Department of Pharmacology

Research Description

The focus of our lab is on cancer drug discovery using fragment-based approaches and structure-based design. To accomplish this goal, we have assembled a multidisciplinary team that includes structural biologists, medicinal chemists, and cell biologists. Among them are five research professors and several research assistants, postdoctoral fellows, and graduate students. In our lab, we clone, express, and purify proteins, conduct fragment-based screens, determine the three-dimensional structures of protein/ligand complexes using NMR and/or X-ray crystallography, design and synthesize compounds, and test compounds in primary and secondary biological assays. The cancer drug targets that we are pursuing are highly validated but technically challenging such as K-Ras and c-Myc.

• Park CM, Bruncko M, Adickes J, Bauch J, Ding H, Kunzer A, Marsh KC, Nimmer P, Shoemaker AR, Song X, Tahir SK, Tse C, Wang X, Wendt MD, Yang X, Zhang H, Fesik SW, Rosenberg SH, Elmore SW. Discovery of an orally bioavailable small molecule inhibitor of prosurvival B-cell lymphoma 2 proteins. J. Med. Chem [print-electronic]. 2008 Nov 11/13/2008; 51(21): 6902-15. PMID: 18841882, DOI: 10.1021/jm800669s, ISSN: 1520-4804.
• Ackler S, Xiao Y, Mitten MJ, Foster K, Oleksijew A, Refici M, Schlessinger S, Wang B, Chemburkar SR, Bauch J, Tse C, Frost DJ, Fesik SW, Rosenberg SH, Elmore SW, Shoemaker AR. ABT-263 and rapamycin act cooperatively to kill lymphoma cells in vitro and in vivo. Mol. Cancer Ther. 2008 Oct; 7(10): 3265-74. PMID: 18852130, PII: 7/10/3265, DOI: 10.1158/1535-7163.MCT-08-0268, ISSN: 1535-7163.
• Zheng M, Morgan-Lappe SE, Yang J, Bockbrader KM, Pamarthy D, Thomas D, Fesik SW, Sun Y. Growth inhibition and radiosensitization of glioblastoma and lung cancer cells by small interfering RNA silencing of tumor necrosis factor receptor-associated factor 2. Cancer Res. 2008 Sep 9/15/2008; 68(18): 7570-8. PMID: 18794145, PMCID: PMC2597026, PII: 68/18/7570, DOI: 10.1158/0008-5472.CAN-08-0632, ISSN: 1538-7445.
• Shoemaker AR, Mitten MJ, Adickes J, Ackler S, Refici M, Ferguson D, Oleksijew A, O’Connor JM, Wang B, Frost DJ, Bauch J, Marsh K, Tahir SK, Yang X, Tse C, Fesik SW, Rosenberg SH, Elmore SW. Activity of the Bcl-2 family inhibitor ABT-263 in a panel of small cell lung cancer xenograft models. Clin. Cancer Res. 2008 Jun 6/1/2008; 14(11): 3268-77. PMID: 18519752, PII: 14/11/3268, DOI: 10.1158/1078-0432.CCR-07-4622, ISSN: 1078-0432.
• Tse C, Shoemaker AR, Adickes J, Anderson MG, Chen J, Jin S, Johnson EF, Marsh KC, Mitten MJ, Nimmer P, Roberts L, Tahir SK, Xiao Y, Yang X, Zhang H, Fesik S, Rosenberg SH, Elmore SW. ABT-263: a potent and orally bioavailable Bcl-2 family inhibitor. Cancer Res. 2008 May 5/1/2008; 68(9): 3421-8. PMID: 18451170, PII: 68/9/3421, DOI: 10.1158/0008-5472.CAN-07-5836, ISSN: 1538-7445.
• Lin X, David CA, Donnelly JB, Michaelides M, Chandel NS, Huang X, Warrior U, Weinberg F, Tormos KV, Fesik SW, Shen Y. A chemical genomics screen highlights the essential role of mitochondria in HIF-1 regulation. Proc. Natl. Acad. Sci. U.S.A [print-electronic]. 2008 Jan 1/8/2008; 105(1): 174-9. PMID: 18172210, PMCID: PMC2224181, PII: 0706585104, DOI: 10.1073/pnas.0706585104, ISSN: 1091-6490.
• Li L, Lin X, Khvorova A, Fesik SW, Shen Y. Defining the optimal parameters for hairpin-based knockdown constructs. RNA [print-electronic]. 2007 Oct; 13(10): 1765-74. PMID: 17698642, PMCID: PMC1986814, PII: rna.599107, DOI: 10.1261/rna.599107, ISSN: 1355-8382.
• Huth JR, Park C, Petros AM, Kunzer AR, Wendt MD, Wang X, Lynch CL, Mack JC, Swift KM, Judge RA, Chen J, Richardson PL, Jin S, Tahir SK, Matayoshi ED, Dorwin SA, Ladror US, Severin JM, Walter KA, Bartley DM, Fesik SW, Elmore SW, Hajduk PJ. Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies. Chem Biol Drug Des. 2007 Jul; 70(1): 1-12. PMID: 17630989, PII: JPP535, DOI: 10.1111/j.1747-0285.2007.00535.x, ISSN: 1747-0277.
• Lin X, Morgan-Lappe S, Huang X, Li L, Zakula DM, Vernetti LA, Fesik SW, Shen Y. ‘Seed’ analysis of off-target siRNAs reveals an essential role of Mcl-1 in resistance to the small-molecule Bcl-2/Bcl-XL inhibitor ABT-737. Oncogene [print-electronic]. 2007 Jun 6/7/2007; 26(27): 3972-9. PMID: 17173063, PII: 1210166, DOI: 10.1038/sj.onc.1210166, ISSN: 0950-9232.
• Lerner CG, Hajduk PJ, Wagner R, Wagenaar FL, Woodall C, Gu YG, Searle XB, Florjancic AS, Zhang T, Clark RF, Cooper CS, Mack JC, Yu L, Cai M, Betz SF, Chovan LE, McCall JO, Black-Schaefer CL, Kakavas SJ, Schurdak ME, Comess KM, Walter KA, Edalji R, Dorwin SA, Smith RA, Hebert EJ, Harlan JE, Metzger RE, Merta PJ, Baranowski JL, Coen ML, Thornewell SJ, Shivakumar AG, Saiki AY, Soni N, Bui M, Balli DJ, Sanders WJ, Nilius AM, Holzman TF, Fesik SW, Beutel BA. From bacterial genomes to novel antibacterial agents: discovery, characterization, and antibacterial activity of compounds that bind to HI0065 (YjeE) from Haemophilus influenzae. Chem Biol Drug Des. 2007 Jun; 69(6): 395-404. PMID: 17581233, PII: JPP521, DOI: 10.1111/j.1747-0285.2007.00521.x, ISSN: 1747-0277.
• Morgan-Lappe SE, Tucker LA, Huang X, Zhang Q, Sarthy AV, Zakula D, Vernetti L, Schurdak M, Wang J, Fesik SW. Identification of Ras-related nuclear protein, targeting protein for xenopus kinesin-like protein 2, and stearoyl-CoA desaturase 1 as promising cancer targets from an RNAi-based screen. Cancer Res. 2007 May 5/1/2007; 67(9): 4390-8. PMID: 17483353, PII: 67/9/4390, DOI: 10.1158/0008-5472.CAN-06-4132, ISSN: 0008-5472.
• Bruncko M, Oost TK, Belli BA, Ding H, Joseph MK, Kunzer A, Martineau D, McClellan WJ, Mitten M, Ng SC, Nimmer PM, Oltersdorf T, Park CM, Petros AM, Shoemaker AR, Song X, Wang X, Wendt MD, Zhang H, Fesik SW, Rosenberg SH, Elmore SW. Studies leading to potent, dual inhibitors of Bcl-2 and Bcl-xL. J. Med. Chem [print-electronic]. 2007 Feb 2/22/2007; 50(4): 641-62. PMID: 17256834, DOI: 10.1021/jm061152t, ISSN: 0022-2623.
• Tahir SK, Yang X, Anderson MG, Morgan-Lappe SE, Sarthy AV, Chen J, Warner RB, Ng SC, Fesik SW, Elmore SW, Rosenberg SH, Tse C. Influence of Bcl-2 family members on the cellular response of small-cell lung cancer cell lines to ABT-737. Cancer Res. 2007 Feb 2/1/2007; 67(3): 1176-83. PMID: 17283153, PII: 67/3/1176, DOI: 10.1158/0008-5472.CAN-06-2203, ISSN: 0008-5472.
