1ULA
APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS
Replaces: 2PNPSummary for 1ULA
| Entry DOI | 10.2210/pdb1ula/pdb |
| Descriptor | PURINE NUCLEOSIDE PHOSPHORYLASE, SULFATE ION (2 entities in total) |
| Functional Keywords | pentosyltransferase |
| Biological source | Homo sapiens (human) |
| Cellular location | Cytoplasm, cytoskeleton (By similarity): P00491 |
| Total number of polymer chains | 1 |
| Total formula weight | 32377.00 |
| Authors | 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. (deposition date: 1991-11-05, release date: 1993-01-15, Last modification date: 2024-02-14) |
| Primary citation | 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 Cited by 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: 1763067DOI: 10.1073/pnas.88.24.11540 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.75 Å) |
Structure validation
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