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Comparative modeling and docking of chemokine-receptor interactions with Rosetta.

Wedemeyer MJ, Mueller BK, Bender BJ, Meiler J, Volkman BF.

Biochem Biophys Res Commun. 2020 Jan 7. pii: S0006-291X(19)32406-4. doi: 10.1016/j.bbrc.2019.12.076. [Epub ahead of print]


Dynamic control of plant water use using designed ABA receptor agonists.

Vaidya AS, Helander JDM, Peterson FC, Elzinga D, Dejonghe W, Kaundal A, Park SY, Xing Z, Mega R, Takeuchi J, Khanderahoo B, Bishay S, Volkman BF, Todoroki Y, Okamoto M, Cutler SR.

Science. 2019 Oct 25;366(6464). pii: eaaw8848. doi: 10.1126/science.aaw8848.


Structure-function guided modeling of chemokine-GPCR specificity for the chemokine XCL1 and its receptor XCR1.

Fox JC, Thomas MA, Dishman AF, Larsen O, Nakayama T, Yoshie O, Rosenkilde MM, Volkman BF.

Sci Signal. 2019 Sep 3;12(597). pii: eaat4128. doi: 10.1126/scisignal.aat4128.


What doesn't kill you makes you stranger: Dipeptidyl peptidase-4 (CD26) proteolysis differentially modulates the activity of many peptide hormones and cytokines generating novel cryptic bioactive ligands.

Elmansi AM, Awad ME, Eisa NH, Kondrikov D, Hussein KA, Aguilar-Pérez A, Herberg S, Periyasamy-Thandavan S, Fulzele S, Hamrick MW, McGee-Lawrence ME, Isales CM, Volkman BF, Hill WD.

Pharmacol Ther. 2019 Jun;198:90-108. doi: 10.1016/j.pharmthera.2019.02.005. Epub 2019 Feb 10.


Modeling the complete chemokine-receptor interaction.

Wedemeyer MJ, Mueller BK, Bender BJ, Meiler J, Volkman BF.

Methods Cell Biol. 2019;149:289-314. doi: 10.1016/bs.mcb.2018.09.005. Epub 2018 Nov 1.


Solution NMR spectroscopy of GPCRs: Residue-specific labeling strategies with a focus on 13C-methyl methionine labeling of the atypical chemokine receptor ACKR3.

Kleist AB, Peterson F, Tyler RC, Gustavsson M, Handel TM, Volkman BF.

Methods Cell Biol. 2019;149:259-288. doi: 10.1016/bs.mcb.2018.09.004. Epub 2018 Nov 15.


Biased antagonism of CXCR4 avoids antagonist tolerance.

Hitchinson B, Eby JM, Gao X, Guite-Vinet F, Ziarek JJ, Abdelkarim H, Lee Y, Okamoto Y, Shikano S, Majetschak M, Heveker N, Volkman BF, Tarasova NI, Gaponenko V.

Sci Signal. 2018 Oct 16;11(552). pii: eaat2214. doi: 10.1126/scisignal.aat2214.


Partial agonist activity of α1-adrenergic receptor antagonists for chemokine (C-X-C motif) receptor 4 and atypical chemokine receptor 3.

Gao X, Abdelkarim H, Albee LJ, Volkman BF, Gaponenko V, Majetschak M.

PLoS One. 2018 Sep 24;13(9):e0204041. doi: 10.1371/journal.pone.0204041. eCollection 2018.


Mutational analysis of CCL20 reveals flexibility of N-terminal amino acid composition and length.

Riutta SJ, Larsen O, Getschman AE, Rosenkilde MM, Hwang ST, Volkman BF.

J Leukoc Biol. 2018 Aug;104(2):423-434. doi: 10.1002/JLB.1VMA0218-049R.


The Solution Structure of CCL28 Reveals Structural Lability that Does Not Constrain Antifungal Activity.

Thomas MA, He J, Peterson FC, Huppler AR, Volkman BF.

