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Items: 1 to 50 of 81

1.

Two SnRK2-interacting Calcium Sensor Isoforms Negatively Regulate SnRK2 Activity by Different Mechanisms.

Tarnowski K, Klimecka M, Ciesielski A, Goch G, Kulik A, Fedak H, Poznanski J, Lichocka M, Pierechod M, Engh RA, Dadlez M, Dobrowolska G, Bucholc M.

Plant Physiol. 2019 Nov 7. pii: pp.00900.2019. doi: 10.1104/pp.19.00900. [Epub ahead of print]

2.

Density Functional Studies on Secondary Amides: Role of Steric Factors in Cis/Trans Isomerization.

Thakkar BS, Svendsen JSM, Engh RA.

Molecules. 2018 Sep 25;23(10). pii: E2455. doi: 10.3390/molecules23102455.

3.

Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors.

Czarna A, Wang J, Zelencova D, Liu Y, Deng X, Choi HG, Zhang T, Zhou W, Chang JW, Kildalsen H, Seternes OM, Gray NS, Engh RA, Rothweiler U.

J Med Chem. 2018 Sep 13;61(17):7560-7572. doi: 10.1021/acs.jmedchem.7b01847. Epub 2018 Aug 23.

PMID:
30095246
4.

Data driven polypharmacological drug design for lung cancer: analyses for targeting ALK, MET, and EGFR.

Narayanan D, Gani OABSM, Gruber FXE, Engh RA.

J Cheminform. 2017 Jul 4;9(1):43. doi: 10.1186/s13321-017-0229-8.

5.

Cis/Trans Isomerization in Secondary Amides: Reaction Paths, Nitrogen Inversion, and Relevance to Peptidic Systems.

Thakkar BS, Svendsen JM, Engh RA.

J Phys Chem A. 2017 Sep 14;121(36):6830-6837. doi: 10.1021/acs.jpca.7b05584. Epub 2017 Aug 31.

PMID:
28810740
6.

Dynamical models of mutated chronic myelogenous leukemia cells for a post-imatinib treatment scenario: Response to dasatinib or nilotinib therapy.

Woywod C, Gruber FX, Engh RA, Flå T.

PLoS One. 2017 Jul 5;12(7):e0179700. doi: 10.1371/journal.pone.0179700. eCollection 2017.

7.

Biofocussed chemoprospecting: An efficient approach for drug discovery.

Thakkar BS, Albrigtsen M, Svendsen JS, Andersen JH, Engh RA.

Chem Biol Drug Des. 2017 Jul;90(1):128-140. doi: 10.1111/cbdd.12934. Epub 2017 Feb 7.

PMID:
28139899
8.

Probing the ATP-Binding Pocket of Protein Kinase DYRK1A with Benzothiazole Fragment Molecules.

Rothweiler U, Stensen W, Brandsdal BO, Isaksson J, Leeson FA, Engh RA, Svendsen JS.

J Med Chem. 2016 Nov 10;59(21):9814-9824. Epub 2016 Oct 21.

PMID:
27736065
9.

Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.

Ivan T, Enkvist E, Viira B, Manoharan GB, Raidaru G, Pflug A, Alam KA, Zaccolo M, Engh RA, Uri A.

Bioconjug Chem. 2016 Aug 17;27(8):1900-10. doi: 10.1021/acs.bioconjchem.6b00293. Epub 2016 Jul 20.

PMID:
27389935
10.

Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic.

Lauber BS, Hardegger LA, Asraful AK, Lund BA, Dumele O, Harder M, Kuhn B, Engh RA, Diederich F.

Chemistry. 2016 Jan 4;22(1):211-21. doi: 10.1002/chem.201503552. Epub 2015 Nov 18.

PMID:
26578105
11.

Assessing protein kinase target similarity: Comparing sequence, structure, and cheminformatics approaches.

Gani OA, Thakkar B, Narayanan D, Alam KA, Kyomuhendo P, Rothweiler U, Tello-Franco V, Engh RA.

Biochim Biophys Acta. 2015 Oct;1854(10 Pt B):1605-16. doi: 10.1016/j.bbapap.2015.05.004. Epub 2015 May 19.

PMID:
26001898
12.

The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals disulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine.

Alexeeva M, Åberg E, Engh RA, Rothweiler U.

