{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,6]],"date-time":"2026-09-06T21:52:15Z","timestamp":1788731535692,"version":"build-2803163510"},"reference-count":68,"publisher":"Elsevier BV","issue":"4","license":[{"start":{"date-parts":[[2019,4,1]],"date-time":"2019-04-01T00:00:00Z","timestamp":1554076800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"funder":[{"DOI":"10.13039\/501100002794","name":"Swedish Cancer Society","doi-asserted-by":"publisher","award":["CAN 2015\/387"],"award-info":[{"award-number":["CAN 2015\/387"]}],"id":[{"id":"10.13039\/501100002794","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003173","name":"Crafoord Foundation","doi-asserted-by":"publisher","award":["20160653"],"award-info":[{"award-number":["20160653"]}],"id":[{"id":"10.13039\/501100003173","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Biochimica et Biophysica Acta (BBA) - General Subjects"],"published-print":{"date-parts":[[2019,4]]},"DOI":"10.1016\/j.bbagen.2019.01.011","type":"journal-article","created":{"date-parts":[[2019,1,24]],"date-time":"2019-01-24T12:47:04Z","timestamp":1548334024000},"page":"732-741","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":30,"title":["The catalytic activity of Abl1 single and compound mutations: Implications for the mechanism of drug resistance mutations in chronic myeloid leukaemia"],"prefix":"10.1016","volume":"1863","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4573-8052","authenticated-orcid":false,"given":"Panagiota S.","family":"Georgoulia","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9871-413X","authenticated-orcid":false,"given":"Guido","family":"Todde","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9300-614X","authenticated-orcid":false,"given":"Sinisa","family":"Bjelic","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8696-3104","authenticated-orcid":false,"given":"Ran","family":"Friedman","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bbagen.2019.01.011_bb0005","doi-asserted-by":"crossref","first-page":"18141","DOI":"10.1074\/jbc.274.26.18141","article-title":"Signaling pathways activated by oncogenic forms of Abl tyrosine kinase","volume":"274","author":"Zou","year":"1999","journal-title":"J. Biol. Chem."},{"issue":"1","key":"10.1016\/j.bbagen.2019.01.011_bb0010","first-page":"163","article-title":"Therapeutic options for chronic myeloid leukemia: focus on imatinib (Glivec\u00ae, Gleevec\u2122)","volume":"4","author":"Henkes","year":"2008","journal-title":"Ther. Clin. Risk Manag."},{"issue":"1","key":"10.1016\/j.bbagen.2019.01.011_bb0015","doi-asserted-by":"crossref","first-page":"28","DOI":"10.1038\/nrc2559","article-title":"Targeting cancer with small molecule kinase inhibitors","volume":"9","author":"Zhang","year":"2009","journal-title":"Nat. Rev. Cancer"},{"issue":"8","key":"10.1016\/j.bbagen.2019.01.011_bb0020","doi-asserted-by":"crossref","first-page":"513","DOI":"10.1038\/nrc3317","article-title":"Pushing the limits of targeted therapy in chronic myeloid leukaemia","volume":"12","author":"O'hare","year":"2012","journal-title":"Nat. Rev. Cancer"},{"issue":"2","key":"10.1016\/j.bbagen.2019.01.011_bb0025","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/S1535-6108(02)00096-X","article-title":"Multiple BCR-ABL kinase domain mutations confer polyclonal resistance to the tyrosine kinase inhibitor imatinib (STI571) in chronic phase and blast crisis chronic myeloid leukemia","volume":"2","author":"Shah","year":"2002","journal-title":"Cancer Cell"},{"issue":"5682","key":"10.1016\/j.bbagen.2019.01.011_bb0030","doi-asserted-by":"crossref","first-page":"399","DOI":"10.1126\/science.1099480","article-title":"Overriding imatinib resistance with a novel ABL kinase inhibitor","volume":"305","author":"Shah","year":"2004","journal-title":"Science"},{"issue":"2","key":"10.1016\/j.bbagen.2019.01.011_bb0035","doi-asserted-by":"crossref","first-page":"129","DOI":"10.1016\/j.ccr.2005.01.007","article-title":"Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl","volume":"7","author":"Weisberg","year":"2005","journal-title":"Cancer