J Mol Biol. 2018 Sep 14;430(18 Pt B):3266-3282. doi: 10.1016/j.jmb.2018.06.001. Epub 2018 Jun 15.


Decoding the chemotactic signal.

Thomas MA, Kleist AB, Volkman BF.

J Leukoc Biol. 2018 Aug;104(2):359-374. doi: 10.1002/JLB.1MR0218-044. Epub 2018 Jun 6. Review.


Unfolding the Mysteries of Protein Metamorphosis.

Dishman AF, Volkman BF.

ACS Chem Biol. 2018 Jun 15;13(6):1438-1446. doi: 10.1021/acschembio.8b00276. Epub 2018 Jun 7. Review.


Asymmetrical ligand-induced cross-regulation of chemokine (C-X-C motif) receptor 4 by α1-adrenergic receptors at the heteromeric receptor complex.

Gao X, Albee LJ, Volkman BF, Gaponenko V, Majetschak M.

Sci Rep. 2018 Feb 9;8(1):2730. doi: 10.1038/s41598-018-21096-4.


Identification and functional characterization of arginine vasopressin receptor 1A : atypical chemokine receptor 3 heteromers in vascular smooth muscle.

Albee LJ, LaPorte HM, Gao X, Eby JM, Cheng YH, Nevins AM, Volkman BF, Gaponenko V, Majetschak M.

Open Biol. 2018 Jan;8(1). pii: 170207. doi: 10.1098/rsob.170207.


Different contributions of chemokine N-terminal features attest to a different ligand binding mode and a bias towards activation of ACKR3/CXCR7 compared with CXCR4 and CXCR3.

Szpakowska M, Nevins AM, Meyrath M, Rhainds D, D'huys T, Guité-Vinet F, Dupuis N, Gauthier PA, Counson M, Kleist A, St-Onge G, Hanson J, Schols D, Volkman BF, Heveker N, Chevigné A.

Br J Pharmacol. 2018 May;175(9):1419-1438. doi: 10.1111/bph.14132. Epub 2018 Mar 23.


Development and Validation of 2D Difference Intensity Analysis for Chemical Library Screening by Protein-Detected NMR Spectroscopy.

Egner JM, Jensen DR, Olp MD, Kennedy NW, Volkman BF, Peterson FC, Smith BC, Hill RB.

Chembiochem. 2018 Mar 2;19(5):448-458. doi: 10.1002/cbic.201700386. Epub 2018 Jan 25.


Effects of cognate, non-cognate and synthetic CXCR4 and ACKR3 ligands on human lung endothelial cell barrier function.

Cheng YH, Eby JM, LaPorte HM, Volkman BF, Majetschak M.

PLoS One. 2017 Nov 10;12(11):e0187949. doi: 10.1371/journal.pone.0187949. eCollection 2017.


Protein engineering of the chemokine CCL20 prevents psoriasiform dermatitis in an IL-23-dependent murine model.

Getschman AE, Imai Y, Larsen O, Peterson FC, Wu X, Rosenkilde MM, Hwang ST, Volkman BF.

Proc Natl Acad Sci U S A. 2017 Nov 21;114(47):12460-12465. doi: 10.1073/pnas.1704958114. Epub 2017 Nov 6.


A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration.

Vaidya AS, Peterson FC, Yarmolinsky D, Merilo E, Verstraeten I, Park SY, Elzinga D, Kaundal A, Helander J, Lozano-Juste J, Otani M, Wu K, Jensen DR, Kollist H, Volkman BF, Cutler SR.

ACS Chem Biol. 2017 Nov 17;12(11):2842-2848. doi: 10.1021/acschembio.7b00650. Epub 2017 Oct 18.


Differences in Sulfotyrosine Binding amongst CXCR1 and CXCR2 Chemokine Ligands.

Moussouras NA, Getschman AE, Lackner ER, Veldkamp CT, Dwinell MB, Volkman BF.

Int J Mol Sci. 2017 Sep 3;18(9). pii: E1894. doi: 10.3390/ijms18091894.


