2j4i: Difference between revisions
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==Overview== | ==Overview== | ||
Structure-based drug design was exploited in the synthesis of | Structure-based drug design was exploited in the synthesis of 3-(6-chloronaphth-2-ylsulfonyl)aminopyrrolidin-2-one-based factor Xa (fXa) inhibitors, incorporating an alanylamide P4 group with acyclic tertiary amide termini. Optimized hydrophobic contacts of one amide substituent in P4 were complemented by hydrophobicity-modulating features in the second, producing potent fXa inhibitors including examples with excellent anticoagulant properties. | ||
==Disease== | ==Disease== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Borthwick, A | [[Category: Borthwick, A D.]] | ||
[[Category: Brown, D.]] | [[Category: Brown, D.]] | ||
[[Category: Campbell, M.]] | [[Category: Campbell, M.]] | ||
[[Category: Chan, C.]] | [[Category: Chan, C.]] | ||
[[Category: Convery, M | [[Category: Convery, M A.]] | ||
[[Category: Crowe, M | [[Category: Crowe, M C.]] | ||
[[Category: Dayal, S.]] | [[Category: Dayal, S.]] | ||
[[Category: Diallo, H.]] | [[Category: Diallo, H.]] | ||
[[Category: Kelly, H | [[Category: Kelly, H A.]] | ||
[[Category: King, N | [[Category: King, N Paul.]] | ||
[[Category: Kleanthous, S.]] | [[Category: Kleanthous, S.]] | ||
[[Category: Kurtis, C | [[Category: Kurtis, C L.]] | ||
[[Category: Mason, A | [[Category: Mason, A M.]] | ||
[[Category: Mordaunt, J | [[Category: Mordaunt, J E.]] | ||
[[Category: Patel, C.]] | [[Category: Patel, C.]] | ||
[[Category: Pateman, A | [[Category: Pateman, A J.]] | ||
[[Category: Senger, S.]] | [[Category: Senger, S.]] | ||
[[Category: Shah, G | [[Category: Shah, G P.]] | ||
[[Category: Smith, P | [[Category: Smith, P W.]] | ||
[[Category: Watson, N | [[Category: Watson, N S.]] | ||
[[Category: Weston, H | [[Category: Weston, H E.]] | ||
[[Category: Young, R | [[Category: Young, R J.]] | ||
[[Category: Zhou, P.]] | [[Category: Zhou, P.]] | ||
[[Category: CA]] | [[Category: CA]] | ||
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[[Category: zymogen]] | [[Category: zymogen]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:59:05 2008'' | ||
Revision as of 18:59, 21 February 2008
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
OverviewOverview
Structure-based drug design was exploited in the synthesis of 3-(6-chloronaphth-2-ylsulfonyl)aminopyrrolidin-2-one-based factor Xa (fXa) inhibitors, incorporating an alanylamide P4 group with acyclic tertiary amide termini. Optimized hydrophobic contacts of one amide substituent in P4 were complemented by hydrophobicity-modulating features in the second, producing potent fXa inhibitors including examples with excellent anticoagulant properties.
DiseaseDisease
Known disease associated with this structure: Factor X deficiency OMIM:[227600]
About this StructureAbout this Structure
2J4I is a Protein complex structure of sequences from Homo sapiens with and as ligands. Active as Coagulation factor Xa, with EC number 3.4.21.6 Known structural/functional Site: . Full crystallographic information is available from OCA.
ReferenceReference
Structure- and property-based design of factor Xa inhibitors: pyrrolidin-2-ones with acyclic alanyl amides as P4 motifs., Young RJ, Campbell M, Borthwick AD, Brown D, Burns-Kurtis CL, Chan C, Convery MA, Crowe MC, Dayal S, Diallo H, Kelly HA, King NP, Kleanthous S, Mason AM, Mordaunt JE, Patel C, Pateman AJ, Senger S, Shah GP, Smith PW, Watson NS, Weston HE, Zhou P, Bioorg Med Chem Lett. 2006 Dec 1;16(23):5953-7. Epub 2006 Sep 18. PMID:16982190
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Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCA- Pages with broken file links
- Coagulation factor Xa
- Homo sapiens
- Protein complex
- Borthwick, A D.
- Brown, D.
- Campbell, M.
- Chan, C.
- Convery, M A.
- Crowe, M C.
- Dayal, S.
- Diallo, H.
- Kelly, H A.
- King, N Paul.
- Kleanthous, S.
- Kurtis, C L.
- Mason, A M.
- Mordaunt, J E.
- Patel, C.
- Pateman, A J.
- Senger, S.
- Shah, G P.
- Smith, P W.
- Watson, N S.
- Weston, H E.
- Young, R J.
- Zhou, P.
- CA
- GSJ
- Blood coagulation
- Calcium
- Complex
- Egf-like domain
- Gamma-carboxyglutamic acid
- Glycoprotein
- Hydrolase
- Hydroxylation
- Polymorphism
- Protease
- Serine protease
- Zymogen