1x7a
From Proteopedia
(New page: 200px<br /><applet load="1x7a" size="450" color="white" frame="true" align="right" spinBox="true" caption="1x7a, resolution 2.90Å" /> '''Porcine Factor IXa C...) |
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| - | [[Image:1x7a.gif|left|200px]]<br /><applet load="1x7a" size=" | + | [[Image:1x7a.gif|left|200px]]<br /><applet load="1x7a" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1x7a, resolution 2.90Å" /> | caption="1x7a, resolution 2.90Å" /> | ||
'''Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide'''<br /> | '''Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide'''<br /> | ||
==Overview== | ==Overview== | ||
| - | Modifications to the P4 moiety and pyrazole C3 substituent of factor Xa | + | Modifications to the P4 moiety and pyrazole C3 substituent of factor Xa inhibitor SN-429 provided several new compounds, which are 5-10nM inhibitors of factor IXa. An X-ray crystal structure of one example complexed to factor IXa shows that these compounds adopt a similar binding mode to that previously observed with pyrazole inhibitors in the factor Xa active site both with regard to how the inhibitor binds and the position of Tyr99. |
==About this Structure== | ==About this Structure== | ||
| - | 1X7A is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with 187 as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Coagulation_factor_IXa Coagulation factor IXa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.22 3.4.21.22] Full crystallographic information is available from [http:// | + | 1X7A is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with <scene name='pdbligand=187:'>187</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [http://en.wikipedia.org/wiki/Coagulation_factor_IXa Coagulation factor IXa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.22 3.4.21.22] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1X7A OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Sus scrofa]] | [[Category: Sus scrofa]] | ||
| - | [[Category: Alexander, R | + | [[Category: Alexander, R S.]] |
[[Category: Barbera, F.]] | [[Category: Barbera, F.]] | ||
[[Category: Burdick, D.]] | [[Category: Burdick, D.]] | ||
| - | [[Category: Luettgen, J | + | [[Category: Luettgen, J M.]] |
[[Category: Nakajima, S.]] | [[Category: Nakajima, S.]] | ||
| - | [[Category: Rossi, K | + | [[Category: Rossi, K A.]] |
| - | [[Category: Smallheer, J | + | [[Category: Smallheer, J M.]] |
| - | [[Category: Smallwood, A | + | [[Category: Smallwood, A M.]] |
[[Category: Wang, J.]] | [[Category: Wang, J.]] | ||
[[Category: Wang, S.]] | [[Category: Wang, S.]] | ||
| Line 27: | Line 27: | ||
[[Category: inhibition; x-ray structure]] | [[Category: inhibition; x-ray structure]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:51:45 2008'' |
Revision as of 13:51, 21 February 2008
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Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
Overview
Modifications to the P4 moiety and pyrazole C3 substituent of factor Xa inhibitor SN-429 provided several new compounds, which are 5-10nM inhibitors of factor IXa. An X-ray crystal structure of one example complexed to factor IXa shows that these compounds adopt a similar binding mode to that previously observed with pyrazole inhibitors in the factor Xa active site both with regard to how the inhibitor binds and the position of Tyr99.
About this Structure
1X7A is a Protein complex structure of sequences from Sus scrofa with as ligand. Active as Coagulation factor IXa, with EC number 3.4.21.22 Full crystallographic information is available from OCA.
Reference
SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa., Smallheer JM, Alexander RS, Wang J, Wang S, Nakajima S, Rossi KA, Smallwood A, Barbera F, Burdick D, Luettgen JM, Knabb RM, Wexler RR, Jadhav PK, Bioorg Med Chem Lett. 2004 Nov 1;14(21):5263-7. PMID:15454208
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