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Items: 32


The Role of Micronutrients in Graft-VS.-Host Disease: Immunomodulatory Effects of Vitamins A and D.

Chen X, Mayne CG.

Front Immunol. 2018 Dec 6;9:2853. doi: 10.3389/fimmu.2018.02853. eCollection 2018. Review.


The SERM/SERD bazedoxifene disrupts ESR1 helix 12 to overcome acquired hormone resistance in breast cancer cells.

Fanning SW, Jeselsohn R, Dharmarajan V, Mayne CG, Karimi M, Buchwalter G, Houtman R, Toy W, Fowler CE, Han R, Lainé M, Carlson KE, Martin TA, Nowak J, Nwachukwu JC, Hosfield DJ, Chandarlapaty S, Tajkhorshid E, Nettles KW, Griffin PR, Shen Y, Katzenellenbogen JA, Brown M, Greene GL.

Elife. 2018 Nov 29;7. pii: e37161. doi: 10.7554/eLife.37161.


Antagonists for Constitutively Active Mutant Estrogen Receptors: Insights into the Roles of Antiestrogen-Core and Side-Chain.

Sharma A, Toy W, Guillen VS, Sharma N, Min J, Carlson KE, Mayne CG, Lin S, Sabio M, Greene G, Katzenellenbogen BS, Chandarlapaty S, Katzenellenbogen JA.

ACS Chem Biol. 2018 Dec 21;13(12):3374-3384. doi: 10.1021/acschembio.8b00877. Epub 2018 Nov 26.


Publisher Correction: Structural underpinnings of oestrogen receptor mutations in endocrine therapy resistance.

Katzenellenbogen JA, Mayne CG, Katzenellenbogen BS, Greene GL, Chandarlapaty S.

Nat Rev Cancer. 2018 Oct;18(10):662. doi: 10.1038/s41568-018-0053-0.


A model of TH17-associated ileal hyperplasia that requires both IL-17A and IFNγ to generate self-tolerance and prevent colitis.

Jeschke JC, Mayne CG, Ziegelbauer J, DeCiantis CL, Singh S, Kumar SN, Suchi M, Iwakura Y, Drobyski WR, Salzman NH, Williams CB.

Mucosal Immunol. 2018 Jul;11(4):1127-1137. doi: 10.1038/s41385-018-0023-6. Epub 2018 May 4.


A "cross-stitched" peptide with improved helicity and proteolytic stability.

Speltz TE, Mayne CG, Fanning SW, Siddiqui Z, Tajkhorshid E, Greene GL, Moore TW.

Org Biomol Chem. 2018 May 23;16(20):3702-3706. doi: 10.1039/c8ob00790j.


Structural underpinnings of oestrogen receptor mutations in endocrine therapy resistance.

Katzenellenbogen JA, Mayne CG, Katzenellenbogen BS, Greene GL, Chandarlapaty S.

Nat Rev Cancer. 2018 Jun;18(6):377-388. doi: 10.1038/s41568-018-0001-z. Review. Erratum in: Nat Rev Cancer. 2018 Oct;18(10):662.


Adamantyl Antiestrogens with Novel Side Chains Reveal a Spectrum of Activities in Suppressing Estrogen Receptor Mediated Activities in Breast Cancer Cells.

Min J, Guillen VS, Sharma A, Zhao Y, Ziegler Y, Gong P, Mayne CG, Srinivasan S, Kim SH, Carlson KE, Nettles KW, Katzenellenbogen BS, Katzenellenbogen JA.

J Med Chem. 2017 Jul 27;60(14):6321-6336. doi: 10.1021/acs.jmedchem.7b00585. Epub 2017 Jul 14.


A membrane-embedded pathway delivers general anesthetics to two interacting binding sites in the Gloeobacter violaceus ion channel.

Arcario MJ, Mayne CG, Tajkhorshid E.

J Biol Chem. 2017 Jun 9;292(23):9480-9492. doi: 10.1074/jbc.M117.780197. Epub 2017 Apr 18.