Cell"},{"issue":"17","key":"10.1016\/j.bbagen.2019.01.011_bb0040","doi-asserted-by":"crossref","first-page":"4567","DOI":"10.1182\/blood-2011-05-355594","article-title":"Safety and efficacy of bosutinib (ski-606) in chronic phase philadelphia chromosome\u2013positive cml patients with resistance or intolerance to imatinib","volume":"118","author":"Cortes","year":"2011","journal-title":"Blood"},{"issue":"3","key":"10.1016\/j.bbagen.2019.01.011_bb0045","doi-asserted-by":"crossref","first-page":"469","DOI":"10.1200\/JCO.2008.19.8853","article-title":"Activity of bosutinib, dasatinib, and nilotinib against 18 imatinib-resistant BCR\/ABL mutants","volume":"27","author":"Redaelli","year":"2009","journal-title":"J. Clin. Oncol."},{"issue":"5","key":"10.1016\/j.bbagen.2019.01.011_bb0050","doi-asserted-by":"crossref","first-page":"401","DOI":"10.1016\/j.ccr.2009.09.028","article-title":"AP24534, a pan-BCR-ABL inhibitor for chronic myeloid leukemia, potently inhibits the T315I mutant and overcomes mutation-based resistance","volume":"16","author":"O'Hare","year":"2009","journal-title":"Cancer Cell"},{"issue":"7","key":"10.1016\/j.bbagen.2019.01.011_bb0055","doi-asserted-by":"crossref","first-page":"793","DOI":"10.1007\/s40265-014-0216-6","article-title":"Ponatinib: a review of its use in adults with chronic myeloid leukaemia or Philadelphia chromosome-positive acute lymphoblastic leukaemia","volume":"74","author":"Hoy","year":"2014","journal-title":"Drugs"},{"issue":"3","key":"10.1016\/j.bbagen.2019.01.011_bb0060","doi-asserted-by":"crossref","first-page":"428","DOI":"10.1016\/j.ccr.2014.07.006","article-title":"BCR-ABL1 compound mutations combining key kinase domain positions confer clinical resistance to ponatinib in Ph chromosome-positive leukemia","volume":"26","author":"Zabriskie","year":"2014","journal-title":"Cancer Cell"},{"key":"10.1016\/j.bbagen.2019.01.011_bb0065","doi-asserted-by":"crossref","first-page":"8200","DOI":"10.1073\/pnas.84.23.8200","article-title":"Nucleotide sequence of testis-derived c-abl cDNAs: implications for testis-specific transcription and abl oncogene activation","volume":"84","author":"Oppi","year":"1987","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0070","doi-asserted-by":"crossref","first-page":"488","DOI":"10.1073\/pnas.82.2.488","article-title":"Rapid and efficient site-specific mutagenesis without phenotypic selection","volume":"82","author":"Kunkel","year":"1985","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0075","doi-asserted-by":"crossref","first-page":"3135","DOI":"10.1110\/ps.051750905","article-title":"High yield bacterial expression of active c-Abl and c-Src tyrosine kinases","volume":"14","author":"Seeliger","year":"2005","journal-title":"Protein Sci."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0080","doi-asserted-by":"crossref","first-page":"45","DOI":"10.1093\/nar\/28.1.45","article-title":"The SWISS-PROT protein sequence database and its supplement trembl in 2000","volume":"28","author":"Bairoch","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0085","doi-asserted-by":"crossref","first-page":"276","DOI":"10.1016\/S0168-9525(00)02024-2","article-title":"EMBOSS: the European molecular biology open software suite","volume":"16","author":"Rice","year":"2000","journal-title":"Trends Genet."},{"issue":"14","key":"10.1016\/j.bbagen.2019.01.011_bb0090","doi-asserted-by":"crossref","first-page":"3059","DOI":"10.1093\/nar\/gkf436","article-title":"MAFFT: a novel method for rapid multiple sequence alignment based on fast Fourier transform","volume":"30","author":"Katoh","year":"2002","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0095","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/0010-4655(95)00042-E","article-title":"Gromacs-a message-passing parallel molecular-dynamics implementation","volume":"91","author":"Berendsen","year":"1995","journal-title":"Comput. Phys. Commun."