• Sarthy AV, Morgan-Lappe SE, Zakula D, Vernetti L, Schurdak M, Packer JC, Anderson MG, Shirasawa S, Sasazuki T, Fesik SW. Survivin depletion preferentially reduces the survival of activated K-Ras-transformed cells. Mol. Cancer Ther. 2007 Jan; 6(1): 269-76. PMID: 17237286, PII: 6/1/269, DOI: 10.1158/1535-7163.MCT-06-0560, ISSN: 1535-7163.
• Shoemaker AR, Oleksijew A, Bauch J, Belli BA, Borre T, Bruncko M, Deckwirth T, Frost DJ, Jarvis K, Joseph MK, Marsh K, McClellan W, Nellans H, Ng S, Nimmer P, O’Connor JM, Oltersdorf T, Qing W, Shen W, Stavropoulos J, Tahir SK, Wang B, Warner R, Zhang H, Fesik SW, Rosenberg SH, Elmore SW. A small-molecule inhibitor of Bcl-XL potentiates the activity of cytotoxic drugs in vitro and in vivo. Cancer Res. 2006 Sep 9/1/2006; 66(17): 8731-9. PMID: 16951189, PII: 66/17/8731, DOI: 10.1158/0008-5472.CAN-06-0367, ISSN: 1538-7445.
• Li L, Lin X, Shoemaker AR, Albert DH, Fesik SW, Shen Y. Hypoxia-inducible factor-1 inhibition in combination with temozolomide treatment exhibits robust antitumor efficacy in vivo. Clin. Cancer Res. 2006 Aug 8/1/2006; 12(15): 4747-54. PMID: 16899626, PII: 12/15/4747, DOI: 10.1158/1078-0432.CCR-05-2842, ISSN: 1078-0432.
• Morgan-Lappe S, Woods KW, Li Q, Anderson MG, Schurdak ME, Luo Y, Giranda VL, Fesik SW, Leverson JD. RNAi-based screening of the human kinome identifies Akt-cooperating kinases: a new approach to designing efficacious multitargeted kinase inhibitors. Oncogene. 2006 Mar 3/2/2006; 25(9): 1340-8. PMID: 16247451, PII: 1209169, DOI: 10.1038/sj.onc.1209169, ISSN: 0950-9232.
• Wendt MD, Shen W, Kunzer A, McClellan WJ, Bruncko M, Oost TK, Ding H, Joseph MK, Zhang H, Nimmer PM, Ng SC, Shoemaker AR, Petros AM, Oleksijew A, Marsh K, Bauch J, Oltersdorf T, Belli BA, Martineau D, Fesik SW, Rosenberg SH, Elmore SW. Discovery and structure-activity relationship of antagonists of B-cell lymphoma 2 family proteins with chemopotentiation activity in vitro and in vivo. J. Med. Chem. 2006 Feb 2/9/2006; 49(3): 1165-81. PMID: 16451081, DOI: 10.1021/jm050754u, ISSN: 0022-2623.
• Petros AM, Dinges J, Augeri DJ, Baumeister SA, Betebenner DA, Bures MG, Elmore SW, Hajduk PJ, Joseph MK, Landis SK, Nettesheim DG, Rosenberg SH, Shen W, Thomas S, Wang X, Zanze I, Zhang H, Fesik SW. Discovery of a potent inhibitor of the antiapoptotic protein Bcl-xL from NMR and parallel synthesis. J. Med. Chem. 2006 Jan 1/26/2006; 49(2): 656-63. PMID: 16420051, DOI: 10.1021/jm0507532, ISSN: 0022-2623.
• Fesik SW. Promoting apoptosis as a strategy for cancer drug discovery. Nat. Rev. Cancer. 2005 Nov; 5(11): 876-85. PMID: 16239906, PII: nrc1736, DOI: 10.1038/nrc1736, ISSN: 1474-175X.
• Li L, Lin X, Staver M, Shoemaker A, Semizarov D, Fesik SW, Shen Y. Evaluating hypoxia-inducible factor-1alpha as a cancer therapeutic target via inducible RNA interference in vivo. Cancer Res. 2005 Aug 8/15/2005; 65(16): 7249-58. PMID: 16103076, PII: 65/16/7249, DOI: 10.1158/0008-5472.CAN-04-4426, ISSN: 0008-5472.
• Petros AM, Fesik SW, Olejniczak ET. 1H, 13C and 15N resonance assignments of a Bcl-xL/Bad peptide complex [letter]. J. Biomol. NMR. 2005 Jul; 32(3): 260. PMID: 16132832, DOI: 10.1007/s10858-005-7957-1, ISSN: 0925-2738.
• Oltersdorf T, Elmore SW, Shoemaker AR, Armstrong RC, Augeri DJ, Belli BA, Bruncko M, Deckwerth TL, Dinges J, Hajduk PJ, Joseph MK, Kitada S, Korsmeyer SJ, Kunzer AR, Letai A, Li C, Mitten MJ, Nettesheim DG, Ng S, Nimmer PM, O’Connor JM, Oleksijew A, Petros AM, Reed JC, Shen W, Tahir SK, Thompson CB, Tomaselli KJ, Wang B, Wendt MD, Zhang H, Fesik SW, Rosenberg SH. An inhibitor of Bcl-2 family proteins induces regression of solid tumours. Nature [print-electronic]. 2005 Jun 6/2/2005; 435(7042): 677-81. PMID: 15902208, PII: nature03579, DOI: 10.1038/nature03579, ISSN: 1476-4687.
• Hajduk PJ, Huth JR, Fesik SW. Druggability indices for protein targets derived from NMR-based screening data. J. Med. Chem. 2005 Apr 4/7/2005; 48(7): 2518-25. PMID: 15801841, DOI: 10.1021/jm049131r, ISSN: 0022-2623.
• Park CM, Sun C, Olejniczak ET, Wilson AE, Meadows RP, Betz SF, Elmore SW, Fesik SW. Non-peptidic small molecule inhibitors of XIAP. Bioorg. Med. Chem. Lett. 2005 Feb 2/1/2005; 15(3): 771-5. PMID: 15664855, PII: S0960-894X(04)01342-3, DOI: 10.1016/j.bmcl.2004.11.010, ISSN: 0960-894X.
• Lin X, Ruan X, Anderson MG, McDowell JA, Kroeger PE, Fesik SW, Shen Y. SiRNA-mediated off-target gene silencing triggered by a 7 nt complementation. Nucleic Acids Res [electronic-print]. 2005; 33(14): 4527-35. PMID: 16091630, PMCID: PMC1184219, PII: 33/14/4527, DOI: 10.1093/nar/gki762, ISSN: 1362-4962.
• Lin X, Yang J, Chen J, Gunasekera A, Fesik SW, Shen Y. Development of a tightly regulated U6 promoter for shRNA expression. FEBS Lett. 2004 Nov 11/19/2004; 577(3): 376-80. PMID: 15556613, PII: S0014579304012694, DOI: 10.1016/j.febslet.2004.10.033, ISSN: 0014-5793.
• Liu Z, Olejniczak ET, Fesik SW. Over-expression of the human MDM2 p53 binding domain by fusion to a p53 transactivation peptide. Protein Expr. Purif. 2004 Oct; 37(2): 493-8. PMID: 15358376, PII: S1046-5928(04)00236-0, DOI: 10.1016/j.pep.2004.06.036, ISSN: 1046-5928.
• Huth JR, Yu L, Collins I, Mack J, Mendoza R, Isaac B, Braddock DT, Muchmore SW, Comess KM, Fesik SW, Clore GM, Levens D, Hajduk PJ. NMR-driven discovery of benzoylanthranilic acid inhibitors of far upstream element binding protein binding to the human oncogene c-myc promoter. J. Med. Chem. 2004 Sep 9/23/2004; 47(20): 4851-7. PMID: 15369388, DOI: 10.1021/jm0497803, ISSN: 0022-2623.
• Oost TK, Sun C, Armstrong RC, Al-Assaad AS, Betz SF, Deckwerth TL, Ding H, Elmore SW, Meadows RP, Olejniczak ET, Oleksijew A, Oltersdorf T, Rosenberg SH, Shoemaker AR, Tomaselli KJ, Zou H, Fesik SW. Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer. J. Med. Chem. 2004 Aug 8/26/2004; 47(18): 4417-26. PMID: 15317454, DOI: 10.1021/jm040037k, ISSN: 0022-2623.