α1-Adrenergic Receptors Function Within Hetero-Oligomeric Complexes With Atypical Chemokine Receptor 3 and Chemokine (C-X-C motif) Receptor 4 in Vascular Smooth Muscle Cells.

Albee LJ, Eby JM, Tripathi A, LaPorte HM, Gao X, Volkman BF, Gaponenko V, Majetschak M.

J Am Heart Assoc. 2017 Aug 17;6(8). pii: e006575. doi: 10.1161/JAHA.117.006575.


CCR7 Sulfotyrosine Enhances CCL21 Binding.

Phillips AJ, Taleski D, Koplinski CA, Getschman AE, Moussouras NA, Richard AM, Peterson FC, Dwinell MB, Volkman BF, Payne RJ, Veldkamp CT.

Int J Mol Sci. 2017 Aug 25;18(9). pii: E1857. doi: 10.3390/ijms18091857.


Structure and Dimerization of IreB, a Negative Regulator of Cephalosporin Resistance in Enterococcus faecalis.

Hall CL, Lytle BL, Jensen D, Hoff JS, Peterson FC, Volkman BF, Kristich CJ.

J Mol Biol. 2017 Jul 21;429(15):2324-2336. doi: 10.1016/j.jmb.2017.05.019. Epub 2017 May 24.


Functional and structural consequences of chemokine (C-X-C motif) receptor 4 activation with cognate and non-cognate agonists.

Eby JM, Abdelkarim H, Albee LJ, Tripathi A, Gao X, Volkman BF, Gaponenko V, Majetschak M.

Mol Cell Biochem. 2017 Oct;434(1-2):143-151. doi: 10.1007/s11010-017-3044-7. Epub 2017 Apr 28.


Structural basis for chemokine recognition by a G protein-coupled receptor and implications for receptor activation.

Ziarek JJ, Kleist AB, London N, Raveh B, Montpas N, Bonneterre J, St-Onge G, DiCosmo-Ponticello CJ, Koplinski CA, Roy I, Stephens B, Thelen S, Veldkamp CT, Coffman FD, Cohen MC, Dwinell MB, Thelen M, Peterson FC, Heveker N, Volkman BF.

Sci Signal. 2017 Mar 21;10(471). pii: eaah5756. doi: 10.1126/scisignal.aah5756.


NMR Structure of the C-Terminal Transmembrane Domain of the HDL Receptor, SR-BI, and a Functionally Relevant Leucine Zipper Motif.

Chadwick AC, Jensen DR, Hanson PJ, Lange PT, Proudfoot SC, Peterson FC, Volkman BF, Sahoo D.

Structure. 2017 Mar 7;25(3):446-457. doi: 10.1016/j.str.2017.01.001. Epub 2017 Feb 2.


Exploiting agonist biased signaling of chemokines to target cancer.

Roy I, Getschman AE, Volkman BF, Dwinell MB.

Mol Carcinog. 2017 Mar;56(3):804-813. doi: 10.1002/mc.22571. Epub 2016 Oct 4.


Crystallographic Structure of Truncated CCL21 and the Putative Sulfotyrosine-Binding Site.

Smith EW, Lewandowski EM, Moussouras NA, Kroeck KG, Volkman BF, Veldkamp CT, Chen Y.

Biochemistry. 2016 Oct 11;55(40):5746-5753. Epub 2016 Sep 26.


Evolution of a Protein Interaction Domain Family by Tuning Conformational Flexibility.

Whitney DS, Volkman BF, Prehoda KE.

J Am Chem Soc. 2016 Nov 23;138(46):15150-15156. Epub 2016 Aug 25.


Tyrosine-sulfated V2 peptides inhibit HIV-1 infection via coreceptor mimicry.

Cimbro R, Peterson FC, Liu Q, Guzzo C, Zhang P, Miao H, Van Ryk D, Ambroggio X, Hurt DE, De Gioia L, Volkman BF, Dolan MA, Lusso P.

EBioMedicine. 2016 Aug;10:45-54. doi: 10.1016/j.ebiom.2016.06.037. Epub 2016 Jun 26.