Acta Crystallogr D Biol Crystallogr. 2015 May;71(Pt 5):1207-15. doi: 10.1107/S1399004715005106. Epub 2015 Apr 25.

PMID:
25945585
13.

Perspective on computational and structural aspects of kinase discovery from IPK2014.

Martin E, Knapp S, Engh RA, Moebitz H, Varin T, Roux B, Meiler J, Berdini V, Baumann A, Vieth M.

Biochim Biophys Acta. 2015 Oct;1854(10 Pt B):1595-604. doi: 10.1016/j.bbapap.2015.03.014. Epub 2015 Apr 7. Review.

14.

Luciferin and derivatives as a DYRK selective scaffold for the design of protein kinase inhibitors.

Rothweiler U, Eriksson J, Stensen W, Leeson F, Engh RA, Svendsen JS.

Eur J Med Chem. 2015 Apr 13;94:140-8. doi: 10.1016/j.ejmech.2015.02.035. Epub 2015 Feb 25.

PMID:
25768698
15.

Inhibition of Aurora kinase B is important for biologic activity of the dual inhibitors of BCR-ABL and Aurora kinases R763/AS703569 and PHA-739358 in BCR-ABL transformed cells.

Illert AL, Seitz AK, Rummelt C, Kreutmair S, Engh RA, Goodstal S, Peschel C, Duyster J, von Bubnoff N.

PLoS One. 2014 Nov 26;9(11):e112318. doi: 10.1371/journal.pone.0112318. eCollection 2014.

16.

Evaluating the predictivity of virtual screening for ABL kinase inhibitors to hinder drug resistance.

Gani OA, Narayanan D, Engh RA.

Chem Biol Drug Des. 2013 Nov;82(5):506-19. doi: 10.1111/cbdd.12170. Epub 2013 Oct 1.

17.

Structural origins of AGC protein kinase inhibitor selectivities: PKA as a drug discovery tool.

Åberg E, Lund B, Pflug A, Gani OA, Rothweiler U, de Oliveira TM, Engh RA.

Biol Chem. 2012 Oct;393(10):1121-9. doi: 10.1515/hsz-2012-0248. Review.

PMID:
23092797
18.

Antitumoral and mechanistic studies of ianthelline isolated from the Arctic sponge Stryphnus fortis.

Hanssen KØ, Andersen JH, Stiberg T, Engh RA, Svenson J, Genevière AM, Hansen E.

Anticancer Res. 2012 Oct;32(10):4287-97.

PMID:
23060549
19.

Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89.

Pflug A, Johnson KA, Engh RA.

Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012 Aug 1;68(Pt 8):873-7. doi: 10.1107/S1744309112028655. Epub 2012 Jul 26.

20.

Differential sensitivity of ERBB2 kinase domain mutations towards lapatinib.

Kancha RK, von Bubnoff N, Bartosch N, Peschel C, Engh RA, Duyster J.

PLoS One. 2011;6(10):e26760. doi: 10.1371/journal.pone.0026760. Epub 2011 Oct 28.

21.

Dynamics of the emergence of dasatinib and nilotinib resistance in imatinib-resistant CML patients.

Gruber FX, Ernst T, Porkka K, Engh RA, Mikkola I, Maier J, Lange T, Hochhaus A.

Leukemia. 2012 Jan;26(1):172-7. doi: 10.1038/leu.2011.187. Epub 2011 Aug 5. No abstract available.

PMID:
21818112
22.

Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase.

Pflug A, de Oliveira TM, Bossemeyer D, Engh RA.

Biochem J. 2011 Nov 15;440(1):85-93. doi: 10.1042/BJ20110592.

PMID:
21774789
23.

p38α MAP kinase dimers with swapped activation segments and a novel catalytic loop conformation.

Rothweiler U, Åberg E, Johnson KA, Hansen TE, Jørgensen JB, Engh RA.

J Mol Biol. 2011 Aug 12;411(2):474-85. doi: 10.1016/j.jmb.2011.06.013. Epub 2011 Jun 15.

PMID:
21699901
24.

VX680 binding in Aurora A: π-π interactions involving the conserved aromatic amino acid of the flexible glycine-rich loop.

Oliveira TM, Ahmad R, Engh RA.

J Phys Chem A. 2011 Apr 28;115(16):3895-904. doi: 10.1021/jp108286r. Epub 2011 Feb 9.