• Huang Q, Yu L, Petros AM, Gunasekera A, Liu Z, Xu N, Hajduk P, Mack J, Fesik SW, Olejniczak ET. Structure of the N-terminal RNA-binding domain of the SARS CoV nucleocapsid protein. Biochemistry. 2004 May 5/25/2004; 43(20): 6059-63. PMID: 15147189, DOI: 10.1021/bi036155b, ISSN: 0006-2960.
• Petros AM, Olejniczak ET, Fesik SW. Structural biology of the Bcl-2 family of proteins. Biochim. Biophys. Acta. 2004 Mar 3/1/2004; 1644(2-3): 83-94. PMID: 14996493, PII: S0167488903001757, DOI: 10.1016/j.bbamcr.2003.08.012, ISSN: 0006-3002.
• Petros AM, Gunasekera A, Xu N, Olejniczak ET, Fesik SW. Defining the p53 DNA-binding domain/Bcl-x(L)-binding interface using NMR. FEBS Lett. 2004 Feb 2/13/2004; 559(1-3): 171-4. PMID: 14960327, PII: S0014579304000596, DOI: 10.1016/S0014-5793(04)00059-6, ISSN: 0014-5793.
• Semizarov D, Kroeger P, Fesik S. SiRNA-mediated gene silencing: a global genome view. Nucleic Acids Res [electronic-print]. 2004; 32(13): 3836-45. PMID: 15272085, PMCID: PMC506802, PII: 32/13/3836, DOI: 10.1093/nar/gkh714, ISSN: 1362-4962.
• Huang Q, Petros AM, Virgin HW, Fesik SW, Olejniczak ET. Solution structure of the BHRF1 protein from Epstein-Barr virus, a homolog of human Bcl-2. J. Mol. Biol. 2003 Oct 10/3/2003; 332(5): 1123-30. PMID: 14499614, PII: S0022283603010234, ISSN: 0022-2836.
• Xiao Z, Chen Z, Gunasekera AH, Sowin TJ, Rosenberg SH, Fesik S, Zhang H. Chk1 mediates S and G2 arrests through Cdc25A degradation in response to DNA-damaging agents. J. Biol. Chem [print-electronic]. 2003 Jun 6/13/2003; 278(24): 21767-73. PMID: 12676925, PII: M300229200, DOI: 10.1074/jbc.M300229200, ISSN: 0021-9258.
• Chen Z, Xiao Z, Chen J, Ng SC, Sowin T, Sham H, Rosenberg S, Fesik S, Zhang H. Human Chk1 expression is dispensable for somatic cell death and critical for sustaining G2 DNA damage checkpoint. Mol. Cancer Ther. 2003 Jun; 2(6): 543-8. PMID: 12813133, ISSN: 1535-7163.
• Semizarov D, Frost L, Sarthy A, Kroeger P, Halbert DN, Fesik SW. Specificity of short interfering RNA determined through gene expression signatures. Proc. Natl. Acad. Sci. U.S.A [print-electronic]. 2003 May 5/27/2003; 100(11): 6347-52. PMID: 12746500, PMCID: PMC164449, PII: 1131959100, DOI: 10.1073/pnas.1131959100, ISSN: 0027-8424.
• Liu G, Szczepankiewicz BG, Pei Z, Janowick DA, Xin Z, Hajduk PJ, Abad-Zapatero C, Liang H, Hutchins CW, Fesik SW, Ballaron SJ, Stashko MA, Lubben T, Mika AK, Zinker BA, Trevillyan JM, Jirousek MR. Discovery and structure-activity relationship of oxalylarylaminobenzoic acids as inhibitors of protein tyrosine phosphatase 1B. J. Med. Chem. 2003 May 5/22/2003; 46(11): 2093-103. PMID: 12747781, DOI: 10.1021/jm0205696, ISSN: 0022-2623.
• Yu L, Oost TK, Schkeryantz JM, Yang J, Janowick D, Fesik SW. Discovery of aminoglycoside mimetics by NMR-based screening of Escherichia coli A-site RNA. J. Am. Chem. Soc. 2003 Apr 4/16/2003; 125(15): 4444-50. PMID: 12683814, DOI: 10.1021/ja021354o, ISSN: 0002-7863.
• Szczepankiewicz BG, Liu G, Hajduk PJ, Abad-Zapatero C, Pei Z, Xin Z, Lubben TH, Trevillyan JM, Stashko MA, Ballaron SJ, Liang H, Huang F, Hutchins CW, Fesik SW, Jirousek MR. Discovery of a potent, selective protein tyrosine phosphatase 1B inhibitor using a linked-fragment strategy. J. Am. Chem. Soc. 2003 Apr 4/9/2003; 125(14): 4087-96. PMID: 12670229, DOI: 10.1021/ja0296733, ISSN: 0002-7863.
• Zou H, Yang R, Hao J, Wang J, Sun C, Fesik SW, Wu JC, Tomaselli KJ, Armstrong RC. Regulation of the Apaf-1/caspase-9 apoptosome by caspase-3 and XIAP. J. Biol. Chem [print-electronic]. 2003 Mar 3/7/2003; 278(10): 8091-8. PMID: 12506111, PII: M204783200, DOI: 10.1074/jbc.M204783200, ISSN: 0021-9258.
• Hajduk PJ, Mendoza R, Petros AM, Huth JR, Bures M, Fesik SW, Martin YC. Ligand binding to domain-3 of human serum albumin: a chemometric analysis. J. Comput. Aided Mol. Des. 2003 Feb; 17(2-4): 93-102. PMID: 13677478, ISSN: 0920-654X.
• Hajduk PJ, Shuker SB, Nettesheim DG, Craig R, Augeri DJ, Betebenner D, Albert DH, Guo Y, Meadows RP, Xu L, Michaelides M, Davidsen SK, Fesik SW. NMR-based modification of matrix metalloproteinase inhibitors with improved bioavailability. J. Med. Chem. 2002 Dec 12/19/2002; 45(26): 5628-39. PMID: 12477346, PII: jm020160g, ISSN: 0022-2623.
• Hajduk PJ, Betz SF, Mack J, Ruan X, Towne DL, Lerner CG, Beutel BA, Fesik SW. A strategy for high-throughput assay development using leads derived from nuclear magnetic resonance-based screening. J Biomol Screen. 2002 Oct; 7(5): 429-32. PMID: 14599358, DOI: 10.1177/108705702237674, ISSN: 1087-0571.
• Huang Q, Petros AM, Virgin HW, Fesik SW, Olejniczak ET. Solution structure of a Bcl-2 homolog from Kaposi sarcoma virus. Proc. Natl. Acad. Sci. U.S.A. 2002 Mar 3/19/2002; 99(6): 3428-33. PMID: 11904405, PMCID: PMC122540, PII: 99/6/3428, DOI: 10.1073/pnas.062525799, ISSN: 0027-8424.
• Fesik SW, Shi Y. Structural biology. Controlling the caspases. Science. 2001 Nov 11/16/2001; 294(5546): 1477-8. PMID: 11711663, PII: 294/5546/1477, DOI: 10.1126/science.1062236, ISSN: 0036-8075.
• Mao H, Hajduk PJ, Craig R, Bell R, Borre T, Fesik SW. Rational design of diflunisal analogues with reduced affinity for human serum albumin. J. Am. Chem. Soc. 2001 Oct 10/31/2001; 123(43): 10429-35. PMID: 11673972, PII: ja015955b, ISSN: 0002-7863.
• Yu L, Gunasekera AH, Mack J, Olejniczak ET, Chovan LE, Ruan X, Towne DL, Lerner CG, Fesik SW. Solution structure and function of a conserved protein SP14.3 encoded by an essential Streptococcus pneumoniae gene. J. Mol. Biol. 2001 Aug 8/17/2001; 311(3): 593-604. PMID: 11493012, PII: S0022-2836(01)94894-6, DOI: 10.1006/jmbi.2001.4894, ISSN: 0022-2836.
• Yu L, Mack J, Hajduk P, Fesik SW. Structure of the N-terminal region of Haemophilus influenzae H10017: implications for function. J. Biomol. NMR. 2001 Jun; 20(2): 105-10. PMID: 11495242, ISSN: 0925-2738.
• Liu G, Huth JR, Olejniczak ET, Mendoza R, DeVries P, Leitza S, Reilly EB, Okasinski GF, Fesik SW, von Geldern TW. Novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 2. Mechanism of inhibition and structure-based improvement of pharmaceutical properties. J. Med. Chem. 2001 Apr 4/12/2001; 44(8): 1202-10. PMID: 11312920, PII: jm000503f, ISSN: 0022-2623.
