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Items: 26

1.

Agonists and Antagonists of Protease-Activated Receptor 2 Discovered within a DNA-Encoded Chemical Library Using Mutational Stabilization of the Target.

Brown DG, Brown GA, Centrella P, Certel K, Cooke RM, Cuozzo JW, Dekker N, Dumelin CE, Ferguson A, Fiez-Vandal C, Geschwindner S, Guié MA, Habeshian S, Keefe AD, Schlenker O, Sigel EA, Snijder A, Soutter HT, Sundström L, Troast DM, Wiggin G, Zhang J, Zhang Y, Clark MA.

SLAS Discov. 2018 Jun;23(5):429-436. doi: 10.1177/2472555217749847. Epub 2018 Jan 9.

PMID:
29316408
2.

Correction to "Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors".

Johannes JW, Bates S, Beigie C, Belmonte MA, Breen J, Cao S, Centrella PA, Clark MA, Cuozzo JW, Dumelin CE, Ferguson AD, Habeshian S, Hargreaves D, Joubran C, Kazmirski S, Keefe AD, Lamb ML, Lan H, Li Y, Ma H, Mlynarski S, Packer MJ, Rawlins PB, Robbins DW, Shen H, Sigel EA, Soutter HH, Su N, Troast DM, Wang H, Wickson KF, Wu C, Zhang Y, Zhao Q, Zheng X, Hird AW.

ACS Med Chem Lett. 2017 Oct 18;8(11):1204. doi: 10.1021/acsmedchemlett.7b00397. eCollection 2017 Nov 9.

3.

Isoform-Selective ATAD2 Chemical Probe with Novel Chemical Structure and Unusual Mode of Action.

Fernández-Montalván AE, Berger M, Kuropka B, Koo SJ, Badock V, Weiske J, Puetter V, Holton SJ, Stöckigt D, Ter Laak A, Centrella PA, Clark MA, Dumelin CE, Sigel EA, Soutter HH, Troast DM, Zhang Y, Cuozzo JW, Keefe AD, Roche D, Rodeschini V, Chaikuad A, Díaz-Sáez L, Bennett JM, Fedorov O, Huber KVM, Hübner J, Weinmann H, Hartung IV, Gorjánácz M.

ACS Chem Biol. 2017 Nov 17;12(11):2730-2736. doi: 10.1021/acschembio.7b00708. Epub 2017 Oct 24.

PMID:
29043777
4.

Structural insight into allosteric modulation of protease-activated receptor 2.

Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Doré AS, Geschwindner S, Grebner C, Hermansson NO, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundström L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N.

Nature. 2017 May 4;545(7652):112-115. doi: 10.1038/nature22309. Epub 2017 Apr 26.

PMID:
28445455
5.

Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors.

Johannes JW, Bates S, Beigie C, Belmonte MA, Breen J, Cao S, Centrella PA, Clark MA, Cuozzo JW, Dumelin CE, Ferguson AD, Habeshian S, Hargreaves D, Joubran C, Kazmirski S, Keefe AD, Lamb ML, Lan H, Li Y, Ma H, Mlynarski S, Packer MJ, Rawlins PB, Robbins DW, Shen H, Sigel EA, Soutter HH, Su N, Troast DM, Wang H, Wickson KF, Wu C, Zhang Y, Zhao Q, Zheng X, Hird AW.

ACS Med Chem Lett. 2016 Dec 27;8(2):239-244. doi: 10.1021/acsmedchemlett.6b00464. eCollection 2017 Feb 9. Erratum in: ACS Med Chem Lett. 2017 Oct 18;8(11):1204.

6.

DNA-encoded chemistry: enabling the deeper sampling of chemical space.

Goodnow RA Jr, Dumelin CE, Keefe AD.

Nat Rev Drug Discov. 2017 Feb;16(2):131-147. doi: 10.1038/nrd.2016.213. Epub 2016 Dec 9. Review.

PMID:
27932801
7.

Discovery of cofactor-specific, bactericidal Mycobacterium tuberculosis InhA inhibitors using DNA-encoded library technology.

Soutter HH, Centrella P, Clark MA, Cuozzo JW, Dumelin CE, Guie MA, Habeshian S, Keefe AD, Kennedy KM, Sigel EA, Troast DM, Zhang Y, Ferguson AD, Davies G, Stead ER, Breed J, Madhavapeddi P, Read JA.

Proc Natl Acad Sci U S A. 2016 Dec 6;113(49):E7880-E7889. Epub 2016 Nov 18.

8.

Encoded Library Synthesis Using Chemical Ligation and the Discovery of sEH Inhibitors from a 334-Million Member Library.

Litovchick A, Dumelin CE, Habeshian S, Gikunju D, Guié MA, Centrella P, Zhang Y, Sigel EA, Cuozzo JW, Keefe AD, Clark MA.

Sci Rep. 2015 Jun 10;5:10916. doi: 10.1038/srep10916.

9.

A DNA-based molecular probe for optically reporting cellular traction forces.

Blakely BL, Dumelin CE, Trappmann B, McGregor LM, Choi CK, Anthony PC, Duesterberg VK, Baker BM, Block SM, Liu DR, Chen CS.

Nat Methods. 2014 Dec;11(12):1229-32. doi: 10.1038/nmeth.3145. Epub 2014 Oct 12.

10.

Discovery and biological characterization of geranylated RNA in bacteria.

