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Results: 1 to 20 of 106

1.

Ordering a dynamic protein via a small-molecule stabilizer.

Wang N, Majmudar CY, Pomerantz WC, Gagnon JK, Sadowsky JD, Meagher JL, Johnson TK, Stuckey JA, Brooks CL 3rd, Wells JA, Mapp AK.

J Am Chem Soc. 2013 Mar 6;135(9):3363-6. doi: 10.1021/ja3122334. Epub 2013 Feb 22.

PMID:
23384013
[PubMed - indexed for MEDLINE]
Free PMC Article
2.

Sekikaic acid and lobaric acid target a dynamic interface of the coactivator CBP/p300.

Majmudar CY, Højfeldt JW, Arevang CJ, Pomerantz WC, Gagnon JK, Schultz PJ, Cesa LC, Doss CH, Rowe SP, Vásquez V, Tamayo-Castillo G, Cierpicki T, Brooks CL 3rd, Sherman DH, Mapp AK.

Angew Chem Int Ed Engl. 2012 Nov 5;51(45):11258-62. doi: 10.1002/anie.201206815. Epub 2012 Oct 8.

PMID:
23042634
[PubMed - indexed for MEDLINE]
Free PMC Article
3.

Transient pockets on XIAP-BIR2: toward the characterization of putative binding sites of small-molecule XIAP inhibitors.

Eyrisch S, Medina-Franco JL, Helms V.

J Mol Model. 2012 May;18(5):2031-42. doi: 10.1007/s00894-011-1217-y. Epub 2011 Aug 30.

PMID:
21877153
[PubMed - indexed for MEDLINE]
4.

Unbiased binding assays for discovering small-molecule probes and drugs.

Kemp MM, Weïwer M, Koehler AN.

Bioorg Med Chem. 2012 Mar 15;20(6):1979-89. doi: 10.1016/j.bmc.2011.11.071. Epub 2011 Dec 24. Review.

PMID:
22230199
[PubMed - indexed for MEDLINE]
5.

Structure-based druggability assessment--identifying suitable targets for small molecule therapeutics.

Fauman EB, Rai BK, Huang ES.

Curr Opin Chem Biol. 2011 Aug;15(4):463-8. doi: 10.1016/j.cbpa.2011.05.020. Epub 2011 Jun 23. Review.

PMID:
21704549
[PubMed - indexed for MEDLINE]
6.

Profiling the dynamic interfaces of fluorinated transcription complexes for ligand discovery and characterization.

Pomerantz WC, Wang N, Lipinski AK, Wang R, Cierpicki T, Mapp AK.

ACS Chem Biol. 2012 Aug 17;7(8):1345-50. doi: 10.1021/cb3002733. Epub 2012 Jul 2.

PMID:
22725662
[PubMed - indexed for MEDLINE]
Free PMC Article
7.

Molecular mechanism of T-cell protein tyrosine phosphatase (TCPTP) activation by mitoxantrone.

Ylilauri M, Mattila E, Nurminen EM, Käpylä J, Niinivehmas SP, Määttä JA, Pentikäinen U, Ivaska J, Pentikäinen OT.

Biochim Biophys Acta. 2013 Oct;1834(10):1988-97. doi: 10.1016/j.bbapap.2013.07.001. Epub 2013 Jul 12.

PMID:
23856547
[PubMed - indexed for MEDLINE]
Free Article
8.

Virtual ligand screening of the p300/CBP histone acetyltransferase: identification of a selective small molecule inhibitor.

Bowers EM, Yan G, Mukherjee C, Orry A, Wang L, Holbert MA, Crump NT, Hazzalin CA, Liszczak G, Yuan H, Larocca C, Saldanha SA, Abagyan R, Sun Y, Meyers DJ, Marmorstein R, Mahadevan LC, Alani RM, Cole PA.

Chem Biol. 2010 May 28;17(5):471-82. doi: 10.1016/j.chembiol.2010.03.006.

PMID:
20534345
[PubMed - indexed for MEDLINE]
Free PMC Article
9.

Design, synthesis, and in vitro biological evaluation of small molecule inhibitors of estrogen receptor alpha coactivator binding.

