BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

188 related articles for article (PubMed ID: 21972967)

  • 1. A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
    Köster H; Craan T; Brass S; Herhaus C; Zentgraf M; Neumann L; Heine A; Klebe G
    J Med Chem; 2011 Nov; 54(22):7784-96. PubMed ID: 21972967
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Application of fragment screening by X-ray crystallography to beta-secretase.
    Murray CW; Callaghan O; Chessari G; Cleasby A; Congreve M; Frederickson M; Hartshorn MJ; McMenamin R; Patel S; Wallis N
    J Med Chem; 2007 Mar; 50(6):1116-23. PubMed ID: 17315856
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
    Behnen J; Köster H; Neudert G; Craan T; Heine A; Klebe G
    ChemMedChem; 2012 Feb; 7(2):248-61. PubMed ID: 22213702
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors.
    Wang YS; Strickland C; Voigt JH; Kennedy ME; Beyer BM; Senior MM; Smith EM; Nechuta TL; Madison VS; Czarniecki M; McKittrick BA; Stamford AW; Parker EM; Hunter JC; Greenlee WJ; Wyss DF
    J Med Chem; 2010 Feb; 53(3):942-50. PubMed ID: 20043700
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
    Congreve M; Aharony D; Albert J; Callaghan O; Campbell J; Carr RA; Chessari G; Cowan S; Edwards PD; Frederickson M; McMenamin R; Murray CW; Patel S; Wallis N
    J Med Chem; 2007 Mar; 50(6):1124-32. PubMed ID: 17315857
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Tyramine fragment binding to BACE-1.
    Kuglstatter A; Stahl M; Peters JU; Huber W; Stihle M; Schlatter D; Benz J; Ruf A; Roth D; Enderle T; Hennig M
    Bioorg Med Chem Lett; 2008 Feb; 18(4):1304-7. PubMed ID: 18226904
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.
    Xing L; McDonald JJ; Kolodziej SA; Kurumbail RG; Williams JM; Warren CJ; O'Neal JM; Skepner JE; Roberds SL
    J Med Chem; 2011 Mar; 54(5):1211-22. PubMed ID: 21302953
    [TBL] [Abstract][Full Text] [Related]  

  • 8. X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution.
    Veerapandian B; Cooper JB; Sali A; Blundell TL
    J Mol Biol; 1990 Dec; 216(4):1017-29. PubMed ID: 2266553
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Discovery of a novel warhead against beta-secretase through fragment-based lead generation.
    Geschwindner S; Olsson LL; Albert JS; Deinum J; Edwards PD; de Beer T; Folmer RH
    J Med Chem; 2007 Nov; 50(24):5903-11. PubMed ID: 17985861
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Crystallographic fragment screening.
    Badger J
    Methods Mol Biol; 2012; 841():161-77. PubMed ID: 22222452
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library.
    Huschmann FU; Linnik J; Sparta K; Ühlein M; Wang X; Metz A; Schiebel J; Heine A; Klebe G; Weiss MS; Mueller U
    Acta Crystallogr F Struct Biol Commun; 2016 May; 72(Pt 5):346-55. PubMed ID: 27139825
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry.
    Mondal M; Radeva N; Fanlo-Virgós H; Otto S; Klebe G; Hirsch AK
    Angew Chem Int Ed Engl; 2016 Aug; 55(32):9422-6. PubMed ID: 27400756
    [TBL] [Abstract][Full Text] [Related]  

  • 13. F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
    Wollenhaupt J; Metz A; Barthel T; Lima GMA; Heine A; Mueller U; Klebe G; Weiss MS
    Structure; 2020 Jun; 28(6):694-706.e5. PubMed ID: 32413289
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Experimental Active-Site Mapping by Fragments: Hot Spots Remote from the Catalytic Center of Endothiapepsin.
    Radeva N; Krimmer SG; Stieler M; Fu K; Wang X; Ehrmann FR; Metz A; Huschmann FU; Weiss MS; Mueller U; Schiebel J; Heine A; Klebe G
    J Med Chem; 2016 Aug; 59(16):7561-75. PubMed ID: 27463859
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening.
    Amano Y; Tanabe E; Yamaguchi T
    Bioorg Med Chem; 2015 May; 23(10):2310-7. PubMed ID: 25862210
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Discovery of cyclic acylguanidines as highly potent and selective beta-site amyloid cleaving enzyme (BACE) inhibitors: Part I--inhibitor design and validation.
    Zhu Z; Sun ZY; Ye Y; Voigt J; Strickland C; Smith EM; Cumming J; Wang L; Wong J; Wang YS; Wyss DF; Chen X; Kuvelkar R; Kennedy ME; Favreau L; Parker E; McKittrick BA; Stamford A; Czarniecki M; Greenlee W; Hunter JC
    J Med Chem; 2010 Feb; 53(3):951-65. PubMed ID: 20043696
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Binding of phosphinate and phosphonate inhibitors to aspartic proteases: a first-principles study.
    Vidossich P; Carloni P
    J Phys Chem B; 2006 Jan; 110(3):1437-42. PubMed ID: 16471695
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Structure-based fragment hopping for lead optimization using predocked fragment database.
    Lin FY; Tseng YJ
    J Chem Inf Model; 2011 Jul; 51(7):1703-15. PubMed ID: 21627327
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Key factors for successful generation of protein-fragment structures requirement on protein, crystals, and technology.
    Böttcher J; Jestel A; Kiefersauer R; Krapp S; Nagel S; Steinbacher S; Steuber H
    Methods Enzymol; 2011; 493():61-89. PubMed ID: 21371587
    [TBL] [Abstract][Full Text] [Related]  

  • 20. A theoretical study of torsional flexibility in the active site of aspartic proteinases: implications for catalysis.
    Beveridge A
    Proteins; 1996 Mar; 24(3):322-34. PubMed ID: 8778779
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.