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0100","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1002\/jcc.20291","article-title":"GROMACS: fast, flexible, and free","volume":"26","author":"van der Spoel","year":"2005","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0105","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","article-title":"The protein data bank","volume":"28","author":"Berman","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0110","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1107\/S0907444906047287","article-title":"Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia","volume":"63","author":"Cowan-Jacob","year":"2007","journal-title":"Acta Cryst. D"},{"issue":"5","key":"10.1016\/j.bbagen.2019.01.011_bb0115","doi-asserted-by":"crossref","first-page":"e144","DOI":"10.1371\/journal.pbio.0040144","article-title":"A Src-like inactive conformation in the Abl tyrosine kinase domain","volume":"4","author":"Levinson","year":"2006","journal-title":"PLoS Biol."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0120","doi-asserted-by":"crossref","first-page":"3586","DOI":"10.1021\/jp973084f","article-title":"All-Atoms empirical potential for molecular modeling and dynamics studies of proteins","volume":"102","author":"MacKerell","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"10.1016\/j.bbagen.2019.01.011_bb0125","doi-asserted-by":"crossref","first-page":"1400","DOI":"10.1002\/jcc.20065","article-title":"Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molucular dynamics simulations","volume":"25","author":"MacKerell","year":"2004","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0130","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison of simple potential funtions for simulating liquid water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0135","doi-asserted-by":"crossref","DOI":"10.1063\/1.2408420","article-title":"Canonical sampling through velocity-rescaling","volume":"126","author":"Bussi","year":"2007","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0140","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","article-title":"Molecular dynamics with coupling to an external bath","volume":"81","author":"Berendsen","year":"1984","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0145","doi-asserted-by":"crossref","first-page":"7182","DOI":"10.1063\/1.328693","article-title":"Polymorphic transitions in single crystals: a new molecular dynamics method","volume":"52","author":"Parrinello","year":"1981","journal-title":"J. Appl. Phys."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0150","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","article-title":"Particle Mesh Ewald: an N\u2219log(N) method ofr Ewald Sums in large systems","volume":"98","author":"Darden","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0155","doi-asserted-by":"crossref","first-page":"8577","DOI":"10.1063\/1.470117","article-title":"A smooth particle Mesh Ewald Method","volume":"103","author":"Essmann","year":"1995","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0160","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H","article-title":"LINCS: a linear constraint solver for molecular simualtions","volume":"18","author":"Hess","year":"1997","journal-title":"J. Comput. Chem."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0165","doi-asserted-by":"crossref","first-page":"952","DOI":"10.1002\/jcc.540130805","article-title":"SETTLE: an analytical version of the SHAKE and RATTLE algorithms for rigid water models","volume":"13","author":"Miyamoto","year":"1992","journal-title":"J. Comp. Chem."},{"issue":"11","key":"10.1016\/j.bbagen.2019.01.011_bb0170","doi-asserted-by":"crossref","first-page":"2143","DOI":"10.1002\/prot.25368","article-title":"The molecular mechanism behind resistance of the kinase FLT3 to the inhibitor quizartinib","volume":"85","author":"Friedman","year":"2017","journal-title":"Proteins"},{"key":"10.1016\/j.bbagen.2019.01.011_bb0175","doi-asserted-by":"crossref","first-page":"2577","DOI":"10.1002\/bip.360221211","article-title":"Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features","volume":"22","author":"Kabsch","year":"1983","journal-title":"Biopolymers"},{"key":"10.1016\/j.bbagen.2019.01.011_bb0180","doi-asserted-by":"crossref","first-page":"D411","DOI":"10.1093\/nar\/gkq1105","article-title":"A sereis of PDB related databases for everyday needs","volume":"39","author":"Joosten","year":"2011","journal-title":"Nucleic Acids Res."