Herbert E Klei

Summary

Affiliation: Bristol-Myers Squibb
Country: USA

Publications

  1. pmc X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir
    Herbert E Klei
    Macromolecular Crystallography, Bristol Myers Squibb Pharmaceutical Research Institute, Princeton, NJ 08543 4000, USA
    J Virol 81:9525-35. 2007
  2. doi Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors
    Yan Shi
    Research and Development, Bristol Myers Squibb Company, PO Box 5400, Princeton, NJ 08543 5400, USA michael
    Bioorg Med Chem Lett 21:7516-21. 2011
  3. doi Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
    Yan Shi
    Research and Development, Bristol Myers Squibb Company, PO Box 5400, Princeton, NJ 08543 5400, USA
    Bioorg Med Chem Lett 19:6882-9. 2009
  4. doi Design, structure-activity relationships, X-ray crystal structure, and energetic contributions of a critical P1 pharmacophore: 3-chloroindole-7-yl-based factor Xa inhibitors
    Yan Shi
    Bristol Myers Squibb Research and Development, P O Box 5400, Princeton, New Jersey 08543 5400, USA
    J Med Chem 51:7541-51. 2008
  5. doi Discovery of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as potent, selective dipeptidyl peptidase-4 (DPP4) inhibitors
    Wei Meng
    Departments of Discovery Chemistry, Bristol Myers Squibb, Research and Development, Princeton, New Jersey 08543 5400, USA
    J Med Chem 53:5620-8. 2010
  6. doi 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site
    Wei Wang
    Metabolic Diseases Chemistry, Bristol Myers Squibb Research and Development, Princeton, NJ 08543 5400, USA
    Bioorg Med Chem Lett 21:6646-51. 2011
  7. ncbi The structure of Dasatinib (BMS-354825) bound to activated ABL kinase domain elucidates its inhibitory activity against imatinib-resistant ABL mutants
    John S Tokarski
    Bristol Myers Squibb Company, Pharmaceutical Research Institute, Princeton, New Jersey, USA
    Cancer Res 66:5790-7. 2006
  8. doi Structural basis for CARM1 inhibition by indole and pyrazole inhibitors
    John S Sack
    Bristol Myers Squibb Research and Development, P O Box 4000, Princeton, NJ 08543 4000, USA
    Biochem J 436:331-9. 2011
  9. pmc Involvement of DPP-IV catalytic residues in enzyme-saxagliptin complex formation
    William J Metzler
    Department of Molecular Biosciences, Bristol Myers Squibb Research and Development, Princeton, New Jersey 08543 4000, USA
    Protein Sci 17:240-50. 2008
  10. doi Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors
    Yan Shi
    Research and Development, Bristol Myers Squibb Company, PO Box 5400, Princeton, NJ 08543 5400, USA
    Bioorg Med Chem Lett 19:4034-41. 2009

Detail Information

Publications10

  1. pmc X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir
    Herbert E Klei
    Macromolecular Crystallography, Bristol Myers Squibb Pharmaceutical Research Institute, Princeton, NJ 08543 4000, USA
    J Virol 81:9525-35. 2007
    ..Because of its nearly symmetrical chemical structure, atazanavir is able to make several analogous contacts with each monomer of the biological dimer...
  2. doi Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors
    Yan Shi
    Research and Development, Bristol Myers Squibb Company, PO Box 5400, Princeton, NJ 08543 5400, USA michael
    Bioorg Med Chem Lett 21:7516-21. 2011
    ..7 μM. The X-ray structure of compound 40 bound to FXa shows that the sulfonamide-valerolactam scaffold anchors the aryl group in the S1 and the novel acylcytisine pharmacophore in the S4 pockets...
  3. doi Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
    Yan Shi
    Research and Development, Bristol Myers Squibb Company, PO Box 5400, Princeton, NJ 08543 5400, USA
    Bioorg Med Chem Lett 19:6882-9. 2009
    ..5 microM), which was found to be a selective, orally efficacious FXa inhibitor with an excellent in vitro liability profile, favorable pharmacokinetics and pharmacodynamics in animal models...
  4. doi Design, structure-activity relationships, X-ray crystal structure, and energetic contributions of a critical P1 pharmacophore: 3-chloroindole-7-yl-based factor Xa inhibitors
    Yan Shi
    Bristol Myers Squibb Research and Development, P O Box 5400, Princeton, New Jersey 08543 5400, USA
    J Med Chem 51:7541-51. 2008
    ..The stronger hydrophobicity of chloro- versus methyl-substituted aromatics may partly explain the general preference for chloro- versus methyl-substituted P1 groups in FXa, which extends beyond the current series...
  5. doi Discovery of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as potent, selective dipeptidyl peptidase-4 (DPP4) inhibitors
    Wei Meng
    Departments of Discovery Chemistry, Bristol Myers Squibb, Research and Development, Princeton, New Jersey 08543 5400, USA
    J Med Chem 53:5620-8. 2010
    ....
  6. doi 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site
    Wei Wang
    Metabolic Diseases Chemistry, Bristol Myers Squibb Research and Development, Princeton, NJ 08543 5400, USA
    Bioorg Med Chem Lett 21:6646-51. 2011
    ..Compound (+)-3t, with a K(i) against DPP4, DPP8, and DPP9 of 0.37 nM, 2.2, and 5.7 μM, respectively, showed a significant improvement in insulin response after single doses of 3 and 10 μmol/kg in ob/ob mice...
  7. ncbi The structure of Dasatinib (BMS-354825) bound to activated ABL kinase domain elucidates its inhibitory activity against imatinib-resistant ABL mutants
    John S Tokarski
    Bristol Myers Squibb Company, Pharmaceutical Research Institute, Princeton, New Jersey, USA
    Cancer Res 66:5790-7. 2006
    ..The structure also provides an explanation for the activity of dasatinib against imatinib-resistant BCR-ABL mutants...
  8. doi Structural basis for CARM1 inhibition by indole and pyrazole inhibitors
    John S Sack
    Bristol Myers Squibb Research and Development, P O Box 4000, Princeton, NJ 08543 4000, USA
    Biochem J 436:331-9. 2011
    ..Together, the structural and biophysical information should aid in the design of both potent and specific inhibitors of CARM1...
  9. pmc Involvement of DPP-IV catalytic residues in enzyme-saxagliptin complex formation
    William J Metzler
    Department of Molecular Biosciences, Bristol Myers Squibb Research and Development, Princeton, New Jersey 08543 4000, USA
    Protein Sci 17:240-50. 2008
    ..Together with the previously published enzymatic data, the structural and binding data presented here strongly support a histidine-assisted covalent bond formation between S630 hydroxyl oxygen and the nitrile group of saxagliptin...
  10. doi Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors
    Yan Shi
    Research and Development, Bristol Myers Squibb Company, PO Box 5400, Princeton, NJ 08543 5400, USA
    Bioorg Med Chem Lett 19:4034-41. 2009
    ..The X-ray crystal structure of 4 bound in FXa is presented and key ligand-protein interactions are discussed...