Rodriguez AL, Tamrazi A, Collins ML, Katzenellenbogen JA.

J Med Chem. 2004 Jan 29;47(3):600-11.

PMID:
14736241
[PubMed - indexed for MEDLINE]
10.

Conformation control of abiotic α-helical foldamers.

Perato S, Fogha J, Sebban M, Voisin-Chiret AS, Sopkova-de Oliveira Santos J, Oulyadi H, Rault S.

J Chem Inf Model. 2013 Oct 28;53(10):2671-80. doi: 10.1021/ci400365y. Epub 2013 Oct 11.

PMID:
24032461
[PubMed - indexed for MEDLINE]
11.

Bioactivity-guided navigation of chemical space.

Bon RS, Waldmann H.

Acc Chem Res. 2010 Aug 17;43(8):1103-14. doi: 10.1021/ar100014h.

PMID:
20481515
[PubMed - indexed for MEDLINE]
12.

Hot spots and transient pockets: predicting the determinants of small-molecule binding to a protein-protein interface.

Metz A, Pfleger C, Kopitz H, Pfeiffer-Marek S, Baringhaus KH, Gohlke H.

J Chem Inf Model. 2012 Jan 23;52(1):120-33. doi: 10.1021/ci200322s. Epub 2011 Dec 27.

PMID:
22087639
[PubMed - indexed for MEDLINE]
13.

Biophysical screening for the discovery of small-molecule ligands.

Ciulli A.

Methods Mol Biol. 2013;1008:357-88. doi: 10.1007/978-1-62703-398-5_13.

PMID:
23729259
[PubMed - indexed for MEDLINE]
14.

In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE.

Hoffer L, Renaud JP, Horvath D.

J Chem Inf Model. 2013 Apr 22;53(4):836-51. doi: 10.1021/ci4000163. Epub 2013 Apr 11.

PMID:
23537132
[PubMed - indexed for MEDLINE]
15.

Efficiency of hit generation and structural characterization in fragment-based ligand discovery.

Larsson A, Jansson A, Åberg A, Nordlund P.

Curr Opin Chem Biol. 2011 Aug;15(4):482-8. doi: 10.1016/j.cbpa.2011.06.008. Epub 2011 Jul 1. Review.

PMID:
21724447
[PubMed - indexed for MEDLINE]
16.

Identification of ligand templates using local structure alignment for structure-based drug design.

Lee HS, Im W.

J Chem Inf Model. 2012 Oct 22;52(10):2784-95. doi: 10.1021/ci300178e. Epub 2012 Sep 28.

PMID:
22978550
[PubMed - indexed for MEDLINE]
Free PMC Article
17.

CBP/p300 TAZ1 domain forms a structured scaffold for ligand binding.

De Guzman RN, Wojciak JM, Martinez-Yamout MA, Dyson HJ, Wright PE.

Biochemistry. 2005 Jan 18;44(2):490-7.

PMID:
15641773
[PubMed - indexed for MEDLINE]
18.

Conformational ensembles, signal transduction and residue hot spots: application to drug discovery.

Acuner Ozbabacan SE, Gursoy A, Keskin O, Nussinov R.

Curr Opin Drug Discov Devel. 2010 Sep;13(5):527-37. Review.

PMID:
20812144
[PubMed - indexed for MEDLINE]
19.

Small-molecule stabilization of protein-protein interactions: an underestimated concept in drug discovery?

Thiel P, Kaiser M, Ottmann C.

Angew Chem Int Ed Engl. 2012 Feb 27;51(9):2012-8. doi: 10.1002/anie.201107616. Epub 2012 Feb 3. Review.

PMID:
22308055
[PubMed - indexed for MEDLINE]
20.

Allosteric conversation in the androgen receptor ligand-binding domain surfaces.

Grosdidier S, Carbó LR, Buzón V, Brooke G, Nguyen P, Baxter JD, Bevan C, Webb P, Estébanez-Perpiñá E, Fernández-Recio J.

Mol Endocrinol. 2012 Jul;26(7):1078-90. doi: 10.1210/me.2011-1281. Epub 2012 May 31.

PMID:
22653923
[PubMed - indexed for MEDLINE]

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