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Items: 1 to 50 of 131

1.

Oxygen Dependent Purine Lesions in Double-Stranded Oligodeoxynucleotides: Kinetic and Computational Studies Highlight the Mechanism for 5',8-Cyclopurine Formation.

Chatgilialoglu C, Eriksson LA, Krokidis MG, Masi A, Wang S, Zhang R.

J Am Chem Soc. 2020 Mar 25;142(12):5825-5833. doi: 10.1021/jacs.0c00945. Epub 2020 Mar 13.

PMID:
32129616
2.

Footprints of natural selection at the mannose-6-phosphate isomerase locus in barnacles.

Nunez JCB, Flight PA, Neil KB, Rong S, Eriksson LA, Ferranti DA, Rosenblad MA, Blomberg A, Rand DM.

Proc Natl Acad Sci U S A. 2020 Mar 10;117(10):5376-5385. doi: 10.1073/pnas.1918232117. Epub 2020 Feb 25.

3.

Effect of Kinase Inhibiting RNase Attenuator (KIRA) Compounds on the Formation of Face-to-Face Dimers of Inositol-Requiring Enzyme 1: Insights from Computational Modeling.

Carlesso A, Chintha C, Gorman AM, Samali A, Eriksson LA.

Int J Mol Sci. 2019 Nov 6;20(22). pii: E5538. doi: 10.3390/ijms20225538.

4.

Control of anterior GRadient 2 (AGR2) dimerization links endoplasmic reticulum proteostasis to inflammation.

Maurel M, Obacz J, Avril T, Ding YP, Papadodima O, Treton X, Daniel F, Pilalis E, Hörberg J, Hou W, Beauchamp MC, Tourneur-Marsille J, Cazals-Hatem D, Sommerova L, Samali A, Tavernier J, Hrstka R, Dupont A, Fessart D, Delom F, Fernandez-Zapico ME, Jansen G, Eriksson LA, Thomas DY, Jerome-Majewska L, Hupp T, Chatziioannou A, Chevet E, Ogier-Denis E.

EMBO Mol Med. 2019 Jun;11(6). pii: e10120. doi: 10.15252/emmm.201810120.

5.

A new split-luciferase complementation assay identifies pentachlorophenol as an inhibitor of apoptosome formation.

Tashakor A, H-Dehkordi M, O'Connell E, Gomez Ganau S, Gozalbes R, Eriksson LA, Hosseinkhani S, Fearnhead HO.

FEBS Open Bio. 2019 Jul;9(7):1194-1203. doi: 10.1002/2211-5463.12646. Epub 2019 May 29.

6.

The unfolded protein response modulators GSK2606414 and KIRA6 are potent KIT inhibitors.

Mahameed M, Wilhelm T, Darawshi O, Obiedat A, Tommy WS, Chintha C, Schubert T, Samali A, Chevet E, Eriksson LA, Huber M, Tirosh B.

Cell Death Dis. 2019 Apr 1;10(4):300. doi: 10.1038/s41419-019-1523-3.

7.

Merits and pitfalls of conventional and covalent docking in identifying new hydroxyl aryl aldehyde like compounds as human IRE1 inhibitors.

Carlesso A, Chintha C, Gorman AM, Samali A, Eriksson LA.

Sci Rep. 2019 Mar 4;9(1):3407. doi: 10.1038/s41598-019-39939-z.

8.
9.

Binding Analysis of the Inositol-Requiring Enzyme 1 Kinase Domain.

Carlesso A, Chintha C, Gorman AM, Samali A, Eriksson LA.

ACS Omega. 2018 Oct 31;3(10):13313-13322. doi: 10.1021/acsomega.8b01404. Epub 2018 Oct 16.

10.

Exploring Polypharmacology in Drug Design.

Saenz-Méndez P, Eriksson LA.

Methods Mol Biol. 2018;1824:229-243. doi: 10.1007/978-1-4939-8630-9_13.

PMID:
30039410
11.

Endoplasmic reticulum stress signalling - from basic mechanisms to clinical applications.

Almanza A, Carlesso A, Chintha C, Creedican S, Doultsinos D, Leuzzi B, Luís A, McCarthy N, Montibeller L, More S, Papaioannou A, Püschel F, Sassano ML, Skoko J, Agostinis P, de Belleroche J, Eriksson LA, Fulda S, Gorman AM, Healy S, Kozlov A, Muñoz-Pinedo C, Rehm M, Chevet E, Samali A.

FEBS J. 2019 Jan;286(2):241-278. doi: 10.1111/febs.14608. Epub 2018 Aug 4. Review.

12.