• Petros AM, Medek A, Nettesheim DG, Kim DH, Yoon HS, Swift K, Matayoshi ED, Oltersdorf T, Fesik SW. Solution structure of the antiapoptotic protein bcl-2. Proc. Natl. Acad. Sci. U.S.A [print-electronic]. 2001 Mar 3/13/2001; 98(6): 3012-7. PMID: 11248023, PMCID: PMC30598, PII: 041619798, DOI: 10.1073/pnas.041619798, ISSN: 0027-8424.
• Riedl SJ, Renatus M, Schwarzenbacher R, Zhou Q, Sun C, Fesik SW, Liddington RC, Salvesen GS. Structural basis for the inhibition of caspase-3 by XIAP. Cell. 2001 Mar 3/9/2001; 104(5): 791-800. PMID: 11257232, PII: S0092-8674(01)00274-4, ISSN: 0092-8674.
• Liu Z, Sun C, Olejniczak ET, Meadows RP, Betz SF, Oost T, Herrmann J, Wu JC, Fesik SW. Structural basis for binding of Smac/DIABLO to the XIAP BIR3 domain. Nature. 2000 Dec 12/21/2000; 408(6815): 1004-8. PMID: 11140637, DOI: 10.1038/35050006, ISSN: 0028-0836.
• Hajduk PJ, Gomtsyan A, Didomenico S, Cowart M, Bayburt EK, Solomon L, Severin J, Smith R, Walter K, Holzman TF, Stewart A, McGaraughty S, Jarvis MF, Kowaluk EA, Fesik SW. Design of adenosine kinase inhibitors from the NMR-based screening of fragments. J. Med. Chem. 2000 Dec 12/14/2000; 43(25): 4781-6. PMID: 11123986, PII: jm000373a, ISSN: 0022-2623.
• Mao H, Gunasekera AH, Fesik SW. Expression, refolding, and isotopic labeling of human serum albumin domains for NMR spectroscopy. Protein Expr. Purif. 2000 Dec; 20(3): 492-9. PMID: 11087689, PII: S1046-5928(00)91330-5, DOI: 10.1006/prep.2000.1330, ISSN: 1046-5928.
• Petros AM, Nettesheim DG, Wang Y, Olejniczak ET, Meadows RP, Mack J, Swift K, Matayoshi ED, Zhang H, Thompson CB, Fesik SW. Rationale for Bcl-xL/Bad peptide complex formation from structure, mutagenesis, and biophysical studies. Protein Sci. 2000 Dec; 9(12): 2528-34. PMID: 11206074, PMCID: PMC2144516, DOI: 10.1110/ps.9.12.2528, ISSN: 0961-8368.
• Medek A, Olejniczak ET, Meadows RP, Fesik SW. An approach for high-throughput structure determination of proteins by NMR spectroscopy. J. Biomol. NMR. 2000 Nov; 18(3): 229-38. PMID: 11142513, ISSN: 0925-2738.
• Sun C, Cai M, Meadows RP, Xu N, Gunasekera AH, Herrmann J, Wu JC, Fesik SW. NMR structure and mutagenesis of the third Bir domain of the inhibitor of apoptosis protein XIAP. J. Biol. Chem. 2000 Oct 10/27/2000; 275(43): 33777-81. PMID: 10934209, PII: M006226200, DOI: 10.1074/jbc.M006226200, ISSN: 0021-9258.
• Hajduk PJ, Boyd S, Nettesheim D, Nienaber V, Severin J, Smith R, Davidson D, Rockway T, Fesik SW. Identification of novel inhibitors of urokinase via NMR-based screening. J. Med. Chem. 2000 Oct 10/19/2000; 43(21): 3862-6. PMID: 11052791, PII: jm0002228, ISSN: 0022-2623.
• Fesik SW. Insights into programmed cell death through structural biology. Cell. 2000 Oct 10/13/2000; 103(2): 273-82. PMID: 11057900, PII: S0092-8674(00)00119-7, ISSN: 0092-8674.
• Losonczi JA, Olejniczak ET, Betz SF, Harlan JE, Mack J, Fesik SW. NMR studies of the anti-apoptotic protein Bcl-xL in micelles. Biochemistry. 2000 Sep 9/12/2000; 39(36): 11024-33. PMID: 10998239, PII: bi000919v, ISSN: 0006-2960.
• Hajduk PJ, Bures M, Praestgaard J, Fesik SW. Privileged molecules for protein binding identified from NMR-based screening. J. Med. Chem. 2000 Sep 9/7/2000; 43(18): 3443-7. PMID: 10978192, PII: jm000164q, ISSN: 0022-2623.
• Datta SR, Katsov A, Hu L, Petros A, Fesik SW, Yaffe MB, Greenberg ME. 14-3-3 proteins and survival kinases cooperate to inactivate BAD by BH3 domain phosphorylation. Mol. Cell. 2000 Jul; 6(1): 41-51. PMID: 10949026, PII: S1097-2765(05)00012-2, ISSN: 1097-2765.
• Huth JR, Olejniczak ET, Mendoza R, Liang H, Harris EA, Lupher ML, Wilson AE, Fesik SW, Staunton DE. NMR and mutagenesis evidence for an I domain allosteric site that regulates lymphocyte function-associated antigen 1 ligand binding. Proc. Natl. Acad. Sci. U.S.A. 2000 May 5/9/2000; 97(10): 5231-6. PMID: 10805782, PMCID: PMC25811, PII: 97/10/5231, ISSN: 0027-8424.
• Sun C, Cai M, Gunasekera AH, Meadows RP, Wang H, Chen J, Zhang H, Wu W, Xu N, Ng SC, Fesik SW. NMR structure and mutagenesis of the inhibitor-of-apoptosis protein XIAP. Nature. 1999 Oct 10/21/1999; 401(6755): 818-22. PMID: 10548111, DOI: 10.1038/44617, ISSN: 0028-0836.
• Wiedeman PE, Fesik SW, Petros AM, Nettesheim DG, Mollison KW, Lane BC, Or YS, Luly JR. Retention of immunosuppressant activity in an ascomycin analogue lacking a hydrogen-bonding interaction with FKBP12. J. Med. Chem. 1999 Oct 10/21/1999; 42(21): 4456-61. PMID: 10543889, PII: jm980252z, ISSN: 0022-2623.
• Chang BS, Kelekar A, Harris MH, Harlan JE, Fesik SW, Thompson CB. The BH3 domain of Bcl-x(S) is required for inhibition of the antiapoptotic function of Bcl-x(L). Mol. Cell. Biol. 1999 Oct; 19(10): 6673-81. PMID: 10490606, PMCID: PMC84651, ISSN: 0270-7306.
• Hajduk PJ, Dinges J, Schkeryantz JM, Janowick D, Kaminski M, Tufano M, Augeri DJ, Petros A, Nienaber V, Zhong P, Hammond R, Coen M, Beutel B, Katz L, Fesik SW. Novel inhibitors of Erm methyltransferases from NMR and parallel synthesis. J. Med. Chem. 1999 Sep 9/23/1999; 42(19): 3852-9. PMID: 10508434, PII: jm990293a, ISSN: 0022-2623.
• Hajduk PJ, Zhou MM, Fesik SW. NMR-based discovery of phosphotyrosine mimetics that bind to the Lck SH2 domain. Bioorg. Med. Chem. Lett. 1999 Aug 8/16/1999; 9(16): 2403-6. PMID: 10476877, PII: S0960-894X(99)00403-5, ISSN: 0960-894X.
• Cai M, Wang H, Olejniczak ET, Meadows RP, Gunasekera AH, Xu N, Fesik SW. Accurate measurement of H(N)-H(alpha) residual dipolar couplings in proteins. J. Magn. Reson. 1999 Aug; 139(2): 451-3. PMID: 10423386, PII: S1090-7807(99)91819-0, DOI: 10.1006/jmre.1999.1819, ISSN: 1090-7807.
• Hajduk PJ, Meadows RP, Fesik SW. NMR-based screening in drug discovery. Q. Rev. Biophys. 1999 Aug; 32(3): 211-40. PMID: 11194565, ISSN: 0033-5835.
• Muegge I, Martin YC, Hajduk PJ, Fesik SW. Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein. J. Med. Chem. 1999 Jul 7/15/1999; 42(14): 2498-503. PMID: 10411471, PII: jm990073x, DOI: 10.1021/jm990073x, ISSN: 0022-2623.
