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Structure-based approach for binding site identification on AmpC beta-lactamase.
Powers RA, Shoichet BK. Powers RA, et al. Among authors: shoichet bk. J Med Chem. 2002 Jul 18;45(15):3222-34. doi: 10.1021/jm020002p. J Med Chem. 2002. PMID: 12109906
A relationship between protein stability and protein function.
Shoichet BK, Baase WA, Kuroki R, Matthews BW. Shoichet BK, et al. Proc Natl Acad Sci U S A. 1995 Jan 17;92(2):452-6. doi: 10.1073/pnas.92.2.452. Proc Natl Acad Sci U S A. 1995. PMID: 7831309 Free PMC article.
Structure-based discovery of inhibitors of thymidylate synthase.
Shoichet BK, Stroud RM, Santi DV, Kuntz ID, Perry KM. Shoichet BK, et al. Science. 1993 Mar 5;259(5100):1445-50. doi: 10.1126/science.8451640. Science. 1993. PMID: 8451640
Molecular docking programs successfully predict the binding of a beta-lactamase inhibitory protein to TEM-1 beta-lactamase.
Strynadka NC, Eisenstein M, Katchalski-Katzir E, Shoichet BK, Kuntz ID, Abagyan R, Totrov M, Janin J, Cherfils J, Zimmerman F, Olson A, Duncan B, Rao M, Jackson R, Sternberg M, James MN. Strynadka NC, et al. Among authors: shoichet bk. Nat Struct Biol. 1996 Mar;3(3):233-9. doi: 10.1038/nsb0396-233. Nat Struct Biol. 1996. PMID: 8605624
Predicting the structure of protein complexes: a step in the right direction.
Shoichet BK, Kuntz ID. Shoichet BK, et al. Chem Biol. 1996 Mar;3(3):151-6. doi: 10.1016/s1074-5521(96)90256-2. Chem Biol. 1996. PMID: 8807840 Review.
Flexible ligand docking using conformational ensembles.
Lorber DM, Shoichet BK. Lorber DM, et al. Among authors: shoichet bk. Protein Sci. 1998 Apr;7(4):938-50. doi: 10.1002/pro.5560070411. Protein Sci. 1998. PMID: 9568900 Free PMC article.
An extended-spectrum AmpC-type beta-lactamase obtained by in vitro antibiotic selection.
Morosini MI, Negri MC, Shoichet B, Baquero MR, Baquero F, Blázquez J. Morosini MI, et al. FEMS Microbiol Lett. 1998 Aug 1;165(1):85-90. doi: 10.1111/j.1574-6968.1998.tb13131.x. FEMS Microbiol Lett. 1998. PMID: 9711843
Structure-based enhancement of boronic acid-based inhibitors of AmpC beta-lactamase.
Weston GS, Blázquez J, Baquero F, Shoichet BK. Weston GS, et al. Among authors: shoichet bk. J Med Chem. 1998 Nov 5;41(23):4577-86. doi: 10.1021/jm980343w. J Med Chem. 1998. PMID: 9804697
Three-dimensional structure of AmpC beta-lactamase from Escherichia coli bound to a transition-state analogue: possible implications for the oxyanion hypothesis and for inhibitor design.
Usher KC, Blaszczak LC, Weston GS, Shoichet BK, Remington SJ. Usher KC, et al. Among authors: shoichet bk. Biochemistry. 1998 Nov 17;37(46):16082-92. doi: 10.1021/bi981210f. Biochemistry. 1998. PMID: 9819201
Structure-based discovery and in-parallel optimization of novel competitive inhibitors of thymidylate synthase.
Tondi D, Slomczynska U, Costi MP, Watterson DM, Ghelli S, Shoichet BK. Tondi D, et al. Among authors: shoichet bk. Chem Biol. 1999 May;6(5):319-31. doi: 10.1016/S1074-5521(99)80077-5. Chem Biol. 1999. PMID: 10322126
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