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| - | [[Image:1kye.gif|left|200px]] | + | #REDIRECT [[3liw]] This PDB entry is obsolete and replaced by 3liw |
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| - | {{STRUCTURE_1kye| PDB=1kye | SCENE= }}
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| - | '''Factor Xa in complex with (R)-2-(3-adamantan-1-yl-ureido)-3-(3-carbamimidoyl-phenyl)-N-phenethyl-propionamide'''
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| - | ==Overview==
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| - | A putative non-substrate like binding mode of (R)-3-amidinophenylalanine derivatives to factor Xa, as derived from modeling experiments based on X-ray analysis of their complexes with trypsin, was used to design a new generation of inhibitors. However, the resulting inhibitory potencies were not at all consistent with the working assumption, although with an adamantyl-ureido derivative of (R)-3-amidinophenylalanine phenetyl amide a highly selective nanomolar inhibition of factor Xa was achieved. The X-ray analysis of the complex of this ligand with factor Xa revealed an unexpected new binding mode, of which the most important feature is the interaction of the C-terminal aryl moiety with a hydrophobic subregion of the S1 subsite, while the adamantyl group occupies the hydrophobic S3/S4 subsites of the enzyme.
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| - | ==About this Structure==
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| - | 1KYE is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1KYE OCA].
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| - | ==Reference==
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| - | (R)-3-Amidinophenylalanine-derived inhibitors of factor Xa with a novel active-site binding mode., Mueller MM, Sperl S, Sturzebecher J, Bode W, Moroder L, Biol Chem. 2002 Jul-Aug;383(7-8):1185-91. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12437104 12437104]
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| - | [[Category: Coagulation factor Xa]]
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| - | [[Category: Homo sapiens]]
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| - | [[Category: Protein complex]]
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| - | [[Category: Bode, W.]]
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| - | [[Category: Moroder, L.]]
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| - | [[Category: Mueller, M M.]]
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| - | [[Category: Sperl, S.]]
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| - | [[Category: Sturzebecher, J.]]
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| - | [[Category: Coagulation factor inhibitor]]
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| - | [[Category: Factor xa]]
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| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 23:19:28 2008''
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