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In this study, three novel PET hydrolases TbPETase, AbPETase, and AfPETase were identified from Thermoanaerobacterales, Acidimicrobiales, and Actinokineospora fastidiosa, respectively. Among these, TbPETase exhibited the highest enzymatic activity and thermostability. Based on structural analysis, we performed semirational truncations targeting the intrinsically disordered N- and C-terminal regions of TbPETase, generating two improved variants \u0394N36 and \u0394C4. The double mutant, TbPETase\u0394N36\/\u0394C4, demonstrated a 2.3-fold increase in overall enzymatic activity and a 2.6-fold improvement in catalytic efficiency (kcat\/Km) compared to the wild-type enzyme, along with significantly enhanced thermal stability. Molecular dynamics simulations revealed that the removal of flexible terminal regions increased the overall structural rigidity of TbPETase\u0394N36\/\u0394C4. This structural stabilization was associated with the formation of a hydrogen bond at T215 and a \u03c0\u2212\u03c0 stacking interaction at W193. In a 100 mL one-pot reaction system, the combination of TbPETase\u0394N36\/\u0394C4 with an engineered BMHETase variant, BMHETase6M, achieved 81.2% degradation of semicrystalline PET powder at 60 \u00b0C over 60 h, yielding terephthalic acid as the major product. These findings demonstrate the potential of TbPETase\u0394N36\/\u0394C4 as a highly efficient and industrially applicable biocatalyst for PET degradation.<\/jats:p>","DOI":"10.1021\/acssynbio.5c00682","type":"journal-article","created":{"date-parts":[[2026,8,4]],"date-time":"2026-08-04T14:02:22Z","timestamp":1785852142000},"page":"3553-3565","source":"Crossref","is-referenced-by-count":0,"title":["Structure-Guided Terminal Modifications Enhance the Efficiency of PET Degradation"],"prefix":"10.1021","volume":"15","author":[{"given":"Lin","family":"Zhang","sequence":"first","affiliation":[{"name":"Nanyang Normal University , , ,","place":["Nanyang, P. R. China, 473061"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Keyan","family":"Chen","sequence":"additional","affiliation":[{"name":"Nanyang Normal University , , ,","place":["Nanyang, P. R. 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China, 473061"]},{"name":"Universiti Kebangsaan Malaysia , , , ,","place":["Bangi, Selangor, Malaysia, 43600"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wan Syaidatul","family":"Aqma","sequence":"additional","affiliation":[{"name":"Universiti Kebangsaan Malaysia , , , ,","place":["Bangi, Selangor, Malaysia, 43600"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhiguo","family":"Guo","sequence":"additional","affiliation":[{"name":"Xinjiang Tianwu Ecological Environmental Protection Co.,Ltd. , ,","place":["Urumqi, P. R. 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