QM/MM Studies of Dph5 - A Promiscuous Methyltransferase in the Eukaryotic Biosynthetic Pathway of Diphthamide.

Hörberg J, Saenz-Mendez P, Eriksson LA.

J Chem Inf Model. 2018 Jul 23;58(7):1406-1414. doi: 10.1021/acs.jcim.8b00217. Epub 2018 Jul 3.

PMID:
29927239
13.

In silico and in vitro studies of the reduction of unsaturated α,β bonds of trans-2-hexenedioic acid and 6-amino-trans-2-hexenoic acid - Important steps towards biobased production of adipic acid.

Karlsson E, Shin JH, Westman G, Eriksson LA, Olsson L, Mapelli V.

PLoS One. 2018 Feb 23;13(2):e0193503. doi: 10.1371/journal.pone.0193503. eCollection 2018.

14.

Alcohols enhance the rate of acetic acid diffusion in S. cerevisiae: biophysical mechanisms and implications for acetic acid tolerance.

Lindahl L, Genheden S, Faria-Oliveira F, Allard S, Eriksson LA, Olsson L, Bettiga M.

Microb Cell. 2017 Dec 1;5(1):42-55. doi: 10.15698/mic2018.01.609.

15.

Theoretical Insights on the Inefficiency of RNA Oxidative Damage under Aerobic Conditions.

Zhao S, Eriksson LA, Zhang RB.

J Phys Chem A. 2018 Jan 11;122(1):431-438. doi: 10.1021/acs.jpca.7b10711. Epub 2017 Dec 28.

PMID:
29206039
16.

Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process.

Bignon E, Marazzi M, Besancenot V, Gattuso H, Drouot G, Morell C, Eriksson LA, Grandemange S, Dumont E, Monari A.

Sci Rep. 2017 Aug 21;7(1):8885. doi: 10.1038/s41598-017-09406-8.

17.

Analysis of aquaporins from the euryhaline barnacle Balanus improvisus reveals differential expression in response to changes in salinity.

Lind U, Järvå M, Alm Rosenblad M, Pingitore P, Karlsson E, Wrange AL, Kamdal E, Sundell K, André C, Jonsson PR, Havenhand J, Eriksson LA, Hedfalk K, Blomberg A.

PLoS One. 2017 Jul 17;12(7):e0181192. doi: 10.1371/journal.pone.0181192. eCollection 2017.

18.

Homology model of the human tRNA splicing ligase RtcB.

Nandy A, Saenz-Méndez P, Gorman AM, Samali A, Eriksson LA.

Proteins. 2017 Nov;85(11):1983-1993. doi: 10.1002/prot.25352. Epub 2017 Aug 8.

PMID:
28707320
19.

Analysis of Biphenyl-Type Inhibitors Targeting the Eg5 α4/α6 Allosteric Pocket.

Gao C, Lowndes NF, Eriksson LA.

ACS Omega. 2017 May 31;2(5):1836-1849. doi: 10.1021/acsomega.6b00467. Epub 2017 May 5.

20.

Ligand Selectivity between the ADP-Ribosylating Toxins: An Inverse-Docking Study for Multitarget Drug Discovery.

Saenz-Méndez P, Eriksson M, Eriksson LA.

ACS Omega. 2017 Apr 30;2(4):1710-1719. doi: 10.1021/acsomega.7b00010. Epub 2017 Apr 28.

21.

Estimation of Liposome Penetration Barriers of Drug Molecules with All-Atom and Coarse-Grained Models.

Genheden S, Eriksson LA.

J Chem Theory Comput. 2016 Sep 13;12(9):4651-61. doi: 10.1021/acs.jctc.6b00557. Epub 2016 Aug 31.

PMID:
27541708
22.

Targeting cancer using KAT inhibitors to mimic lethal knockouts.

Brown JA, Bourke E, Eriksson LA, Kerin MJ.

Biochem Soc Trans. 2016 Aug 15;44(4):979-86. doi: 10.1042/BST20160081. Review.

23.

Structures, Properties, and Dynamics of Intermediates in eEF2-Diphthamide Biosynthesis.

Billod JM, Saenz-Mendez P, Blomberg A, Eriksson LA.

J Chem Inf Model. 2016 Sep 26;56(9):1776-86. doi: 10.1021/acs.jcim.6b00223. Epub 2016 Aug 24.

PMID:
27525663
24.

Secretion of protein disulphide isomerase AGR2 confers tumorigenic properties.

Fessart D, Domblides C, Avril T, Eriksson LA, Begueret H, Pineau R, Malrieux C, Dugot-Senant N, Lucchesi C, Chevet E, Delom F.

