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Items: 31

1.

Druggability assessment of mammalian Per-Arnt-Sim [PAS] domains using computational approaches.

de Souza JV, Reznikov S, Zhu R, Bronowska AK.

Medchemcomm. 2019 May 13;10(7):1126-1137. doi: 10.1039/c9md00148d. eCollection 2019 Jul 1.

PMID:
31391885
2.

Duplex Healing of Selectively Thiolated Guanosine Mismatches through a Cd2+ Chemical Stimulus.

Lunn SML, Hribesh S, Whitfield CJ, Hall MJ, Houlton A, Bronowska AK, Tuite EM, Pike AR.

Chembiochem. 2018 Mar 25. doi: 10.1002/cbic.201800100. [Epub ahead of print]

PMID:
29575493
3.

Autoregulation of von Willebrand factor function by a disulfide bond switch.

Butera D, Passam F, Ju L, Cook KM, Woon H, Aponte-Santamaría C, Gardiner E, Davis AK, Murphy DA, Bronowska A, Luken BM, Baldauf C, Jackson S, Andrews R, Gräter F, Hogg PJ.

Sci Adv. 2018 Feb 28;4(2):eaaq1477. doi: 10.1126/sciadv.aaq1477. eCollection 2018 Feb.

4.

The aldehyde dehydrogenase AldA contributes to the hypochlorite defense and is redox-controlled by protein S-bacillithiolation in Staphylococcus aureus.

Imber M, Loi VV, Reznikov S, Fritsch VN, Pietrzyk-Brzezinska AJ, Prehn J, Hamilton C, Wahl MC, Bronowska AK, Antelmann H.

Redox Biol. 2018 May;15:557-568. doi: 10.1016/j.redox.2018.02.001. Epub 2018 Feb 5.

5.

Oxidation of SQSTM1/p62 mediates the link between redox state and protein homeostasis.

Carroll B, Otten EG, Manni D, Stefanatos R, Menzies FM, Smith GR, Jurk D, Kenneth N, Wilkinson S, Passos JF, Attems J, Veal EA, Teyssou E, Seilhean D, Millecamps S, Eskelinen EL, Bronowska AK, Rubinsztein DC, Sanz A, Korolchuk VI.

Nat Commun. 2018 Jan 17;9(1):256. doi: 10.1038/s41467-017-02746-z.

6.

Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.

Jarmuła A, Wilk P, Maj P, Ludwiczak J, Dowierciał A, Banaszak K, Rypniewski W, Cieśla J, Dąbrowska M, Frączyk T, Bronowska AK, Jakowiecki J, Filipek S, Rode W.

J Mol Graph Model. 2017 Oct;77:33-50. doi: 10.1016/j.jmgm.2017.08.008. Epub 2017 Aug 12.

PMID:
28826032
7.

Mechanism of Focal Adhesion Kinase Mechanosensing.

Zhou J, Aponte-Santamaría C, Sturm S, Bullerjahn JT, Bronowska A, Gräter F.

PLoS Comput Biol. 2015 Nov 6;11(11):e1004593. doi: 10.1371/journal.pcbi.1004593. eCollection 2015 Nov.

8.

Force-sensitive autoinhibition of the von Willebrand factor is mediated by interdomain interactions.

Aponte-Santamaría C, Huck V, Posch S, Bronowska AK, Grässle S, Brehm MA, Obser T, Schneppenheim R, Hinterdorfer P, Schneider SW, Baldauf C, Gräter F.

Biophys J. 2015 May 5;108(9):2312-21. doi: 10.1016/j.bpj.2015.03.041.

9.

Allosteric regulation of focal adhesion kinase by PIP₂ and ATP.

Zhou J, Bronowska A, Le Coq J, Lietha D, Gräter F.

Biophys J. 2015 Feb 3;108(3):698-705. doi: 10.1016/j.bpj.2014.11.3454.

10.

A proton relay enhances H2O2 sensitivity of GAPDH to facilitate metabolic adaptation.

Peralta D, Bronowska AK, Morgan B, Dóka É, Van Laer K, Nagy P, Gräter F, Dick TP.

Nat Chem Biol. 2015 Feb;11(2):156-63. doi: 10.1038/nchembio.1720. Epub 2015 Jan 12.

PMID:
25580853
11.

The influence of two-dimensional organization on peptide conformation.

White SJ, Johnson SD, Sellick MA, Bronowska A, Stockley PG, Wälti C.

Angew Chem Int Ed Engl. 2015 Jan 12;54(3):974-8. doi: 10.1002/anie.201408971. Epub 2014 Nov 20.

12.

Phosphatidylinositol 4,5-bisphosphate triggers activation of focal adhesion kinase by inducing clustering and conformational changes.

Goñi GM, Epifano C, Boskovic J, Camacho-Artacho M, Zhou J, Bronowska A, Martín MT, Eck MJ, Kremer L, Gräter F, Gervasio FL, Perez-Moreno M, Lietha D.

Proc Natl Acad Sci U S A. 2014 Aug 5;111(31):E3177-86. doi: 10.1073/pnas.1317022111. Epub 2014 Jul 21.

13.

Plugging the explicit σ-holes in molecular docking.

Kolář M, Hobza P, Bronowska AK.

Chem Commun (Camb). 2013 Feb 1;49(10):981-3. doi: 10.1039/c2cc37584b. Epub 2012 Dec 21.

PMID:
23257988
14.

Quantum mechanical scoring: structural and energetic insights into cyclin-dependent kinase 2 inhibition by pyrazolo[1,5-a]pyrimidines.