• Hajduk PJ, Gerfin T, Boehlen JM, Häberli M, Marek D, Fesik SW. High-throughput nuclear magnetic resonance-based screening. J. Med. Chem. 1999 Jul 7/1/1999; 42(13): 2315-7. PMID: 10395471, PII: jm9901475, DOI: 10.1021/jm9901475, ISSN: 0022-2623.
• Martin DA, Zheng L, Siegel RM, Huang B, Fisher GH, Wang J, Jackson CE, Puck JM, Dale J, Straus SE, Peter ME, Krammer PH, Fesik S, Lenardo MJ. Defective CD95/APO-1/Fas signal complex formation in the human autoimmune lymphoproliferative syndrome, type Ia. Proc. Natl. Acad. Sci. U.S.A. 1999 Apr 4/13/1999; 96(8): 4552-7. PMID: 10200300, PMCID: PMC16370, ISSN: 0027-8424.
• Minn AJ, Kettlun CS, Liang H, Kelekar A, Vander Heiden MG, Chang BS, Fesik SW, Fill M, Thompson CB. Bcl-xL regulates apoptosis by heterodimerization-dependent and -independent mechanisms. EMBO J. 1999 Feb 2/1/1999; 18(3): 632-43. PMID: 9927423, PMCID: PMC1171156, DOI: 10.1093/emboj/18.3.632, ISSN: 0261-4189.
• Liu X, Wang H, Eberstadt M, Schnuchel A, Olejniczak ET, Meadows RP, Schkeryantz JM, Janowick DA, Harlan JE, Harris EA, Staunton DE, Fesik SW. NMR structure and mutagenesis of the N-terminal Dbl homology domain of the nucleotide exchange factor Trio. Cell. 1998 Oct 10/16/1998; 95(2): 269-77. PMID: 9790533, PII: S0092-8674(00)81757-2, ISSN: 0092-8674.
• Betz SF, Schnuchel A, Wang H, Olejniczak ET, Meadows RP, Lipsky BP, Harris EA, Staunton DE, Fesik SW. Solution structure of the cytohesin-1 (B2-1) Sec7 domain and its interaction with the GTPase ADP ribosylation factor 1. Proc. Natl. Acad. Sci. U.S.A. 1998 Jul 7/7/1998; 95(14): 7909-14. PMID: 9653114, PMCID: PMC20903, ISSN: 0027-8424.
• Eberstadt M, Huang B, Chen Z, Meadows RP, Ng SC, Zheng L, Lenardo MJ, Fesik SW. NMR structure and mutagenesis of the FADD (Mort1) death-effector domain. Nature. 1998 Apr 4/30/1998; 392(6679): 941-5. PMID: 9582077, DOI: 10.1038/31972, ISSN: 0028-0836.
• Liang H, Fesik SW. Three-dimensional structures of proteins involved in programmed cell death. J. Mol. Biol. 1997 Dec 12/5/1997; 274(3): 291-302. PMID: 9405139, PII: S0022-2836(97)91415-7, DOI: 10.1006/jmbi.1997.1415, ISSN: 0022-2836.
• Eberstadt M, Huang B, Olejniczak ET, Fesik SW. The lymphoproliferation mutation in Fas locally unfolds the Fas death domain [letter]. Nat. Struct. Biol. 1997 Dec; 4(12): 983-5. PMID: 9406545, ISSN: 1072-8368.
• Kelekar A, Chang BS, Harlan JE, Fesik SW, Thompson CB. Bad is a BH3 domain-containing protein that forms an inactivating dimer with Bcl-XL. Mol. Cell. Biol. 1997 Dec; 17(12): 7040-6. PMID: 9372935, PMCID: PMC232560, ISSN: 0270-7306.
• Hajduk PJ, Meadows RP, Fesik SW. Discovering high-affinity ligands for proteins. Science. 1997 Oct 10/17/1997; 278(5337): 497-9. PMID: 9381145, ISSN: 0036-8075.
• Hajduk PJ, Dinges J, Miknis GF, Merlock M, Middleton T, Kempf DJ, Egan DA, Walter KA, Robins TS, Shuker SB, Holzman TF, Fesik SW. NMR-based discovery of lead inhibitors that block DNA binding of the human papillomavirus E2 protein. J. Med. Chem. 1997 Sep 9/26/1997; 40(20): 3144-50. PMID: 9379433, PII: jm9703404, DOI: 10.1021/jm9703404, ISSN: 0022-2623.
• Ravichandran KS, Zhou MM, Pratt JC, Harlan JE, Walk SF, Fesik SW, Burakoff SJ. Evidence for a requirement for both phospholipid and phosphotyrosine binding via the Shc phosphotyrosine-binding domain in vivo. Mol. Cell. Biol. 1997 Sep; 17(9): 5540-9. PMID: 9271429, PMCID: PMC232402, ISSN: 0270-7306.
• Yu L, Petros AM, Schnuchel A, Zhong P, Severin JM, Walter K, Holzman TF, Fesik SW. Solution structure of an rRNA methyltransferase (ErmAM) that confers macrolide-lincosamide-streptogramin antibiotic resistance. Nat. Struct. Biol. 1997 Jun; 4(6): 483-9. PMID: 9187657, ISSN: 1072-8368.
• Olejniczak ET, Zhou MM, Fesik SW. Changes in the NMR-derived motional parameters of the insulin receptor substrate 1 phosphotyrosine binding domain upon binding to an interleukin 4 receptor phosphopeptide. Biochemistry. 1997 Apr 4/8/1997; 36(14): 4118-24. PMID: 9100005, PII: bi963050i, DOI: 10.1021/bi963050i, ISSN: 0006-2960.
• Chang BS, Minn AJ, Muchmore SW, Fesik SW, Thompson CB. Identification of a novel regulatory domain in Bcl-X(L) and Bcl-2. EMBO J. 1997 Mar 3/3/1997; 16(5): 968-77. PMID: 9118958, PMCID: PMC1169697, DOI: 10.1093/emboj/16.5.968, ISSN: 0261-4189.
• Sattler M, Liang H, Nettesheim D, Meadows RP, Harlan JE, Eberstadt M, Yoon HS, Shuker SB, Chang BS, Minn AJ, Thompson CB, Fesik SW. Structure of Bcl-xL-Bak peptide complex: recognition between regulators of apoptosis. Science. 1997 Feb 2/14/1997; 275(5302): 983-6. PMID: 9020082, ISSN: 0036-8075.
• Minn AJ, Vélez P, Schendel SL, Liang H, Muchmore SW, Fesik SW, Fill M, Thompson CB. Bcl-x(L) forms an ion channel in synthetic lipid membranes. Nature. 1997 Jan 1/23/1997; 385(6614): 353-7. PMID: 9002522, DOI: 10.1038/385353a0, ISSN: 0028-0836.
• Huang B, Eberstadt M, Olejniczak ET, Meadows RP, Fesik SW. NMR structure and mutagenesis of the Fas (APO-1/CD95) death domain. Nature. 1996 Dec 12/19/1996; 384(6610): 638-41. PMID: 8967952, DOI: 10.1038/384638a0, ISSN: 0028-0836.
• Shuker SB, Hajduk PJ, Meadows RP, Fesik SW. Discovering high-affinity ligands for proteins: SAR by NMR. Science. 1996 Nov 11/29/1996; 274(5292): 1531-4. PMID: 8929414, ISSN: 0036-8075.
• Sattler M, Fesik SW. Use of deuterium labeling in NMR: overcoming a sizeable problem. Structure. 1996 Nov 11/15/1996; 4(11): 1245-9. PMID: 8939758, PII: S0969-2126(96)00133-5, ISSN: 0969-2126.
• Lomasney JW, Cheng HF, Wang LP, Kuan Y, Liu S, Fesik SW, King K. Phosphatidylinositol 4,5-bisphosphate binding to the pleckstrin homology domain of phospholipase C-delta1 enhances enzyme activity. J. Biol. Chem. 1996 Oct 10/11/1996; 271(41): 25316-26. PMID: 8810295, ISSN: 0021-9258.
• Yu L, Zhu CX, Tse-Dinh YC, Fesik SW. Backbone dynamics of the C-terminal domain of Escherichia coli topoisomerase I in the absence and presence of single-stranded DNA. Biochemistry. 1996 Jul 7/30/1996; 35(30): 9661-6. PMID: 8703937, PII: bi960507f, DOI: 10.1021/bi960507f, ISSN: 0006-2960.
