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Article

Molecular dynamic investigations of the mutational effects on structural characteristics and tunnel geometry in CYP17A1.

Journal of chemical information and modeling - 23 Dec 2013

Cui Ying-Lu, Zheng Qing-Chuan, Zhang Ji-Long, Xue Qiao, Wang Yan, Zhang Hong-Xing

Abstract excerpt

Cytochrome P450 (CYP) 17A1 is a dual-function monooxygenase with a critical role in the synthesis of many human steroid hormones. The enzyme is an important target for the treatment of breast and prostate cancers that proliferate in response to estrogens and androgens. Despite the ample experimental mutagenesis data, the molecular origin and the structural motifs for the enzymatic activities deficiencies have not...

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PMID: 24205838
DOI: 10.1021/ci400553w

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

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