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Structure paper

TitleTargeting Conformational Flexibility of a Reactive Intermediate to Enhance Selectivity of a GABA Aminotransferase Inactivator.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 148, Page 8736-8748, Year 2026
Publish dateSep 2, 2025 (structure data deposition date)
AuthorsKang, K.M. / Vargas, A.L. / Ferreira, L.A. / Des Soye, B.J. / Corrigan, M. / Zhang, C.K. / Wang, F. / Duan, D. / Kelleher, N.L. / Hohmann, A.G. ...Kang, K.M. / Vargas, A.L. / Ferreira, L.A. / Des Soye, B.J. / Corrigan, M. / Zhang, C.K. / Wang, F. / Duan, D. / Kelleher, N.L. / Hohmann, A.G. / Liu, D. / Silverman, R.B.
External linksJ. Am. Chem. Soc. / PubMed:41711325
MethodsX-ray diffraction
Resolution1.73 - 2.15 Å
Structure data

PDB-9y3k:
Crystal Structure of Human Ornithine Aminotransferase Pre-Inactivated by CPP115 (Tight Binding)
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-9y3m:
Crystal Structure of Human Ornithine Aminotransferase Pre-inactivated by CPP115 (Covalent Inactivation)
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-9y53:
Crystal Structure of Human Ornithine Aminotransferase Soaked with CPP115
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-RW2:
(1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid

ChemComp-HOH:
WATER

PDB-1cr8:
LOW DENSITY LIPOPROTEIN RECEPTOR-RELATED PROTEIN COMPLEMENT REPEAT 8

PDB-1csf:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Mechanism based inactivator / aminotransferase

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