• Ravichandran KS, Igras V, Shoelson SE, Fesik SW, Burakoff SJ. Evidence for a role for the phosphotyrosine-binding domain of Shc in interleukin 2 signaling. Proc. Natl. Acad. Sci. U.S.A. 1996 May 5/28/1996; 93(11): 5275-80. PMID: 8643566, PMCID: PMC39235, ISSN: 0027-8424.
• Muchmore SW, Sattler M, Liang H, Meadows RP, Harlan JE, Yoon HS, Nettesheim D, Chang BS, Thompson CB, Wong SL, Ng SL, Fesik SW. X-ray and NMR structure of human Bcl-xL, an inhibitor of programmed cell death. Nature. 1996 May 5/23/1996; 381(6580): 335-41. PMID: 8692274, DOI: 10.1038/381335a0, ISSN: 0028-0836.
• Zhou MM, Huang B, Olejniczak ET, Meadows RP, Shuker SB, Miyazaki M, Trüb T, Shoelson SE, Fesik SW. Structural basis for IL-4 receptor phosphopeptide recognition by the IRS-1 PTB domain. Nat. Struct. Biol. 1996 Apr; 3(4): 388-93. PMID: 8599766, ISSN: 1072-8368.
• Liang H, Petros AM, Meadows RP, Yoon HS, Egan DA, Walter K, Holzman TF, Robins T, Fesik SW. Solution structure of the DNA-binding domain of a human papillomavirus E2 protein: evidence for flexible DNA-binding regions. Biochemistry. 1996 Feb 2/20/1996; 35(7): 2095-103. PMID: 8652551, PII: bi951932w, DOI: 10.1021/bi951932w, ISSN: 0006-2960.
• Zhou MM, Harlan JE, Wade WS, Crosby S, Ravichandran KS, Burakoff SJ, Fesik SW. Binding affinities of tyrosine-phosphorylated peptides to the COOH-terminal SH2 and NH2-terminal phosphotyrosine binding domains of Shc. J. Biol. Chem. 1995 Dec 12/29/1995; 270(52): 31119-23. PMID: 8537373, ISSN: 0021-9258.
• Zhou MM, Ravichandran KS, Olejniczak EF, Petros AM, Meadows RP, Sattler M, Harlan JE, Wade WS, Burakoff SJ, Fesik SW. Structure and ligand recognition of the phosphotyrosine binding domain of Shc. Nature. 1995 Dec 12/7/1995; 378(6557): 584-92. PMID: 8524391, DOI: 10.1038/378584a0, ISSN: 0028-0836.
• Zhou MM, Meadows RP, Logan TM, Yoon HS, Wade WS, Ravichandran KS, Burakoff SJ, Fesik SW. Solution structure of the Shc SH2 domain complexed with a tyrosine-phosphorylated peptide from the T-cell receptor. Proc. Natl. Acad. Sci. U.S.A. 1995 Aug 8/15/1995; 92(17): 7784-8. PMID: 7544002, PMCID: PMC41230, ISSN: 0027-8424.
• Harlan JE, Yoon HS, Hajduk PJ, Fesik SW. Structural characterization of the interaction between a pleckstrin homology domain and phosphatidylinositol 4,5-bisphosphate. Biochemistry. 1995 Aug 8/8/1995; 34(31): 9859-64. PMID: 7632686, ISSN: 0006-2960.
• Yu L, Zhu CX, Tse-Dinh YC, Fesik SW. Solution structure of the C-terminal single-stranded DNA-binding domain of Escherichia coli topoisomerase I. Biochemistry. 1995 Jun 6/13/1995; 34(23): 7622-8. PMID: 7779808, ISSN: 0006-2960.
• Zhou MM, Fesik SW. Structure and function of the phosphotyrosine binding (PTB) domain. Prog. Biophys. Mol. Biol. 1995; 64(2-3): 221-35. PMID: 8987385, PII: S0079-6107(96)00005-3, ISSN: 0079-6107.
• Hansen AP, Petros AM, Meadows RP, Fesik SW. Backbone dynamics of a two-domain protein: 15N relaxation studies of the amino-terminal fragment of urokinase-type plasminogen activator. Biochemistry. 1994 Dec 12/27/1994; 33(51): 15418-24. PMID: 7803405, ISSN: 0006-2960.
• Liang H, Mao X, Olejniczak ET, Nettesheim DG, Yu L, Meadows RP, Thompson CB, Fesik SW. Solution structure of the ets domain of Fli-1 when bound to DNA. Nat. Struct. Biol. 1994 Dec; 1(12): 871-5. PMID: 7773776, ISSN: 1072-8368.
• Liang H, Olejniczak ET, Mao X, Nettesheim DG, Yu L, Thompson CB, Fesik SW. The secondary structure of the ets domain of human Fli-1 resembles that of the helix-turn-helix DNA-binding motif of the Escherichia coli catabolite gene activator protein. Proc. Natl. Acad. Sci. U.S.A. 1994 Nov 11/22/1994; 91(24): 11655-9. PMID: 7972119, PMCID: PMC45290, ISSN: 0027-8424.
• Yu L, Fesik SW. PH titration of the histidine residues of cyclophilin and FK506 binding protein in the absence and presence of immunosuppressant ligands. Biochim. Biophys. Acta. 1994 Nov 11/16/1994; 1209(1): 24-32. PMID: 7524680, PII: 0167-4838(94)90132-5, ISSN: 0006-3002.
• Logan TM, Zhou MM, Nettesheim DG, Meadows RP, Van Etten RL, Fesik SW. Solution structure of a low molecular weight protein tyrosine phosphatase. Biochemistry. 1994 Sep 9/20/1994; 33(37): 11087-96. PMID: 7727361, ISSN: 0006-2960.
• Harlan JE, Hajduk PJ, Yoon HS, Fesik SW. Pleckstrin homology domains bind to phosphatidylinositol-4,5-bisphosphate. Nature. 1994 Sep 9/8/1994; 371(6493): 168-70. PMID: 8072546, DOI: 10.1038/371168a0, ISSN: 0028-0836.
• Yoon HS, Hajduk PJ, Petros AM, Olejniczak ET, Meadows RP, Fesik SW. Solution structure of a pleckstrin-homology domain. Nature. 1994 Jun 6/23/1994; 369(6482): 672-5. PMID: 8208296, DOI: 10.1038/369672a0, ISSN: 0028-0836.
• Zhou MM, Logan TM, Thèriault Y, Van Etten RL, Fesik SW. Backbone 1H, 13C, and 15N assignments and secondary structure of bovine low molecular weight phosphotyrosyl protein phosphatase. Biochemistry. 1994 May 5/3/1994; 33(17): 5221-9. PMID: 8172896, ISSN: 0006-2960.
• Curley RW, Panigot MJ, Hansen AP, Fesik SW. Stereospecific assignments of glycine in proteins by stereospecific deuteration and 15N labeling. J. Biomol. NMR. 1994 May; 4(3): 335-40. PMID: 7517241, ISSN: 0925-2738.
• Yu L, Meadows RP, Wagner R, Fesik SW. NMR studies of the FK506 binding protein bound to a spin-labeled ascomycin analog. J Magn Reson B. 1994 May; 104(1): 77-80. PMID: 7517786, ISSN: 1064-1866.
• Hansen AP, Petros AM, Meadows RP, Nettesheim DG, Mazar AP, Olejniczak ET, Xu RX, Pederson TM, Henkin J, Fesik SW. Solution structure of the amino-terminal fragment of urokinase-type plasminogen activator. Biochemistry. 1994 Apr 4/26/1994; 33(16): 4847-64. PMID: 8161544, ISSN: 0006-2960.
• Logan TM, Thériault Y, Fesik SW. Structural characterization of the FK506 binding protein unfolded in urea and guanidine hydrochloride. J. Mol. Biol. 1994 Feb 2/18/1994; 236(2): 637-48. PMID: 7508991, PII: S0022-2836(84)71173-9, DOI: 10.1006/jmbi.1994.1173, ISSN: 0022-2836.
• Meadows RP, Olejniczak ET, Fesik SW. A computer-based protocol for semiautomated assignments and 3D structure determination of proteins. J. Biomol. NMR. 1994 Jan; 4(1): 79-96. PMID: 7510556, ISSN: 0925-2738.