Elife. 2016 May 30;5. pii: e13887. doi: 10.7554/eLife.13887.

25.

Improved Homology Model of the Human all-trans Retinoic Acid Metabolizing Enzyme CYP26A1.

Awadalla MK, Alshammari TM, Eriksson LA, Saenz-Méndez P.

Molecules. 2016 Mar 15;21(3):351. doi: 10.3390/molecules21030351.

26.

Defects in the calcium-binding region drastically affect the cadherin-like domains of RET tyrosine kinase.

Gao C, Grøtli M, Eriksson LA.

Phys Chem Chem Phys. 2016 Mar 28;18(12):8673-81. doi: 10.1039/c6cp00042h.

PMID:
26950000
27.

Exploration of multiple Sortase A protein conformations in virtual screening.

Gao C, Uzelac I, Gottfries J, Eriksson LA.

Sci Rep. 2016 Feb 5;6:20413. doi: 10.1038/srep20413.

28.

DNA Distortion Caused by Uracil-Containing Intrastrand Cross-Links.

Churchill CD, Eriksson LA, Wetmore SD.

J Phys Chem B. 2016 Feb 25;120(7):1195-204. doi: 10.1021/acs.jpcb.5b10381. Epub 2016 Feb 15.

PMID:
26830475
29.

Sphingolipids contribute to acetic acid resistance in Zygosaccharomyces bailii.

Lindahl L, Genheden S, Eriksson LA, Olsson L, Bettiga M.

Biotechnol Bioeng. 2016 Apr;113(4):744-53. doi: 10.1002/bit.25845. Epub 2015 Dec 10.

30.

Characterization of interactions and pharmacophore development for DFG-out inhibitors to RET tyrosine kinase.

Gao C, Grøtli M, Eriksson LA.

J Mol Model. 2015 Jul;21(7):167. doi: 10.1007/s00894-015-2708-z. Epub 2015 Jun 6.

PMID:
26044359
31.

De novo tertiary structure prediction using RNA123--benchmarking and application to Macugen.

Eriksson ES, Joshi L, Billeter M, Eriksson LA.

J Mol Model. 2014 Aug;20(8):2389. doi: 10.1007/s00894-014-2389-z. Epub 2014 Aug 10.

PMID:
25107358
32.

Rational design and validation of a Tip60 histone acetyltransferase inhibitor.

Gao C, Bourke E, Scobie M, Famme MA, Koolmeister T, Helleday T, Eriksson LA, Lowndes NF, Brown JA.

Sci Rep. 2014 Jun 20;4:5372. doi: 10.1038/srep05372.

33.

Deamination features of 5-hydroxymethylcytosine, a radical and enzymatic DNA oxidation product.

Grand A, Jorge N, Morell C, Cadet J, Eriksson LA.

J Mol Model. 2014 Jun;20(6):2290. doi: 10.1007/s00894-014-2290-9. Epub 2014 May 27.

PMID:
24863534
34.

Hydrogen peroxide contributes to the ultraviolet-B (280-315 nm) induced oxidative stress of plant leaves through multiple pathways.

Czégény G, Wu M, Dér A, Eriksson LA, Strid Å, Hideg É.

FEBS Lett. 2014 Jun 27;588(14):2255-61. doi: 10.1016/j.febslet.2014.05.005. Epub 2014 May 17.

35.

Improved homology model of cyclohexanone monooxygenase from Acinetobacter calcoaceticus based on multiple templates.

Bermúdez E, Ventura ON, Eriksson LA, Saenz-Méndez P.

Comput Biol Chem. 2014 Apr;49:14-22. doi: 10.1016/j.compbiolchem.2014.01.012. Epub 2014 Jan 28.

PMID:
24530814
36.

Photochemical reaction mechanism of UV-B-induced monomerization of UVR8 dimers as the first signaling event in UV-B-regulated gene expression in plants.

Wu M, Strid Å, Eriksson LA.

J Phys Chem B. 2014 Jan 30;118(4):951-65. doi: 10.1021/jp4104118. Epub 2014 Jan 21.

PMID:
24410443
37.

Molecular Dynamics Studies of Liposomes as Carriers for Photosensitizing Drugs: Development, Validation, and Simulations with a Coarse-Grained Model.

Jämbeck JP, Eriksson ES, Laaksonen A, Lyubartsev AP, Eriksson LA.

J Chem Theory Comput. 2014 Jan 14;10(1):5-13. doi: 10.1021/ct400466m.

PMID:
26579887
38.

Predicting enzyme-substrate specificity with QM/MM methods: a case study of the stereospecificity of (D)-glucarate dehydratase.