Microscopic Characterization of Membrane Transporter Function by In Silico Modeling and Simulation.

Vermaas JV, Trebesch N, Mayne CG, Thangapandian S, Shekhar M, Mahinthichaichan P, Baylon JL, Jiang T, Wang Y, Muller MP, Shinn E, Zhao Z, Wen PC, Tajkhorshid E.

Methods Enzymol. 2016;578:373-428. doi: 10.1016/bs.mie.2016.05.042. Epub 2016 Jul 11. Review.


Design of pathway preferential estrogens that provide beneficial metabolic and vascular effects without stimulating reproductive tissues.

Madak-Erdogan Z, Kim SH, Gong P, Zhao YC, Zhang H, Chambliss KL, Carlson KE, Mayne CG, Shaul PW, Korach KS, Katzenellenbogen JA, Katzenellenbogen BS.

Sci Signal. 2016 May 24;9(429):ra53. doi: 10.1126/scisignal.aad8170.


The cellular membrane as a mediator for small molecule interaction with membrane proteins.

Mayne CG, Arcario MJ, Mahinthichaichan P, Baylon JL, Vermaas JV, Navidpour L, Wen PC, Thangapandian S, Tajkhorshid E.

Biochim Biophys Acta. 2016 Oct;1858(10):2290-2304. doi: 10.1016/j.bbamem.2016.04.016. Epub 2016 May 6.


Adaptive Multilevel Splitting Method for Molecular Dynamics Calculation of Benzamidine-Trypsin Dissociation Time.

Teo I, Mayne CG, Schulten K, Lelièvre T.

J Chem Theory Comput. 2016 Jun 14;12(6):2983-9. doi: 10.1021/acs.jctc.6b00277. Epub 2016 May 18.


All-Atom Molecular Dynamics of Virus Capsids as Drug Targets.

Perilla JR, Hadden JA, Goh BC, Mayne CG, Schulten K.

J Phys Chem Lett. 2016 May 19;7(10):1836-44. doi: 10.1021/acs.jpclett.6b00517. Epub 2016 May 4.


Flexibility Coexists with Shape-Persistence in Cyanostar Macrocycles.

Liu Y, Singharoy A, Mayne CG, Sengupta A, Raghavachari K, Schulten K, Flood AH.

J Am Chem Soc. 2016 Apr 13;138(14):4843-4851. doi: 10.1021/jacs.6b00712. Epub 2016 Apr 5.


Stapled Peptides with γ-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.

Speltz TE, Fanning SW, Mayne CG, Fowler C, Tajkhorshid E, Greene GL, Moore TW.

Angew Chem Int Ed Engl. 2016 Mar 18;55(13):4252-5. doi: 10.1002/anie.201510557. Epub 2016 Mar 1.


Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.

Fanning SW, Mayne CG, Dharmarajan V, Carlson KE, Martin TA, Novick SJ, Toy W, Green B, Panchamukhi S, Katzenellenbogen BS, Tajkhorshid E, Griffin PR, Shen Y, Chandarlapaty S, Katzenellenbogen JA, Greene GL.

Elife. 2016 Feb 2;5. pii: e12792. doi: 10.7554/eLife.12792.


Preparation of o-Fluorophenols from Nonaromatic Precursors: Mechanistic Considerations for Adaptation to Fluorine-18 Radiolabeling.

Yasui N, Mayne CG, Katzenellenbogen JA.

Org Lett. 2015 Nov 20;17(22):5540-3. doi: 10.1021/acs.orglett.5b02640. Epub 2015 Nov 4.


Vitamin D and estrogen synergy in Vdr-expressing CD4(+) T cells is essential to induce Helios(+)FoxP3(+) T cells and prevent autoimmune demyelinating disease.

Spanier JA, Nashold FE, Mayne CG, Nelson CD, Hayes CE.

J Neuroimmunol. 2015 Sep 15;286:48-58. doi: 10.1016/j.jneuroim.2015.06.015. Epub 2015 Jul 4.


Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands.

Durrant JD, Carlson KE, Martin TA, Offutt TL, Mayne CG, Katzenellenbogen JA, Amaro RE.