• Petros AM, Fesik SW. Nuclear magnetic resonance methods for studying protein-ligand complexes. Meth. Enzymol. 1994; 239: 717-39. PMID: 7530321, PII: S0076-6879(94)39027-4, ISSN: 0076-6879.
• Yu L, Goldman R, Sullivan P, Walker GF, Fesik SW. Heteronuclear NMR studies of 13C-labeled yeast cell wall beta-glucan oligosaccharides. J. Biomol. NMR. 1993 Jul; 3(4): 429-41. PMID: 8400831, ISSN: 0925-2738.
• Fesik SW. NMR structure-based drug design. J. Biomol. NMR. 1993 May; 3(3): 261-9. PMID: 7689377, ISSN: 0925-2738.
• Xu RX, Nettesheim D, Olejniczak ET, Meadows R, Gemmecker G, Fesik SW. 1H, 13C, and 15N assignments and secondary structure of the FK506 binding protein when bound to ascomycin. Biopolymers. 1993 Apr; 33(4): 535-50. PMID: 7682113, DOI: 10.1002/bip.360330404, ISSN: 0006-3525.
• Xu RX, Meadows RP, Fesik SW. Heteronuclear 3D NMR studies of water bound to an FK506 binding protein/immunosuppressant complex. Biochemistry. 1993 Mar 3/16/1993; 32(10): 2473-80. PMID: 7680570, ISSN: 0006-2960.
• Egan DA, Logan TM, Liang H, Matayoshi E, Fesik SW, Holzman TF. Equilibrium denaturation of recombinant human FK binding protein in urea. Biochemistry. 1993 Mar 3/2/1993; 32(8): 1920-7. PMID: 7680574, ISSN: 0006-2960.
• Logan TM, Olejniczak ET, Xu RX, Fesik SW. A general method for assigning NMR spectra of denatured proteins using 3D HC(CO)NH-TOCSY triple resonance experiments. J. Biomol. NMR. 1993 Mar; 3(2): 225-31. PMID: 8477187, ISSN: 0925-2738.
• Meadows RP, Nettesheim DG, Xu RX, Olejniczak ET, Petros AM, Holzman TF, Severin J, Gubbins E, Smith H, Fesik SW. Three-dimensional structure of the FK506 binding protein/ascomycin complex in solution by heteronuclear three- and four-dimensional NMR. Biochemistry. 1993 Jan 1/26/1993; 32(3): 754-65. PMID: 7678499, ISSN: 0006-2960.
• Thériault Y, Logan TM, Meadows R, Yu L, Olejniczak ET, Holzman TF, Simmer RL, Fesik SW. Solution structure of the cyclosporin A/cyclophilin complex by NMR. Nature. 1993 Jan 1/7/1993; 361(6407): 88-91. PMID: 8421500, DOI: 10.1038/361088a0, ISSN: 0028-0836.
• Hansen AP, Petros AM, Mazar AP, Pederson TM, Rueter A, Fesik SW. A practical method for uniform isotopic labeling of recombinant proteins in mammalian cells. Biochemistry. 1992 Dec 12/29/1992; 31(51): 12713-8. PMID: 1463742, ISSN: 0006-2960.
• Logan TM, Olejniczak ET, Xu RX, Fesik SW. Side chain and backbone assignments in isotopically labeled proteins from two heteronuclear triple resonance experiments. FEBS Lett. 1992 Dec 12/21/1992; 314(3): 413-8. PMID: 1281793, PII: 0014-5793(92)81517-P, ISSN: 0014-5793.
• Olejniczak ET, Xu RX, Fesik SW. A 4D HCCH-TOCSY experiment for assigning the side chain 1H and 13C resonances of proteins. J. Biomol. NMR. 1992 Nov; 2(6): 655-9. PMID: 1283353, ISSN: 0925-2738.
• Petros AM, Kawai M, Luly JR, Fesik SW. Conformation of two non-immunosuppressive FK506 analogs when bound to FKBP by isotope-filtered NMR. FEBS Lett. 1992 Aug 8/24/1992; 308(3): 309-14. PMID: 1380470, PII: 0014-5793(92)81300-B, ISSN: 0014-5793.
• Xu RX, Olejniczak ET, Fesik SW. Stereospecific assignments and chi 1 rotamers for FKBP when bound to ascomycin from 3JH alpha,H beta and 3HN,H beta coupling constants. FEBS Lett. 1992 Jun 6/29/1992; 305(2): 137-43. PMID: 1377648, ISSN: 0014-5793.
• Petros AM, Gemmecker G, Neri P, Olejniczak ET, Nettesheim D, Xu RX, Gubbins EG, Smith H, Fesik SW. NMR studies of an FK-506 analog, [U-13C]ascomycin, bound to FK-506-binding protein. J. Med. Chem. 1992 Jun 6/26/1992; 35(13): 2467-73. PMID: 1377749, ISSN: 0022-2623.
• Edalji R, Pilot-Matias TJ, Pratt SD, Egan DA, Severin JM, Gubbins EG, Petros AM, Fesik SW, Burres NS, Holzman TF. High-level expression of recombinant human FK-binding protein from a fusion precursor. J. Protein Chem. 1992 Jun; 11(3): 213-23. PMID: 1382438, ISSN: 0277-8033.
• Petros AM, Neri P, Fesik SW. Identification of solvent-exposed regions of an FK-506 analog, ascomycin, bound to FKBP using a paramagnetic probe. J. Biomol. NMR. 1992 Jan; 2(1): 11-8. PMID: 1384850, ISSN: 0925-2738.
• Fesik SW. NMR studies of molecular complexes as a tool in drug design. J. Med. Chem. 1991 Oct; 34(10): 2937-45. PMID: 1920348, ISSN: 0022-2623.
• Neri P, Gemmecker G, Zydowsky LD, Walsh CT, Fesik SW. NMR studies of [U-13C]cyclosporin A bound to human cyclophilin B. FEBS Lett. 1991 Sep 9/23/1991; 290(1-2): 195-9. PMID: 1915874, PII: 0014-5793(91)81258-A, ISSN: 0014-5793.
• Fesik SW, Gampe RT, Eaton HL, Gemmecker G, Olejniczak ET, Neri P, Holzman TF, Egan DA, Edalji R, Simmer R. NMR studies of [U-13C]cyclosporin A bound to cyclophilin: bound conformation and portions of cyclosporin involved in binding. Biochemistry. 1991 Jul 7/2/1991; 30(26): 6574-83. PMID: 2054356, ISSN: 0006-2960.
• Makriyannis A, DiMeglio CM, Fesik SW. Anesthetic steroid mobility in model membrane preparations as examined by high-resolution 1H and 2H NMR spectroscopy. J. Med. Chem. 1991 May; 34(5): 1700-3. PMID: 2033593, ISSN: 0022-2623.
• Fesik SW, Gampe RT, Holzman TF, Egan DA, Edalji R, Luly JR, Simmer R, Helfrich R, Kishore V, Rich DH. Isotope-edited NMR of cyclosporin A bound to cyclophilin: evidence for a trans 9,10 amide bond. Science. 1990 Dec 12/7/1990; 250(4986): 1406-9. PMID: 2255910, ISSN: 0036-8075.
• Kohlbrenner WE, Carter CD, Fesik SW, Norbeck DW, Erickson J. Efficiency of phosphorylation of the cyclobut-G (A-69992) enantiomers by HSV-1 thymidine kinase does not correlate with their anti-herpesvirus activity. Biochem. Pharmacol. 1990 Dec 12/1/1990; 40(11): R5-10. PMID: 2176497, ISSN: 0006-2952.
• Fesik SW, Zuiderweg ER, Olejniczak ET, Gampe RT. NMR methods for determining the structures of enzyme/inhibitor complexes as an aid in drug design. Biochem. Pharmacol. 1990 Jul 7/1/1990; 40(1): 161-7. PMID: 2115336, PII: 0006-2952(90)90191-M, ISSN: 0006-2952.
• Fesik SW, Zuiderweg ER. Heteronuclear three-dimensional NMR spectroscopy of isotopically labelled biological macromolecules. Q. Rev. Biophys. 1990 May; 23(2): 97-131. PMID: 2188281, ISSN: 0033-5835.
• Goldman RC, Fesik SW, Doran CC. Role of protonated and neutral forms of macrolides in binding to ribosomes from gram-positive and gram-negative bacteria. Antimicrob. Agents Chemother. 1990 Mar; 34(3): 426-31. PMID: 2159256, PMCID: PMC171609, ISSN: 0066-4804.