Dumelin CE, Chen Y, Leconte AM, Chen YG, Liu DR.

Nat Chem Biol. 2012 Nov;8(11):913-9. doi: 10.1038/nchembio.1070. Epub 2012 Sep 16.

11.

Small-molecule discovery from DNA-encoded chemical libraries.

Kleiner RE, Dumelin CE, Liu DR.

Chem Soc Rev. 2011 Dec;40(12):5707-17. doi: 10.1039/c1cs15076f. Epub 2011 Jun 14. Review.

12.

Interaction-dependent PCR: identification of ligand-target pairs from libraries of ligands and libraries of targets in a single solution-phase experiment.

McGregor LM, Gorin DJ, Dumelin CE, Liu DR.

J Am Chem Soc. 2010 Nov 10;132(44):15522-4. doi: 10.1021/ja107677q.

13.

Isolation of potent and specific trypsin inhibitors from a DNA-encoded chemical library.

Mannocci L, Melkko S, Buller F, Molnàr I, Bianké JP, Dumelin CE, Scheuermann J, Neri D.

Bioconjug Chem. 2010 Oct 20;21(10):1836-41. doi: 10.1021/bc100198x.

PMID:
20806901
14.

In vitro selection of a DNA-templated small-molecule library reveals a class of macrocyclic kinase inhibitors.

Kleiner RE, Dumelin CE, Tiu GC, Sakurai K, Liu DR.

J Am Chem Soc. 2010 Aug 25;132(33):11779-91. doi: 10.1021/ja104903x.

15.

Isolation of a small-molecule inhibitor of the antiapoptotic protein Bcl-xL from a DNA-encoded chemical library.

Melkko S, Mannocci L, Dumelin CE, Villa A, Sommavilla R, Zhang Y, Grütter MG, Keller N, Jermutus L, Jackson RH, Scheuermann J, Neri D.

ChemMedChem. 2010 Apr 6;5(4):584-90. doi: 10.1002/cmdc.200900520.

PMID:
20229565
16.

In vivo targeting of tumor-associated carbonic anhydrases using acetazolamide derivatives.

Ahlskog JK, Dumelin CE, Trüssel S, Mårlind J, Neri D.

Bioorg Med Chem Lett. 2009 Aug 15;19(16):4851-6. doi: 10.1016/j.bmcl.2009.06.022. Epub 2009 Jun 13.

PMID:
19615903
17.

Label-free determination of protein-ligand binding constants using mass spectrometry and validation using surface plasmon resonance and isothermal titration calorimetry.

Jecklin MC, Schauer S, Dumelin CE, Zenobi R.

J Mol Recognit. 2009 Jul-Aug;22(4):319-29. doi: 10.1002/jmr.951.

PMID:
19373858
18.

Design and synthesis of a novel DNA-encoded chemical library using Diels-Alder cycloadditions.

Buller F, Mannocci L, Zhang Y, Dumelin CE, Scheuermann J, Neri D.

Bioorg Med Chem Lett. 2008 Nov 15;18(22):5926-31. doi: 10.1016/j.bmcl.2008.07.038. Epub 2008 Jul 15.

PMID:
18674904
19.

A portable albumin binder from a DNA-encoded chemical library.

Dumelin CE, Trüssel S, Buller F, Trachsel E, Bootz F, Zhang Y, Mannocci L, Beck SC, Drumea-Mirancea M, Seeliger MW, Baltes C, Müggler T, Kranz F, Rudin M, Melkko S, Scheuermann J, Neri D.

Angew Chem Int Ed Engl. 2008;47(17):3196-201. doi: 10.1002/anie.200704936. No abstract available.

PMID:
18366035
20.

DNA-encoded chemical libraries for the discovery of MMP-3 inhibitors.

Scheuermann J, Dumelin CE, Melkko S, Zhang Y, Mannocci L, Jaggi M, Sobek J, Neri D.

Bioconjug Chem. 2008 Mar;19(3):778-85. doi: 10.1021/bc7004347. Epub 2008 Feb 7.

PMID:
18254582
21.

Lead discovery by DNA-encoded chemical libraries.

Melkko S, Dumelin CE, Scheuermann J, Neri D.

Drug Discov Today. 2007 Jun;12(11-12):465-71. Epub 2007 Apr 26. Review.

PMID:
17532531
22.

Isolation of high-affinity trypsin inhibitors from a DNA-encoded chemical library.

Melkko S, Zhang Y, Dumelin CE, Scheuermann J, Neri D.

Angew Chem Int Ed Engl. 2007;46(25):4671-4. No abstract available.

PMID:
17497616
23.

DNA-encoded chemical libraries.

Scheuermann J, Dumelin CE, Melkko S, Neri D.

J Biotechnol. 2006 Dec 1;126(4):568-81. Epub 2006 Jun 9. Review.

PMID:
16860425
24.

Selection of streptavidin binders from a DNA-encoded chemical library.

Dumelin CE, Scheuermann J, Melkko S, Neri D.

Bioconjug Chem. 2006 Mar-Apr;17(2):366-70.

PMID:
16536467
25.
26.

Encoded self-assembling chemical libraries.

Melkko S, Scheuermann J, Dumelin CE, Neri D.

Nat Biotechnol. 2004 May;22(5):568-74. Epub 2004 Apr 18.

PMID:
15097996

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