New Insights into Mechanisms and Functions of Chemokine (C-X-C Motif) Receptor 4 Heteromerization in Vascular Smooth Muscle.

Evans AE, Tripathi A, LaPorte HM, Brueggemann LI, Singh AK, Albee LJ, Byron KL, Tarasova NI, Volkman BF, Cho TY, Gaponenko V, Majetschak M.

Int J Mol Sci. 2016 Jun 20;17(5). pii: E971. doi: 10.3390/ijms17060971.


A Requirement for Metamorphic Interconversion in the Antimicrobial Activity of Chemokine XCL1.

Nevins AM, Subramanian A, Tapia JL, Delgado DP, Tyler RC, Jensen DR, Ouellette AJ, Volkman BF.

Biochemistry. 2016 Jul 12;55(27):3784-93. doi: 10.1021/acs.biochem.6b00353. Epub 2016 Jun 28.


New paradigms in chemokine receptor signal transduction: Moving beyond the two-site model.

Kleist AB, Getschman AE, Ziarek JJ, Nevins AM, Gauthier PA, Chevigné A, Szpakowska M, Volkman BF.

Biochem Pharmacol. 2016 Aug 15;114:53-68. doi: 10.1016/j.bcp.2016.04.007. Epub 2016 Apr 19. Review.


Structure-Based Identification of Novel Ligands Targeting Multiple Sites within a Chemokine-G-Protein-Coupled-Receptor Interface.

Smith EW, Nevins AM, Qiao Z, Liu Y, Getschman AE, Vankayala SL, Kemp MT, Peterson FC, Li R, Volkman BF, Chen Y.

J Med Chem. 2016 May 12;59(9):4342-51. doi: 10.1021/acs.jmedchem.5b02042. Epub 2016 Apr 14.


Correction to Binding of Crumbs to the Par-6 CRIB-PDZ Module Is Regulated by Cdc42.

Whitney DS, Peterson FC, Kittell AW, Egner JM, Prehoda KE, Volkman BF.

Biochemistry. 2016 Apr 5;55(13):2063. doi: 10.1021/acs.biochem.6b00254. Epub 2016 Mar 25. No abstract available.


Production of Recombinant Chemokines and Validation of Refolding.

Veldkamp CT, Koplinski CA, Jensen DR, Peterson FC, Smits KM, Smith BL, Johnson SK, Lettieri C, Buchholz WG, Solheim JC, Volkman BF.

Methods Enzymol. 2016;570:539-65. doi: 10.1016/bs.mie.2015.09.031. Epub 2015 Nov 14.


Binding of Crumbs to the Par-6 CRIB-PDZ Module Is Regulated by Cdc42.

Whitney DS, Peterson FC, Kittell AW, Egner JM, Prehoda KE, Volkman BF.

Biochemistry. 2016 Mar 15;55(10):1455-61. doi: 10.1021/acs.biochem.5b01342. Epub 2016 Mar 3. Erratum in: Biochemistry. 2016 Apr 5;55(13):2063.


Examination of Glycosaminoglycan Binding Sites on the XCL1 Dimer.

Fox JC, Tyler RC, Peterson FC, Dyer DP, Zhang F, Linhardt RJ, Handel TM, Volkman BF.

Biochemistry. 2016 Mar 1;55(8):1214-25. doi: 10.1021/acs.biochem.5b01329. Epub 2016 Feb 17.


Correction: Evolution of an ancient protein function involved in organized multicellularity in animals.

Anderson DP, Whitney DS, Hanson-Smith V, Woznica A, Campodonico-Burnett W, Volkman BF, King N, Thornton JW, Prehoda KE.

Elife. 2016 Jan 21;5:e14311. doi: 10.7554/eLife.14311. No abstract available.


Evolution of an ancient protein function involved in organized multicellularity in animals.

Anderson DP, Whitney DS, Hanson-Smith V, Woznica A, Campodonico-Burnett W, Volkman BF, King N, Thornton JW, Prehoda KE.