• Eaton HL, Austin RE, Fesik SW, Martin SF. NMR study of the possible interaction in solution of angiotensin II with a peptide encoded by angiotensin II complementary RNA. Proc. Natl. Acad. Sci. U.S.A. 1989 Dec; 86(24): 9767-9. PMID: 2481315, PMCID: PMC298582, ISSN: 0027-8424.
• Zuiderweg ER, Fesik SW. Heteronuclear three-dimensional NMR spectroscopy of the inflammatory protein C5a. Biochemistry. 1989 Mar 3/21/1989; 28(6): 2387-91. PMID: 2730871, ISSN: 0006-2960.
• Fesik SW, Gampe RT, Zuiderweg ER, Kohlbrenner WE, Weigl D. Heteronuclear three-dimensional NMR spectroscopy applied to CMP-KDO synthetase (27.5 kD). Biochem. Biophys. Res. Commun. 1989 Mar 3/15/1989; 159(2): 842-7. PMID: 2539129, PII: 0006-291X(89)90071-5, ISSN: 0006-291X.
• Fesik SW, Luly JR, Erickson JW, Abad-Zapatero C. Isotope-edited proton NMR study on the structure of a pepsin/inhibitor complex. Biochemistry. 1988 Nov 11/1/1988; 27(22): 8297-301. PMID: 3149502, ISSN: 0006-2960.
• Olejniczak ET, Gampe RT, Rockway TW, Fesik SW. NMR study of the solution conformation of rat atrial natriuretic factor 7-23 in sodium dodecyl sulfate micelles. Biochemistry. 1988 Sep 9/6/1988; 27(18): 7124-31. PMID: 2973811, ISSN: 0006-2960.
• Rocque WJ, Fesik SW, Haug A, McGroarty EJ. Polycation binding to isolated lipopolysaccharide from antibiotic-hypersusceptible mutant strains of Escherichia coli. Antimicrob. Agents Chemother. 1988 Mar; 32(3): 308-13. PMID: 2835000, PMCID: PMC172165, ISSN: 0066-4804.
• Gampe RT, Connolly PJ, Rockway T, Fesik SW. Two-dimensional NMR studies of [Pro-10] atrial natriuretic factor [7-23]. Biopolymers. 1988 Feb; 27(2): 313-21. PMID: 2965921, DOI: 10.1002/bip.360270210, ISSN: 0006-3525.
• Sham HL, Bolis G, Stein HH, Fesik SW, Marcotte PA, Plattner JJ, Rempel CA, Greer J. Renin inhibitors. Design and synthesis of a new class of conformationally restricted analogues of angiotensinogen. J. Med. Chem. 1988 Feb; 31(2): 284-95. PMID: 3276890, ISSN: 0022-2623.
• Fesik SW, Luly JR, Stein HH, BaMaung N. Amide proton exchange rates of a bound pepsin inhibitor determined by isotope-edited proton NMR experiments. Biochem. Biophys. Res. Commun. 1987 Sep 9/30/1987; 147(3): 892-8. PMID: 2822045, PII: S0006-291X(87)80154-7, ISSN: 0006-291X.
• Fesik SW, Bolis G, Sham HL, Olejniczak ET. Structure refinement of a cyclic peptide from two-dimensional NMR data and molecular modeling. Biochemistry. 1987 Apr 4/7/1987; 26(7): 1851-9. PMID: 3297134, ISSN: 0006-2960.
• Kohlbrenner WE, Nuss MM, Fesik SW. 31P and 13C NMR studies of oxygen transfer during catalysis by 3-deoxy-D-manno-octulosonate cytidylyltransferase from Escherichia coli. J. Biol. Chem. 1987 Apr 4/5/1987; 262(10): 4534-7. PMID: 3031027, ISSN: 0021-9258.
• Peterson AA, Fesik SW, McGroarty EJ. Decreased binding of antibiotics to lipopolysaccharides from polymyxin-resistant strains of Escherichia coli and Salmonella typhimurium. Antimicrob. Agents Chemother. 1987 Feb; 31(2): 230-7. PMID: 3032093, PMCID: PMC174697, ISSN: 0066-4804.
• Kohlbrenner WE, Fesik SW. Determination of the anomeric specificity of the Escherichia coli CTP:CMP-3-deoxy-D-manno-octulosonate cytidylyltransferase by 13C NMR spectroscopy. J. Biol. Chem. 1985 Nov 11/25/1985; 260(27): 14695-700. PMID: 2997221, ISSN: 0021-9258.
• Fesik SW, Holleman WH, Perun TJ. Two-dimensional 1H NMR studies of rat atrial natriuretic factor(1-23). Biochem. Biophys. Res. Commun. 1985 Sep 9/16/1985; 131(2): 517-23. PMID: 2932103, PII: 0006-291X(85)91266-5, ISSN: 0006-291X.
• Herrin TR, Thomas AM, Perun TJ, Mao JC, Fesik SW. Preparation of biologically active ristocetin derivatives: replacements of the 1′-amino group. J. Med. Chem. 1985 Sep; 28(9): 1371-5. PMID: 4032439, ISSN: 0022-2623.
• Fesik SW, Makriyannis A. Geometric requirements for membrane perturbation and anesthetic activity. Conformational analysis of alphaxalone and delta 16-alphaxalone and 2H NMR studies on their interactions with model membranes. Mol. Pharmacol. 1985 Jun; 27(6): 624-9. PMID: 4000106, ISSN: 0026-895X.
• Fesik SW, Armitage IM, Ellestad GA, McGahren WJ. Nuclear magnetic resonance studies on the antibiotic avoparcin, Conformational properties in relation to antibacterial activity. Mol. Pharmacol. 1984 Mar; 25(2): 275-80. PMID: 6700573, ISSN: 0026-895X.
• Fesik SW, Armitage IM, Ellestad GA, McGahren WJ. Nuclear magnetic resonance studies on the interaction of avoparcin with model receptors of bacterial cell walls. Mol. Pharmacol. 1984 Mar; 25(2): 281-6. PMID: 6700574, ISSN: 0026-895X.
• Hunt CT, Boulanger Y, Fesik SW, Armitage IM. NMR analysis of the structure and metal sequestering properties of metallothioneins. Environ. Health Perspect. 1984 Mar; 54: 135-45. PMID: 6734553, PMCID: PMC1568177, ISSN: 0091-6765.
• Strain SM, Fesik SW, Armitage IM. Structure and metal-binding properties of lipopolysaccharides from heptoseless mutants of Escherichia coli studied by 13C and 31P nuclear magnetic resonance. J. Biol. Chem. 1983 Nov 11/25/1983; 258(22): 13466-77. PMID: 6358205, ISSN: 0021-9258.
• Makriyannis A, Fesik S. Mechanism of steroid anesthetic action: interactions of alphaxalone and delta 16-alphaxalone with bilayer vesicles. J. Med. Chem. 1983 Apr; 26(4): 463-5. PMID: 6834378, ISSN: 0022-2623.
• Strain SM, Fesik SW, Armitage IM. Characterization of lipopolysaccharide from a heptoseless mutant of Escherichia coli by carbon 13 nuclear magnetic resonance. J. Biol. Chem. 1983 Mar 3/10/1983; 258(5): 2906-10. PMID: 6338007, ISSN: 0021-9258.
• Boulanger Y, Goodman CM, Forte CP, Fesik SW, Armitage IM. Model for mammalian metallothionein structure. Proc. Natl. Acad. Sci. U.S.A. 1983 Mar; 80(6): 1501-5. PMID: 6572910, PMCID: PMC393629, ISSN: 0027-8424.
• de Jong AP, Fesik SW, Makriyannis A. Conformational requirements for norepinephrine uptake inhibition by phenethylamines in brain synaptosomes. Effects of alpha-alkyl substitution. J. Med. Chem. 1982 Dec; 25(12): 1438-41. PMID: 7154004, ISSN: 0022-2623.
• Weintraub HJ, Nichols DE, Makriyannis A, Fesik SW. Conformational energy differences between side chain alkylated analogues of the hallucinogen 1-(2,5-dimethoxy-4-methylphenyl)-2-aminopropane. J. Med. Chem. 1980 Mar; 23(3): 339-41. PMID: 7365752, ISSN: 0022-2623.
• Makriyannis A, Fesik SW. Effects of anesthetics on sulfate transport in the red cell. J. Neurosci. Res. 1980; 5(1): 25-33. PMID: 7381978, DOI: 10.1002/jnr.490050105, ISSN: 0360-4012.