Brahmkshatriya PS, Dobeš P, Fanfrlik J, Rezáç J, Paruch K, Bronowska A, Lepšík M, Hobza P.

Curr Comput Aided Drug Des. 2013 Mar;9(1):118-29.

PMID:
23157414
15.

On-surface assembly of coiled-coil heterodimers.

White SJ, Morton DW, Cheah BC, Bronowska A, Davies AG, Stockley PG, Wälti C, Johnson S.

Langmuir. 2012 Oct 2;28(39):13877-82. doi: 10.1021/la3025149. Epub 2012 Sep 18.

16.

Redox-induced conformational change in mercaptoalkanoic acid multilayer films.

Johnson S, Bronowska A, Chan J, Evans D, Davies AG, Wälti C.

Langmuir. 2012 Apr 24;28(16):6632-7. doi: 10.1021/la300510x. Epub 2012 Apr 12.

PMID:
22448925
17.

Base-catalyzed peptide hydrolysis is insensitive to mechanical stress.

Xia F, Bronowska AK, Cheng S, Gräter F.

J Phys Chem B. 2011 Aug 25;115(33):10126-32. doi: 10.1021/jp202162r. Epub 2011 Aug 2.

PMID:
21770394
18.

A reliable docking/scoring scheme based on the semiempirical quantum mechanical PM6-DH2 method accurately covering dispersion and H-bonding: HIV-1 protease with 22 ligands.

Fanfrlík J, Bronowska AK, Rezác J, Prenosil O, Konvalinka J, Hobza P.

J Phys Chem B. 2010 Oct 7;114(39):12666-78. doi: 10.1021/jp1032965.

PMID:
20839830
19.

Drug profiling: knowing where it hits.

Merino A, Bronowska AK, Jackson DB, Cahill DJ.

Drug Discov Today. 2010 Sep;15(17-18):749-56. doi: 10.1016/j.drudis.2010.06.006. Epub 2010 Jun 18. Review.

PMID:
20601095
20.

Comparison of entropic contributions to binding in a "hydrophilic" versus "hydrophobic" ligand-protein interaction.

Syme NR, Dennis C, Bronowska A, Paesen GC, Homans SW.

J Am Chem Soc. 2010 Jun 30;132(25):8682-9. doi: 10.1021/ja101362u.

21.

Residual ligand entropy in the binding of p-substituted benzenesulfonamide ligands to bovine carbonic anhydrase II.

Stöckmann H, Bronowska A, Syme NR, Thompson GS, Kalverda AP, Warriner SL, Homans SW.

J Am Chem Soc. 2008 Sep 17;130(37):12420-6. doi: 10.1021/ja803755m. Epub 2008 Aug 22.

PMID:
18717559
22.

Global changes in local protein dynamics reduce the entropic cost of carbohydrate binding in the arabinose-binding protein.

MacRaild CA, Daranas AH, Bronowska A, Homans SW.

J Mol Biol. 2007 May 4;368(3):822-32. Epub 2007 Feb 22.

23.

Thermodynamic penalty arising from burial of a ligand polar group within a hydrophobic pocket of a protein receptor.

Barratt E, Bronowska A, Vondrásek J, Cerný J, Bingham R, Phillips S, Homans SW.

J Mol Biol. 2006 Oct 6;362(5):994-1003. Epub 2006 Aug 1.

PMID:
16935302
24.

Contribution of ligand desolvation to binding thermodynamics in a ligand-protein interaction.

Shimokhina N, Bronowska A, Homans SW.

Angew Chem Int Ed Engl. 2006 Sep 25;45(38):6374-6. No abstract available.

PMID:
16906619
25.

Interaction of 1,2,4-substituted piperazines, new serotonin receptor ligands, with 5-HT1A and 5-HT2A receptors.

Chilmonczyk Z, Cybulski M, Iskra-Jopa J, Chojnacka-Wójcik E, Tatarczyńska E, Kłodzińska A, Leś A, Bronowska A, Sylte I.

Farmaco. 2002 Apr;57(4):285-301.

PMID:
11989808
26.

Molecular dynamics of 5-HT1A and 5-HT2A serotonin receptors with methylated buspirone analogues.

Bronowska A, Chilmonczyk Z, Leś A, Edvardsen O, Ostensen R, Sylte I.

J Comput Aided Mol Des. 2001 Nov;15(11):1005-23.

PMID:
11989622
27.
28.

Molecular dynamics of buspirone analogues interacting with the 5-HT1A and 5-HT2A serotonin receptors.

Bronowska A, Leś A, Chilmonczyk Z, Filipek S, Edvardsen O, Ostensen R, Sylte I.

Bioorg Med Chem. 2001 Apr;9(4):881-95.

PMID:
11354671
29.

Theoretical models of interactions between buspirone analogues and 5-HT1A and 5-HT2A serotonin receptor subtypes.

Bronowska A, Sylte I, Edvardsen Ø, Østensen R, Leś A, Chilmonczyk Z.

Acta Pol Pharm. 2000 Nov;57 Suppl:40-5.

PMID:
11293260
30.

Ligand induced conformational states of the 5-HT(1A) receptor.

Sylte I, Bronowska A, Dahl SG.

Eur J Pharmacol. 2001 Mar 23;416(1-2):33-41.

PMID:
11282110
31.

Molecular modeling of buspirone-serotonin receptor interactions.

Chilmonńczyk Z, Cybulski J, Bronowska A, Leś A.

Acta Pol Pharm. 2000 Jul-Aug;57(4):281-8. Review.

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