J Chem Inf Model. 2015 Sep 28;55(9):1953-61. doi: 10.1021/acs.jcim.5b00241. Epub 2015 Sep 4.


Ligand Accessibility and Bioactivity of a Hormone-Dendrimer Conjugate Depend on pH and pH History.

Kim SH, Madak-Erdogan Z, Bae SC, Carlson KE, Mayne CG, Granick S, Katzenellenbogen BS, Katzenellenbogen JA.

J Am Chem Soc. 2015 Aug 19;137(32):10326-35. doi: 10.1021/jacs.5b05952. Epub 2015 Aug 10.


Macromolecular Crystallography for Synthetic Abiological Molecules: Combining xMDFF and PHENIX for Structure Determination of Cyanostar Macrocycles.

Singharoy A, Venkatakrishnan B, Liu Y, Mayne CG, Lee S, Chen CH, Zlotnick A, Schulten K, Flood AH.

J Am Chem Soc. 2015 Jul 15;137(27):8810-8. doi: 10.1021/jacs.5b04407. Epub 2015 Jun 29.



Aristoff D, Lelièvre T, Mayne CG, Teo I.

ESAIM Proc Surv. 2015 Jan;48:215-225.


Atomistic models of general anesthetics for use in in silico biological studies.

Arcario MJ, Mayne CG, Tajkhorshid E.

J Phys Chem B. 2014 Oct 23;118(42):12075-86. doi: 10.1021/jp502716m. Epub 2014 Oct 10.


Rapid parameterization of small molecules using the Force Field Toolkit.

Mayne CG, Saam J, Schulten K, Tajkhorshid E, Gumbart JC.

J Comput Chem. 2013 Dec 15;34(32):2757-70. doi: 10.1002/jcc.23422. Epub 2013 Sep 2.


Induced and natural regulatory T cells in the development of inflammatory bowel disease.

Mayne CG, Williams CB.

Inflamm Bowel Dis. 2013 Jul;19(8):1772-88. doi: 10.1097/MIB.0b013e318281f5a3. Review.


1,25-Dihydroxyvitamin D3 acts directly on the T lymphocyte vitamin D receptor to inhibit experimental autoimmune encephalomyelitis.

Mayne CG, Spanier JA, Relland LM, Williams CB, Hayes CE.

Eur J Immunol. 2011 Mar;41(3):822-32. doi: 10.1002/eji.201040632. Epub 2011 Feb 1.


Imaging progesterone receptor in breast tumors: synthesis and receptor binding affinity of fluoroalkyl-substituted analogues of tanaproget.

Zhou HB, Lee JH, Mayne CG, Carlson KE, Katzenellenbogen JA.

J Med Chem. 2010 Apr 22;53(8):3349-60. doi: 10.1021/jm100052k.


Minireview: Not picking pockets: nuclear receptor alternate-site modulators (NRAMs).

Moore TW, Mayne CG, Katzenellenbogen JA.

Mol Endocrinol. 2010 Apr;24(4):683-95. doi: 10.1210/me.2009-0362. Epub 2009 Nov 20. Review.


Murine BAFF-receptor residues 168-175 are essential for optimal CD21/35 expression but dispensable for B cell survival.

Mayne CG, Amanna IJ, Hayes CE.

Mol Immunol. 2009 Dec;47(2-3):590-9. doi: 10.1016/j.molimm.2009.09.010. Epub 2009 Oct 7.


Altered BAFF-receptor signaling and additional modifier loci contribute to systemic autoimmunity in A/WySnJ mice.

Mayne CG, Nashold FE, Sasaki Y, Hayes CE.

Eur J Immunol. 2009 Feb;39(2):589-99. doi: 10.1002/eji.200838569.


Systemic autoimmunity in BAFF-R-mutant A/WySnJ strain mice.

Mayne CG, Amanna IJ, Nashold FE, Hayes CE.

Eur J Immunol. 2008 Feb;38(2):587-98. doi: 10.1002/eji.200737817.

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