Tian B, Wallrapp F, Kalyanaraman C, Zhao S, Eriksson LA, Jacobson MP.

Biochemistry. 2013 Aug 20;52(33):5511-3. doi: 10.1021/bi400546j. Epub 2013 Aug 9.

39.

UV-induced formation of the thymine-thymine pyrimidine (6-4) pyrimidone photoproduct--a DFT study of the oxetane intermediate ring opening.

Labet V, Jorge N, Morell C, Douki T, Grand A, Cadet J, Eriksson LA.

Photochem Photobiol Sci. 2013 Aug;12(8):1509-16. doi: 10.1039/c3pp50069a.

PMID:
23831678
40.

Interactions and stabilities of the UV RESISTANCE LOCUS8 (UVR8) protein dimer and its key mutants.

Wu M, Strid A, Eriksson LA.

J Chem Inf Model. 2013 Jul 22;53(7):1736-46. doi: 10.1021/ci4001822. Epub 2013 Jun 24.

PMID:
23745796
41.

Catalysts or initiators? Beckmann rearrangement revisited.

Tian BX, An N, Deng WP, Eriksson LA.

J Org Chem. 2013 Jul 5;78(13):6782-5. doi: 10.1021/jo4008817. Epub 2013 Jun 18.

PMID:
23738927
42.

Mechanistic insight into self-propagation of organo-mediated Beckmann rearrangement: a combined experimental and computational study.

An N, Tian BX, Pi HJ, Eriksson LA, Deng WP.

J Org Chem. 2013 May 3;78(9):4297-302. doi: 10.1021/jo400278c. Epub 2013 Apr 10.

PMID:
23534968
43.

Of mice and men: Dissecting the interaction between Listeria monocytogenes Internalin A and E-cadherin.

Genheden S, Eriksson LA.

Comput Struct Biotechnol J. 2013 Dec 15;6:e201303022. doi: 10.5936/csbj.201303022. eCollection 2013.

44.

Catalytic mechanism and product specificity of oxidosqualene-lanosterol cyclase: a QM/MM study.

Tian BX, Eriksson LA.

J Phys Chem B. 2012 Nov 29;116(47):13857-62. doi: 10.1021/jp3091396. Epub 2012 Nov 16.

PMID:
23130825
45.

Homology models of human all-trans retinoic acid metabolizing enzymes CYP26B1 and CYP26B1 spliced variant.

Saenz-Méndez P, Elmabsout AA, Sävenstrand H, Awadalla MK, Strid Å, Sirsjö A, Eriksson LA.

J Chem Inf Model. 2012 Oct 22;52(10):2631-7. doi: 10.1021/ci300264u. Epub 2012 Sep 25.

PMID:
22985482
46.

Catalytic mechanism of porphobilinogen synthase: the chemical step revisited by QM/MM calculations.

Tian BX, Erdtman E, Eriksson LA.

J Phys Chem B. 2012 Oct 11;116(40):12105-12. doi: 10.1021/jp304743c. Epub 2012 Oct 2.

PMID:
22974111
47.

Theoretical studies of chemical reactivity of metabolically activated forms of aromatic amines toward DNA.

Shamovsky I, Ripa L, Blomberg N, Eriksson LA, Hansen P, Mee C, Tyrchan C, O'Donovan M, Sjö P.

Chem Res Toxicol. 2012 Oct 15;25(10):2236-52. doi: 10.1021/tx300313b. Epub 2012 Sep 20.

PMID:
22946514
48.

Identifying the sarco(endo)plasmic reticulum Ca2+ ATPase (SERCA) as a potential target for hypericin--a theoretical study.

Eriksson ES, Eriksson LA.

Phys Chem Chem Phys. 2012 Sep 28;14(36):12637-46. doi: 10.1039/c2cp42237a. Epub 2012 Aug 15.

PMID:
22892582
49.

Stability and iron coordination in DNA adducts of Anthracycline based anti-cancer drugs.

Eizaguirre A, Yáñez M, Eriksson LA.

Phys Chem Chem Phys. 2012 Sep 28;14(36):12505-14. doi: 10.1039/c2cp40931c. Epub 2012 Jun 14.

PMID:
22699973
50.

7-Nitro-4-(phenylthio)benzofurazan is a potent generator of superoxide and hydrogen peroxide.

Patridge EV, Eriksson ES, Penketh PG, Baumann RP, Zhu R, Shyam K, Eriksson LA, Sartorelli AC.

Arch Toxicol. 2012 Oct;86(10):1613-25. doi: 10.1007/s00204-012-0872-9. Epub 2012 Jun 6.

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