Elife. 2016 Jan 7;5:e10147. doi: 10.7554/eLife.10147. Erratum in: Elife. 2016;5:e14311.


Polysialylation controls dendritic cell trafficking by regulating chemokine recognition.

Kiermaier E, Moussion C, Veldkamp CT, Gerardy-Schahn R, de Vries I, Williams LG, Chaffee GR, Phillips AJ, Freiberger F, Imre R, Taleski D, Payne RJ, Braun A, Förster R, Mechtler K, Mühlenhoff M, Volkman BF, Sixt M.

Science. 2016 Jan 8;351(6269):186-90. doi: 10.1126/science.aad0512. Epub 2015 Dec 10.


The dependence of chemokine-glycosaminoglycan interactions on chemokine oligomerization.

Dyer DP, Salanga CL, Volkman BF, Kawamura T, Handel TM.

Glycobiology. 2016 Mar;26(3):312-26. doi: 10.1093/glycob/cwv100. Epub 2015 Nov 17.


The association and aggregation of the metamorphic chemokine lymphotactin with fondaparinux: from nm molecular complexes to μm molecular assemblies.

Harvey SR, MacPhee CE, Volkman BF, Barran PE.

Chem Commun (Camb). 2016 Jan 7;52(2):394-7. doi: 10.1039/c5cc05801e. Epub 2015 Nov 2.


Pancreatic Cancer Cell Migration and Metastasis Is Regulated by Chemokine-Biased Agonism and Bioenergetic Signaling.

Roy I, McAllister DM, Gorse E, Dixon K, Piper CT, Zimmerman NP, Getschman AE, Tsai S, Engle DD, Evans DB, Volkman BF, Kalyanaraman B, Dwinell MB.

Cancer Res. 2015 Sep 1;75(17):3529-42. doi: 10.1158/0008-5472.CAN-14-2645.


Engineering Metamorphic Chemokine Lymphotactin/XCL1 into the GAG-Binding, HIV-Inhibitory Dimer Conformation.

Fox JC, Tyler RC, Guzzo C, Tuinstra RL, Peterson FC, Lusso P, Volkman BF.

ACS Chem Biol. 2015 Nov 20;10(11):2580-8. doi: 10.1021/acschembio.5b00542. Epub 2015 Sep 2.


Cytokines and growth factors cross-link heparan sulfate.

Migliorini E, Thakar D, Kühnle J, Sadir R, Dyer DP, Li Y, Sun C, Volkman BF, Handel TM, Coche-Guerente L, Fernig DG, Lortat-Jacob H, Richter RP.

Open Biol. 2015 Aug;5(8). pii: 150046. doi: 10.1098/rsob.150046.


Some (dis)assembly required: partial unfolding in the Par-6 allosteric switch.

Whitney DS, Volkman BF.

Biophys Rev. 2015 Jun 1;7(2):183-190.


Interplay of Electrostatics and Hydrophobic Effects in the Metamorphic Protein Human Lymphotactin.

Korkmaz EN, Volkman BF, Cui Q.

J Phys Chem B. 2015 Jul 30;119(30):9547-58. doi: 10.1021/acs.jpcb.5b02810. Epub 2015 Jul 16.


Structural Determinants for the Selective Anti-HIV-1 Activity of the All-β Alternative Conformer of XCL1.

Guzzo C, Fox JC, Miao H, Volkman BF, Lusso P.

J Virol. 2015 Sep;89(17):9061-7. doi: 10.1128/JVI.01285-15. Epub 2015 Jun 17.


The aspartate-less receiver (ALR) domains: distribution, structure and function.

Maule AF, Wright DP, Weiner JJ, Han L, Peterson FC, Volkman BF, Silvaggi NR, Ulijasz AT.

PLoS Pathog. 2015 Apr 13;11(4):e1004795. doi: 10.1371/journal.ppat.1004795. eCollection 2015 Apr. Erratum in: PLoS Pathog. 2015 Jun;11(6):e1004951.

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