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0185","doi-asserted-by":"crossref","first-page":"773","DOI":"10.1016\/j.jmgm.2010.10.007","article-title":"POVME: an algorithm for measuring binding-pocket volumes","volume":"29","author":"Durrant","year":"2011","journal-title":"J. Mol. Graph. Model"},{"key":"10.1016\/j.bbagen.2019.01.011_bb0190","doi-asserted-by":"crossref","first-page":"5047","DOI":"10.1021\/ct500381c","article-title":"POVME 2.0: an enhanced tool for determining pocket shape and volume characteristics","volume":"10","author":"Durrant","year":"2014","journal-title":"J. Chem. Theory Comput."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0195","doi-asserted-by":"crossref","first-page":"236","DOI":"10.1002\/(SICI)1521-3773(19990115)38:1\/2<236::AID-ANIE236>3.0.CO;2-M","article-title":"Peptide folding: when simulations meets experiment","volume":"38","author":"Daura","year":"1999","journal-title":"Angew. Chem. Int. Ed."},{"issue":"D1","key":"10.1016\/j.bbagen.2019.01.011_bb0205","doi-asserted-by":"crossref","first-page":"D777","DOI":"10.1093\/nar\/gkw1121","article-title":"COSMIC: somatic cancer genetics at high-resolution","volume":"45","author":"Forbes","year":"2017","journal-title":"Nucleic Acids Res."},{"issue":"16","key":"10.1016\/j.bbagen.2019.01.011_bb0210","doi-asserted-by":"crossref","first-page":"6082","DOI":"10.1128\/MCB.02202-05","article-title":"Kinase domain mutants of Bcr-Abl exhibit altered transformation potency, kinase activity, and substrate utilization, irrespective of sensitivity to imatinib","volume":"26","author":"Griswold","year":"2006","journal-title":"Mol. Cell. Biol."},{"issue":"51","key":"10.1016\/j.bbagen.2019.01.011_bb0215","doi-asserted-by":"crossref","first-page":"19466","DOI":"10.1073\/pnas.0609239103","article-title":"Phosphorylation of the atp-binding loop directs oncogenicity of drug-resistant BCR-ABL mutants","volume":"103","author":"Skaggs","year":"2006","journal-title":"Proc. Natl. Acad. Sci."},{"issue":"8","key":"10.1016\/j.bbagen.2019.01.011_bb0220","doi-asserted-by":"crossref","first-page":"5443","DOI":"10.1074\/jbc.R112.438382","article-title":"Structure and dynamic regulation of Abl kinases","volume":"288","author":"Panjarian","year":"2013","journal-title":"J. Biol. Chem."},{"issue":"10","key":"10.1016\/j.bbagen.2019.01.011_bb0225","doi-asserted-by":"crossref","first-page":"1109","DOI":"10.1038\/nsmb.1486","article-title":"Activation of tyrosine kinases by mutation of the gatekeeper threonine","volume":"15","author":"Azam","year":"2008","journal-title":"Nat. Struct. Mol. Biol."},{"issue":"6","key":"10.1016\/j.bbagen.2019.01.011_bb0230","doi-asserted-by":"crossref","first-page":"2070","DOI":"10.1073\/pnas.0709662105","article-title":"The T790M mutation in EGFR kinase causes drug resistance by increasing the affinity for ATP","volume":"105","author":"Yun","year":"2008","journal-title":"Proc. Natl. Acad. Sci."},{"issue":"2","key":"10.1016\/j.bbagen.2019.01.011_bb0235","doi-asserted-by":"crossref","first-page":"153","DOI":"10.1517\/13543784.2011.546344","article-title":"Mechanisms of drug resistance in kinases","volume":"20","author":"Barouch-Bentov","year":"2011","journal-title":"Expert Opin. Investig. Drugs"},{"issue":"4","key":"10.1016\/j.bbagen.2019.01.011_bb0240","doi-asserted-by":"crossref","first-page":"295","DOI":"10.3109\/10409238.2011.578612","article-title":"Molecular mechanisms of drug resistance in tyrosine kinases cAbl and cKit","volume":"46","author":"DiNitto","year":"2011","journal-title":"Crit. Rev. Biochem. Mol. Biol."