PMID:
21306143
25.

Phthalazinone pyrazoles as potent, selective, and orally bioavailable inhibitors of Aurora-A kinase.

Prime ME, Courtney SM, Brookfield FA, Marston RW, Walker V, Warne J, Boyd AE, Kairies NA, von der Saal W, Limberg A, Georges G, Engh RA, Goller B, Rueger P, Rueth M.

J Med Chem. 2011 Jan 13;54(1):312-9. doi: 10.1021/jm101346r. Epub 2010 Dec 3.

PMID:
21128645
26.

The low frequency of clinical resistance to PDGFR inhibitors in myeloid neoplasms with abnormalities of PDGFRA might be related to the limited repertoire of possible PDGFRA kinase domain mutations in vitro.

von Bubnoff N, Gorantla SP, Engh RA, Oliveira TM, Thöne S, Aberg E, Peschel C, Duyster J.

Oncogene. 2011 Feb 24;30(8):933-43. doi: 10.1038/onc.2010.476. Epub 2010 Oct 25.

PMID:
20972453
27.

Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.

Pflug A, Rogozina J, Lavogina D, Enkvist E, Uri A, Engh RA, Bossemeyer D.

J Mol Biol. 2010 Oct 15;403(1):66-77. doi: 10.1016/j.jmb.2010.08.028. Epub 2010 Aug 21.

PMID:
20732331
28.

Protein kinase inhibition of clinically important staurosporine analogues.

Gani OA, Engh RA.

Nat Prod Rep. 2010 Apr;27(4):489-98. doi: 10.1039/b923848b. Epub 2010 Mar 4. Review.

PMID:
20336234
29.

FMS-like tyrosine kinase 3-internal tandem duplication tyrosine kinase inhibitors display a nonoverlapping profile of resistance mutations in vitro.

von Bubnoff N, Engh RA, Aberg E, Sänger J, Peschel C, Duyster J.

Cancer Res. 2009 Apr 1;69(7):3032-41. doi: 10.1158/0008-5472.CAN-08-2923. Epub 2009 Mar 24.

30.

Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity.

Bonn S, Herrero S, Breitenlechner CB, Erlbruch A, Lehmann W, Engh RA, Gassel M, Bossemeyer D.

J Biol Chem. 2006 Aug 25;281(34):24818-30. Epub 2006 May 12.

31.

Crystallography for protein kinase drug design: PKA and SRC case studies.

Breitenlechner CB, Bossemeyer D, Engh RA.

Biochim Biophys Acta. 2005 Dec 30;1754(1-2):38-49. Epub 2005 Oct 21. Review.

PMID:
16269279
32.

Crystal structures of active SRC kinase domain complexes.

Breitenlechner CB, Kairies NA, Honold K, Scheiblich S, Koll H, Greiter E, Koch S, Schäfer W, Huber R, Engh RA.

J Mol Biol. 2005 Oct 21;353(2):222-31.

PMID:
16168436
33.

The 1.1 A resolution crystal structure of the p130cas SH3 domain and ramifications for ligand selectivity.

Wisniewska M, Bossenmaier B, Georges G, Hesse F, Dangl M, Künkele KP, Ioannidis I, Huber R, Engh RA.

J Mol Biol. 2005 Apr 15;347(5):1005-14.

PMID:
15784259
34.

Structural basis for the regulation of insulin-like growth factors by IGF binding proteins.

Siwanowicz I, Popowicz GM, Wisniewska M, Huber R, Kuenkele KP, Lang K, Engh RA, Holak TA.

Structure. 2005 Jan;13(1):155-67.

35.

Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants.

Breitenlechner CB, Friebe WG, Brunet E, Werner G, Graul K, Thomas U, Künkele KP, Schäfer W, Gassel M, Bossemeyer D, Huber R, Engh RA, Masjost B.

J Med Chem. 2005 Jan 13;48(1):163-70.

PMID:
15634010
36.

The typically disordered N-terminus of PKA can fold as a helix and project the myristoylation site into solution.

Breitenlechner C, Engh RA, Huber R, Kinzel V, Bossemeyer D, Gassel M.

Biochemistry. 2004 Jun 22;43(24):7743-9.

PMID:
15196017
37.

Structure-based optimization of novel azepane derivatives as PKB inhibitors.

