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Journal Abstract Search

461 related items for PubMed ID: 11676542

  • 1. Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
    Dullweber F, Stubbs MT, Musil D, Stürzebecher J, Klebe G.
    J Mol Biol; 2001 Oct 26; 313(3):593-614. PubMed ID: 11676542
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  • 4. A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
    Katz BA, Elrod K, Luong C, Rice MJ, Mackman RL, Sprengeler PA, Spencer J, Hataye J, Janc J, Link J, Litvak J, Rai R, Rice K, Sideris S, Verner E, Young W.
    J Mol Biol; 2001 Apr 13; 307(5):1451-86. PubMed ID: 11292354
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  • 5. Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.
    Baum B, Muley L, Smolinski M, Heine A, Hangauer D, Klebe G.
    J Mol Biol; 2010 Apr 09; 397(4):1042-54. PubMed ID: 20156458
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  • 6. Understanding binding affinity: a combined isothermal titration calorimetry/molecular dynamics study of the binding of a series of hydrophobically modified benzamidinium chloride inhibitors to trypsin.
    Talhout R, Villa A, Mark AE, Engberts JB.
    J Am Chem Soc; 2003 Sep 03; 125(35):10570-9. PubMed ID: 12940739
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  • 7. Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
    Krishnan R, Zhang E, Hakansson K, Arni RK, Tulinsky A, Lim-Wilby MS, Levy OE, Semple JE, Brunck TK.
    Biochemistry; 1998 Sep 01; 37(35):12094-103. PubMed ID: 9724521
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  • 8. Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety.
    Malikayil JA, Burkhart JP, Schreuder HA, Broersma RJ, Tardif C, Kutcher LW, Mehdi S, Schatzman GL, Neises B, Peet NP.
    Biochemistry; 1997 Feb 04; 36(5):1034-40. PubMed ID: 9033393
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  • 9. Compromise and accommodation in ecotin, a dimeric macromolecular inhibitor of serine proteases.
    Gillmor SA, Takeuchi T, Yang SQ, Craik CS, Fletterick RJ.
    J Mol Biol; 2000 Jun 16; 299(4):993-1003. PubMed ID: 10843853
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  • 10. Conformational constraint in protein ligand design and the inconsistency of binding entropy.
    Udugamasooriya DG, Spaller MR.
    Biopolymers; 2008 Aug 16; 89(8):653-67. PubMed ID: 18335423
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  • 11. Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study.
    Nardini M, Pesce A, Rizzi M, Casale E, Ferraccioli R, Balliano G, Milla P, Ascenzi P, Bolognesi M.
    J Mol Biol; 1996 May 24; 258(5):851-9. PubMed ID: 8637015
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  • 12. X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates.
    Toyota E, Ng KK, Sekizaki H, Itoh K, Tanizawa K, James MN.
    J Mol Biol; 2001 Jan 19; 305(3):471-9. PubMed ID: 11152605
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  • 13. Thermodynamic and structural effects of conformational constraints in protein-ligand interactions. Entropic paradoxy associated with ligand preorganization.
    DeLorbe JE, Clements JH, Teresk MG, Benfield AP, Plake HR, Millspaugh LE, Martin SF.
    J Am Chem Soc; 2009 Nov 25; 131(46):16758-70. PubMed ID: 19886660
    [Abstract] [Full Text] [Related]

  • 14. A fluorine scan of thrombin inhibitors to map the fluorophilicity/fluorophobicity of an enzyme active site: evidence for C-F...C=O interactions.
    Olsen JA, Banner DW, Seiler P, Obst Sander U, D'Arcy A, Stihle M, Müller K, Diederich F.
    Angew Chem Int Ed Engl; 2003 Jun 06; 42(22):2507-11. PubMed ID: 12800172
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  • 15. Profiling the structural determinants for the selectivity of representative factor-Xa and thrombin inhibitors using combined ligand-based and structure-based approaches.
    Bhunia SS, Roy KK, Saxena AK.
    J Chem Inf Model; 2011 Aug 22; 51(8):1966-85. PubMed ID: 21761917
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  • 16. Recruiting Zn2+ to mediate potent, specific inhibition of serine proteases.
    Katz BA, Luong C.
    J Mol Biol; 1999 Sep 24; 292(3):669-84. PubMed ID: 10497030
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  • 17. In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design.
    Costanzo MJ, Almond HR, Hecker LR, Schott MR, Yabut SC, Zhang HC, Andrade-Gordon P, Corcoran TW, Giardino EC, Kauffman JA, Lewis JM, de Garavilla L, Haertlein BJ, Maryanoff BE.
    J Med Chem; 2005 Mar 24; 48(6):1984-2008. PubMed ID: 15771442
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  • 18. Affinity and specificity of serine endopeptidase-protein inhibitor interactions. Empirical free energy calculations based on X-ray crystallographic structures.
    Krystek S, Stouch T, Novotny J.
    J Mol Biol; 1993 Dec 05; 234(3):661-79. PubMed ID: 8254666
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  • 19. Compounds binding to the S2-S3 pockets of thrombin.
    Nilsson M, Hämäläinen M, Ivarsson M, Gottfries J, Xue Y, Hansson S, Isaksson R, Fex T.
    J Med Chem; 2009 May 14; 52(9):2708-15. PubMed ID: 19371038
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  • 20. Multipolar interactions in the D pocket of thrombin: large differences between tricyclic imide and lactam inhibitors.
    Schweizer E, Hoffmann-Röder A, Olsen JA, Seiler P, Obst-Sander U, Wagner B, Kansy M, Banner DW, Diederich F.
    Org Biomol Chem; 2006 Jun 21; 4(12):2364-75. PubMed ID: 16763681
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