. Pharmacol Commun."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1021\/np50013a007","volume":"44","author":"Malhotra R. K.","year":"1981","journal-title":"J. Nat. Prod."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"11818","DOI":"10.1021\/bi801225q","volume":"47","author":"Antonow D.","year":"2008","journal-title":"Biochemistry"},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1016\/S0022-2836(62)80066-7","volume":"5","author":"Marmur J.","year":"1962","journal-title":"J. Mol. Biol."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"521","DOI":"10.1016\/0005-2787(77)90067-3","volume":"475","author":"Hurley L. H.","year":"1977","journal-title":"Biochim. Biophys. Acta"},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"4529","DOI":"10.1021\/jm00052a012","volume":"37","author":"Jenkins T. C.","year":"1994","journal-title":"J. Med. Chem."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"1219","DOI":"10.1080\/15257770008033045","volume":"19","author":"Baraldi P. G.","year":"2000","journal-title":"Nucleosides Nucleotides Nucleic Acids"},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"3780","DOI":"10.1016\/j.bmcl.2011.04.054","volume":"21","author":"Brucoli F.","year":"2011","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1016\/S1359-6349(10)72233-3","volume":"8","author":"Brucoli F.","year":"2010","journal-title":"EJC Suppl."},{"key":"ref57\/cit57","volume-title":"AMBER 11","author":"Case D. A.","year":"2010"},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"3817","DOI":"10.1529\/biophysj.106.097782","volume":"92","author":"Perez A.","year":"2007","journal-title":"Biophys. J."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"2484","DOI":"10.1021\/jm00162a011","volume":"29","author":"Rao S. N.","year":"1986","journal-title":"J. Med. Chem."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","volume":"23","author":"Ryckaert J.-P.","year":"1977","journal-title":"J. Comput. Phys."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"10722","DOI":"10.1039\/b911702d","volume":"11","author":"Wang H.","year":"2009","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0006-3495(99)77173-0","volume":"76","author":"Fogolari F.","year":"1999","journal-title":"Biophys. J."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"408","DOI":"10.1038\/356408a0","volume":"356","author":"Marmorstein R.","year":"1992","journal-title":"Nature"},{"key":"ref64\/cit64","unstructured":"Schrodinger, L. L. C. (2010) The PyMOL Molecular Graphics System, Version 1.3r1."},{"issue":"33","key":"ref65\/cit65","first-page":"27","volume":"14","author":"Humphrey W.","year":"1996","journal-title":"J. Mol. Graph"},{"key":"ref66\/cit66","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1002\/jcc.20084","volume":"25","author":"Pettersen E. F.","year":"2004","journal-title":"J. Comput. Chem."}],"container-title":["ACS Chemical Biology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/cb5002203","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,16]],"date-time":"2023-04-16T21:27:25Z","timestamp":1681680445000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/cb5002203"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,8,11]]},"references-count":66,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2014,10,17]]}},"alternative-id":["10.1021\/cb5002203"],"URL":"https:\/\/doi.org\/10.1021\/cb5002203","relation":{},"ISSN":["1554-8929","1554-8937"],"issn-type":[{"value":"1554-8929","type":"print"},{"value":"1554-8937","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,8,11]]}}}