Breitenlechner CB, Wegge T, Berillon L, Graul K, Marzenell K, Friebe WG, Thomas U, Schumacher R, Huber R, Engh RA, Masjost B.

J Med Chem. 2004 Mar 11;47(6):1375-90.

PMID:
14998327
38.

The protein kinase C inhibitor bisindolyl maleimide 2 binds with reversed orientations to different conformations of protein kinase A.

Gassel M, Breitenlechner CB, König N, Huber R, Engh RA, Bossemeyer D.

J Biol Chem. 2004 May 28;279(22):23679-90. Epub 2004 Mar 1.

39.

In vitro folding and characterization of the p53 DNA binding domain.

Klein C, Hesse F, Dehner A, Engh RA, Schwaiger M, Hansen S.

Biol Chem. 2004 Jan;385(1):95-102.

PMID:
14977051
40.

Protein kinase A in complex with Rho-kinase inhibitors Y-27632, Fasudil, and H-1152P: structural basis of selectivity.

Breitenlechner C, Gassel M, Hidaka H, Kinzel V, Huber R, Engh RA, Bossemeyer D.

Structure. 2003 Dec;11(12):1595-607.

41.

Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT).

Gassel M, Breitenlechner CB, Rüger P, Jucknischke U, Schneider T, Huber R, Bossemeyer D, Engh RA.

J Mol Biol. 2003 Jun 20;329(5):1021-34.

PMID:
12798691
42.

In silico and NMR identification of inhibitors of the IGF-I and IGF-binding protein-5 interaction.

Kamionka M, Rehm T, Beisel HG, Lang K, Engh RA, Holak TA.

J Med Chem. 2002 Dec 19;45(26):5655-60.

PMID:
12477349
43.

Structural aspects of protein kinase control-role of conformational flexibility.

Engh RA, Bossemeyer D.

Pharmacol Ther. 2002 Feb-Mar;93(2-3):99-111. Review.

PMID:
12191603
44.

Phosphorylation and flexibility of cyclic-AMP-dependent protein kinase (PKA) using (31)P NMR spectroscopy.

Seifert MH, Breitenlechner CB, Bossemeyer D, Huber R, Holak TA, Engh RA.

Biochemistry. 2002 May 14;41(19):5968-77.

PMID:
11993991
45.

High thermostability and lack of cooperative DNA binding distinguish the p63 core domain from the homologous tumor suppressor p53.

Klein C, Georges G, Künkele KP, Huber R, Engh RA, Hansen S.

J Biol Chem. 2001 Oct 5;276(40):37390-401. Epub 2001 Jul 26.

46.

The interaction of insulin-like growth factor-I with the N-terminal domain of IGFBP-5.

Zesławski W, Beisel HG, Kamionka M, Kalus W, Engh RA, Huber R, Lang K, Holak TA.

EMBO J. 2001 Jul 16;20(14):3638-44.

47.

The protein kinase activity modulation sites: mechanisms for cellular regulation - targets for therapeutic intervention.

Engh RA, Bossemeyer D.

Adv Enzyme Regul. 2001;41:121-49. Review. No abstract available.

PMID:
11384741
48.

The 1.8-A crystal structure of a matrix metalloproteinase 8-barbiturate inhibitor complex reveals a previously unobserved mechanism for collagenase substrate recognition.

Brandstetter H, Grams F, Glitz D, Lang A, Huber R, Bode W, Krell HW, Engh RA.

J Biol Chem. 2001 May 18;276(20):17405-12. Epub 2001 Jan 22.

49.

The extracellular human melanoma inhibitory activity (MIA) protein adopts an SH3 domain-like fold.

Stoll R, Renner C, Zweckstetter M, Brüggert M, Ambrosius D, Palme S, Engh RA, Golob M, Breibach I, Buettner R, Voelter W, Holak TA, Bosserhoff AK.

EMBO J. 2001 Feb 1;20(3):340-9.

50.

Chalcone derivatives antagonize interactions between the human oncoprotein MDM2 and p53.

Stoll R, Renner C, Hansen S, Palme S, Klein C, Belling A, Zeslawski W, Kamionka M, Rehm T, Mühlhahn P, Schumacher R, Hesse F, Kaluza B, Voelter W, Engh RA, Holak TA.

Biochemistry. 2001 Jan 16;40(2):336-44.

PMID:
11148027

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