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2vh0
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(Difference between revisions)
(New page: '''Unreleased structure''' The entry 2vh0 is ON HOLD until Paper Publication Authors: Young, R.J., Borthwick, A.D., Brown, D., Burns-Kurtis, C.L., Campbell, M., Chan, C., Charbaut, M., ...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs== | |
| + | <StructureSection load='2vh0' size='340' side='right'caption='[[2vh0]], [[Resolution|resolution]] 1.70Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[2vh0]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2VH0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2VH0 FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.7Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=GSI:2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-2-OXOPYRROLIDIN-3-YL]ETHANESULFONAMIDE'>GSI</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2vh0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vh0 OCA], [https://pdbe.org/2vh0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2vh0 RCSB], [https://www.ebi.ac.uk/pdbsum/2vh0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2vh0 ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Disease == | ||
| + | [https://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN] Defects in F10 are the cause of factor X deficiency (FA10D) [MIM:[https://omim.org/entry/227600 227600]. A hemorrhagic disease with variable presentation. Affected individuals can manifest prolonged nasal and mucosal hemorrhage, menorrhagia, hematuria, and occasionally hemarthrosis. Some patients do not have clinical bleeding diathesis.<ref>PMID:2790181</ref> <ref>PMID:1973167</ref> <ref>PMID:1985698</ref> <ref>PMID:7669671</ref> <ref>PMID:8529633</ref> <ref>PMID:7860069</ref> <ref>PMID:8845463</ref> <ref>PMID:8910490</ref> <ref>PMID:10468877</ref> <ref>PMID:10746568</ref> <ref>PMID:10739379</ref> <ref>PMID:11248282</ref> <ref>PMID:11728527</ref> <ref>PMID:12945883</ref> <ref>PMID:15650540</ref> <ref>PMID:17393015</ref> <ref>PMID:19135706</ref> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/FA10_HUMAN FA10_HUMAN] Factor Xa is a vitamin K-dependent glycoprotein that converts prothrombin to thrombin in the presence of factor Va, calcium and phospholipid during blood clotting. | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Structure and property based drug design was exploited in the synthesis of sulfonamidopyrrolidin-2-one-based factor Xa (fXa) inhibitors, incorporating basic biaryl P4 groups, producing highly potent inhibitors with significant anticoagulant activities and encouraging oral pharmacokinetic profiles. | ||
| - | + | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.,Young RJ, Borthwick AD, Brown D, Burns-Kurtis CL, Campbell M, Chan C, Charbaut M, Convery MA, Diallo H, Hortense E, Irving WR, Kelly HA, King NP, Kleanthous S, Mason AM, Pateman AJ, Patikis AN, Pinto IL, Pollard DR, Senger S, Shah GP, Toomey JR, Watson NS, Weston HE, Zhou P Bioorg Med Chem Lett. 2008 Jan 1;18(1):28-33. Epub 2007 Nov 13. PMID:18053714<ref>PMID:18053714</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| + | <div class="pdbe-citations 2vh0" style="background-color:#fffaf0;"></div> | ||
| - | + | ==See Also== | |
| - | + | *[[Factor Xa|Factor Xa]] | |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Borthwick AD]] | ||
| + | [[Category: Brown D]] | ||
| + | [[Category: Burns-Kurtis CL]] | ||
| + | [[Category: Campbell M]] | ||
| + | [[Category: Chan C]] | ||
| + | [[Category: Charbaut M]] | ||
| + | [[Category: Convery MA]] | ||
| + | [[Category: Diallo H]] | ||
| + | [[Category: Hortense E]] | ||
| + | [[Category: Irving WR]] | ||
| + | [[Category: Kelly HA]] | ||
| + | [[Category: King NP]] | ||
| + | [[Category: Kleanthous S]] | ||
| + | [[Category: Mason AM]] | ||
| + | [[Category: Pateman AJ]] | ||
| + | [[Category: Patikis A]] | ||
| + | [[Category: Pinto IL]] | ||
| + | [[Category: Pollard DR]] | ||
| + | [[Category: Senger S]] | ||
| + | [[Category: Shah GP]] | ||
| + | [[Category: Toomey JR]] | ||
| + | [[Category: Watson NS]] | ||
| + | [[Category: Weston HE]] | ||
| + | [[Category: Young RJ]] | ||
| + | [[Category: Zhou P]] | ||
Current revision
Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs
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Categories: Homo sapiens | Large Structures | Borthwick AD | Brown D | Burns-Kurtis CL | Campbell M | Chan C | Charbaut M | Convery MA | Diallo H | Hortense E | Irving WR | Kelly HA | King NP | Kleanthous S | Mason AM | Pateman AJ | Patikis A | Pinto IL | Pollard DR | Senger S | Shah GP | Toomey JR | Watson NS | Weston HE | Young RJ | Zhou P
