1ULB

APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS

1ULB の概要

• エントリーDOI: 10.2210/pdb1ulb/pdb
• 分子名称: PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION, GUANINE (3 entities in total)
• 機能のキーワード: pentosyltransferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm, cytoskeleton (By similarity): P00491
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32528.13

構造登録者

Ealick, S.E.,Rule, S.A.,Carter, D.C.,Greenhough, T.J.,Babu, Y.S.,Cook, W.J.,Habash, J.,Helliwell, J.R.,Stoeckler, J.D.,Parksjunior, R.E.,Chen, S.-F.,Bugg, C.E. (登録日: 1991-11-05, 公開日: 1993-01-15, 最終更新日: 2024-02-14)

主引用文献

Ealick, S.E.,Babu, Y.S.,Bugg, C.E.,Erion, M.D.,Guida, W.C.,Montgomery, J.A.,Secrist 3rd., J.A.
Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors.
Proc.Natl.Acad.Sci.USA, 88:11540-11544, 1991

PubMed Abstract: Competitive inhibitors of the salvage pathway enzyme purine-nucleoside phosphorylase (purine-nucleoside:orthophosphate ribosyltransferase, EC 2.4.2.1) have been designed by using the three-dimensional structure of the enzyme as determined by x-ray crystallography. The process was an iterative one that utilized interactive computer graphics, Monte Carlo-based conformational searching, energy minimization, and x-ray crystallography. The proposed compounds were synthesized and tested by an in vitro assay. Among the compounds designed and synthesized are the most potent competitive inhibitors of purine nucleoside phosphorylase thus far reported.

PubMed: 1763067
DOI: 10.1073/pnas.88.24.11540

実験手法

X-RAY DIFFRACTION (2.75 Å)