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0245","doi-asserted-by":"crossref","first-page":"11746","DOI":"10.18632\/oncotarget.7459","article-title":"Drug resistance in cancer: molecular evolution and compensatory proliferation","volume":"7","author":"Friedman","year":"2016","journal-title":"Oncotarget"},{"key":"10.1016\/j.bbagen.2019.01.011_bb0250","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1111\/j.1747-0285.2007.00556.x","article-title":"Crystal structure of the T315I mutant of AbI kinase","volume":"70","author":"Zhou","year":"2007","journal-title":"Chem. Biol. Drug Des."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0255","doi-asserted-by":"crossref","first-page":"415","DOI":"10.1042\/BJ20110369","article-title":"Aggregation of amyloids in a cellular context: modelling and experiment","volume":"438","author":"Friedman","year":"2011","journal-title":"Biochem. J."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0260","first-page":"1","article-title":"Molecular modelling and simulations in cancer research","volume":"1836","author":"Friedman","year":"2013","journal-title":"Biochim. Biophys. Acta"},{"issue":"9","key":"10.1016\/j.bbagen.2019.01.011_bb0265","doi-asserted-by":"crossref","first-page":"2376","DOI":"10.1021\/ci400188q","article-title":"Insight into crizotinib resistance mechanisms caused by three mutations in ALK tyrosine kinase using free energy calculation approaches","volume":"53","author":"Sun","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0270","doi-asserted-by":"crossref","first-page":"29871","DOI":"10.1039\/C7RA04099G","article-title":"A molecular dynamics simulation study for variant drug responses due to FMS-like tyrosine kinase 3 G697R mutation","volume":"7","author":"Lee","year":"2017","journal-title":"RSC Adv."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0275","doi-asserted-by":"crossref","first-page":"870","DOI":"10.1002\/pro.3135","article-title":"Palbociclib can overcome mutations in cyclin dependent kinase 6 that break hydrogen bonds between the drug and the protein","volume":"26","author":"Maganhi Hernandez","year":"2017","journal-title":"Protein Sci."},{"issue":"1","key":"10.1016\/j.bbagen.2019.01.011_bb0280","doi-asserted-by":"crossref","first-page":"88","DOI":"10.1186\/s12859-018-2093-6","article-title":"Prediction of sensitivity to gefitinib\/erlotinib for EGFR mutations in NSCLC based on structural interaction fingerprints and multilinear principal component analysis","volume":"19","author":"Zou","year":"2018","journal-title":"BMC Bioinforma."},{"issue":"7","key":"10.1016\/j.bbagen.2019.01.011_bb0285","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pcbi.1003729","article-title":"P-loop conformation governed crizotinib resistance in G2032R-mutated ROS1 tyrosine kinase: clues from free energy landscape","volume":"10","author":"Sun","year":"2014","journal-title":"PLoS Comput. Biol."},{"issue":"4","key":"10.1016\/j.bbagen.2019.01.011_bb0290","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1007\/s00894-017-3314-z","article-title":"Gaining insight into crizotinib resistance mechanisms caused by L2026M and G2032R mutations in ROS1 via molecular dynamics simulations and free-energy calculations","volume":"23","author":"Wu","year":"2017","journal-title":"J. Mol. Model."},{"issue":"4","key":"10.1016\/j.bbagen.2019.01.011_bb0295","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1002\/bip.20656","article-title":"In silico profiling of tyrosine kinases binding specificity and drug resistance using Monte Carlo simulations with the ensembles of protein kinase crystal structures","volume":"85","author":"Verkhivker","year":"2007","journal-title":"Biopolymers"},{"issue":"8","key":"10.1016\/j.bbagen.2019.01.011_bb0300","doi-asserted-by":"crossref","first-page":"1744","DOI":"10.1002\/cncr.23355","article-title":"Molecular basis explanation for imatinib resistance of BCR-ABL due to T315I and P-loop mutations from molecular dynamics simulations","volume":"112","author":"Lee","year":"2008","journal-title":"Cancer"},{"issue":"6","key":"10.1016\/j.bbagen.2019.01.011_bb0305","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0130203","article-title":"Molecular determinants underlying binding specificities of the ABL kinase inhibitors: combining alanine scanning of binding hot spots with network analysis of residue interactions and coevolution","volume":"10","author":"Tse","year":"2015","journal-title":"PLoS One"},{"issue":"33","key":"10.1016\/j.bbagen.2019.01.011_bb0310","doi-asserted-by":"crossref","first-page":"22444","DOI":"10.1039\/C7CP03443A","article-title":"The opening\/closure of the P-loop and hinge of BCR-ABL1 decodes the low\/high bioactivities of dasatinib and axitinib","volume":"19","author":"Wang","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"11","key":"10.1016\/j.bbagen.2019.01.011_bb0315","doi-asserted-by":"crossref","first-page":"5790","DOI":"10.1158\/0008-5472.CAN-05-4187","article-title":"The structure of dasatinib (BMS-354825) bound to activated ABL kinase domain elucidates its inhibitory activity against imatinib-resistant ABL mutants","volume":"66","author":"Tokarski","year":"2006","journal-title":"Cancer Res."},{"issue":"11","key":"10.1016\/j.bbagen.2019.01.011_bb0320","doi-asserted-by":"crossref","first-page":"102","DOI":"10.1038\/nature14119","article-title":"Axitinib effectively inhibits BCR-ABL1(T315I) with a distinct binding conformation","volume":"519","author":"Pemovska","year":"2015","journal-title":"Nature"},{"issue":"5","key":"10.1016\/j.bbagen.2019.01.011_bb0325","doi-asserted-by":"crossref","first-page":"e29828","DOI":"10.1371\/journal.pone.0029828","article-title":"Structural and spectroscopic analysis of the kinase inhibitor bosutinib and an isomer of bosutinib binding to the abl tyrosine kinase domain","volume":"7","author":"Levinson","year":"2012","journal-title":"PLoS One"},{"issue":"5","key":"10.1016\/j.bbagen.2019.01.011_bb0330","doi-asserted-by":"crossref","first-page":"2721","DOI":"10.1021\/acs.jctc.7b01170","article-title":"Predicting the conformational variability of Abl tyrosine kinase using molecular dynamics simulations and markov state models","volume":"14","author":"Meng","year":"2018","journal-title":"J. Chem. Theory Comput."},{"key":"10.1016\/j.bbagen.2019.01.011_bb0335","unstructured":"P. Kyomuhendo, D. Narayanan, R. A. Engh, VX-680\/MK-0457 Binds Also to Human ABL1 with Inactive DFG Conformations, (to be published)."},{"issue":"4154","key":"10.1016\/j.bbagen.2019.01.011_bb0340","doi-asserted-by":"crossref","first-page":"862","DOI":"10.1126\/science.185.4154.862","article-title":"Amino acid difference formula to help explain protein evolution","volume":"185","author":"Grantham","year":"1974","journal-title":"Science"},{"issue":"11","key":"10.1016\/j.bbagen.2019.01.011_bb0345","doi-asserted-by":"crossref","DOI":"10.1371\/journal.pone.0078556","article-title":"Ponatinib is a Pan-BCR-ABL kinase inhibitor: MD simulations and SIE study","volume":"8","author":"Tanneeru","year":"2013","journal-title":"PLoS One"}],"container-title":["Biochimica et Biophysica Acta (BBA) - General Subjects"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0304416519300170?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S0304416519300170?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2019,8,7]],"date-time":"2019-08-07T19:44:24Z","timestamp":1565207064000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S0304416519300170"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,4]]},"references-count":68,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2019,4]]}},"alternative-id":["S0304416519300170"],"URL":"https:\/\/doi.org\/10.1016\/j.bbagen.2019.01.011","relation":{},"ISSN":["0304-4165"],"issn-type":[{"value":"0304-4165","type":"print"}],"subject":[],"published":{"date-parts":[[2019,4]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"The catalytic activity of Abl1 single and compound mutations: Implications for the mechanism of drug resistance mutations in chronic myeloid leukaemia","name":"articletitle","label":"Article Title"},{"value":"Biochimica et Biophysica Acta (BBA) - General Subjects","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bbagen.2019.01.011","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2019 Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}]}}