1e26
From Proteopedia
(New page: 200px<br /> <applet load="1e26" size="450" color="white" frame="true" align="right" spinBox="true" caption="1e26, resolution 2.0Å" /> '''DESIGN, SYNTHESIS AN...) |
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==About this Structure== | ==About this Structure== | ||
| - | 1E26 is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Pneumocystis_carinii Pneumocystis carinii]] with NAP and GPB as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/ ]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3]]. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1E26 OCA]]. | + | 1E26 is a [[http://en.wikipedia.org/wiki/Single_protein Single protein]] structure of sequence from [[http://en.wikipedia.org/wiki/Pneumocystis_carinii Pneumocystis carinii]] with NAP and GPB as [[http://en.wikipedia.org/wiki/ligands ligands]]. Active as [[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase]], with EC number [[http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3]]. Structure known Active Site: S1. Full crystallographic information is available from [[http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1E26 OCA]]. |
==Reference== | ==Reference== | ||
Design, synthesis, and X-ray crystal structure of a potent dual inhibitor of thymidylate synthase and dihydrofolate reductase as an antitumor agent., Gangjee A, Yu J, McGuire JJ, Cody V, Galitsky N, Kisliuk RL, Queener SF, J Med Chem. 2000 Oct 19;43(21):3837-51. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11052789 11052789] | Design, synthesis, and X-ray crystal structure of a potent dual inhibitor of thymidylate synthase and dihydrofolate reductase as an antitumor agent., Gangjee A, Yu J, McGuire JJ, Cody V, Galitsky N, Kisliuk RL, Queener SF, J Med Chem. 2000 Oct 19;43(21):3837-51. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11052789 11052789] | ||
| + | [[Category: Dihydrofolate reductase]] | ||
[[Category: Pneumocystis carinii]] | [[Category: Pneumocystis carinii]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: thymidylate synthase]] | [[Category: thymidylate synthase]] | ||
| - | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Oct 30 12:35:46 2007'' |
Revision as of 10:31, 30 October 2007
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DESIGN, SYNTHESIS AND X-RAY CRYSTAL STRUCTURE OF A POTENT DUAL INHIBITOR OF THYMIDYLATE SYNTHASE AND DIHYDROFOLATE REDUCTASE AS AN ANTITUMOR AGENT.
Overview
A novel N- inverted question mark2-amino-4-methyl[(pyrrolo[2, 3-d]pyrimidin-5-yl)ethyl]benzoyl inverted question mark-L-glutamic acid, (3a) was designed and synthesized as a potent dual inhibitor of, thymidylate synthase (TS) and dihydrofolate reductase (DHFR) and as an, antitumor agent. Compound 3b, the N7-benzylated analogue of 3a, was also, synthesized as an antitumor agent. The synthesis of 3a was accomplished, via a 12-step sequence which involved the synthesis of, 2-amino-4-methylpyrrolo[2,3-d]pyrimidine (10) in 5 steps from, 2-acetylbutyrolactone. Protection of the 2-amino group of 10 and, regioselective iodination at the 5-position followed by, palladium-catalyzed coupling afforded intermediate 14 which was converted, to 3a by reduction and saponification. Similar synthetic ... [(full description)]
About this Structure
1E26 is a [Single protein] structure of sequence from [Pneumocystis carinii] with NAP and GPB as [ligands]. Active as [Dihydrofolate reductase], with EC number [1.5.1.3]. Structure known Active Site: S1. Full crystallographic information is available from [OCA].
Reference
Design, synthesis, and X-ray crystal structure of a potent dual inhibitor of thymidylate synthase and dihydrofolate reductase as an antitumor agent., Gangjee A, Yu J, McGuire JJ, Cody V, Galitsky N, Kisliuk RL, Queener SF, J Med Chem. 2000 Oct 19;43(21):3837-51. PMID:11052789
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