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Results: 1 to 20 of 83

1.

Core site-moiety maps reveal inhibitors and binding mechanisms of orthologous proteins by screening compound libraries.

Hsu KC, Cheng WC, Chen YF, Wang HJ, Li LT, Wang WC, Yang JM.

PLoS One. 2012;7(2):e32142. doi: 10.1371/journal.pone.0032142. Epub 2012 Feb 29.

PMID:
22393385
[PubMed - indexed for MEDLINE]
Free PMC Article
2.

Pathway-based screening strategy for multitarget inhibitors of diverse proteins in metabolic pathways.

Hsu KC, Cheng WC, Chen YF, Wang WC, Yang JM.

PLoS Comput Biol. 2013;9(7):e1003127. doi: 10.1371/journal.pcbi.1003127. Epub 2013 Jul 4.

PMID:
23861662
[PubMed - indexed for MEDLINE]
Free PMC Article
3.

Discovery of Helicobacter pylori shikimate kinase inhibitors: bioassay and molecular modeling.

Han C, Zhang J, Chen L, Chen K, Shen X, Jiang H.

Bioorg Med Chem. 2007 Jan 15;15(2):656-62. Epub 2006 Nov 1.

PMID:
17098431
[PubMed - indexed for MEDLINE]
4.

Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism.

Cheng WC, Chen YF, Wang HJ, Hsu KC, Lin SC, Chen TJ, Yang JM, Wang WC.

PLoS One. 2012;7(3):e33481. doi: 10.1371/journal.pone.0033481. Epub 2012 Mar 16.

PMID:
22438938
[PubMed - indexed for MEDLINE]
Free PMC Article
5.

SiMMap: a web server for inferring site-moiety map to recognize interaction preferences between protein pockets and compound moieties.

Chen YF, Hsu KC, Lin SR, Wang WC, Huang YC, Yang JM.

Nucleic Acids Res. 2010 Jul;38(Web Server issue):W424-30. doi: 10.1093/nar/gkq480. Epub 2010 Jun 2.

PMID:
20519201
[PubMed - indexed for MEDLINE]
Free PMC Article
6.

Synthesis and characterization of cytidine derivatives that inhibit the kinase IspE of the non-mevalonate pathway for isoprenoid biosynthesis.

Crane CM, Hirsch AK, Alphey MS, Sgraja T, Lauw S, Illarionova V, Rohdich F, Eisenreich W, Hunter WN, Bacher A, Diederich F.

ChemMedChem. 2008 Jan;3(1):91-101.

PMID:
18033714
[PubMed - indexed for MEDLINE]
7.

Mycobacterium tuberculosis shikimate kinase inhibitors: design and simulation studies of the catalytic turnover.

Blanco B, Prado V, Lence E, Otero JM, Garcia-Doval C, van Raaij MJ, Llamas-Saiz AL, Lamb H, Hawkins AR, González-Bello C.

J Am Chem Soc. 2013 Aug 21;135(33):12366-76. doi: 10.1021/ja405853p. Epub 2013 Aug 9.

PMID:
23889343
[PubMed - indexed for MEDLINE]
8.

Identification of new potential Mycobacterium tuberculosis shikimate kinase inhibitors through molecular docking simulations.

Vianna CP, de Azevedo WF Jr.

J Mol Model. 2012 Feb;18(2):755-64. doi: 10.1007/s00894-011-1113-5. Epub 2011 May 19.

PMID:
21594693
[PubMed - indexed for MEDLINE]
9.

Moiety-linkage map reveals selective nonbisphosphonate inhibitors of human geranylgeranyl diphosphate synthase.

Chen SH, Lin SW, Lin SR, Liang PH, Yang JM.

J Chem Inf Model. 2013 Sep 23;53(9):2299-311. doi: 10.1021/ci400227r. Epub 2013 Aug 26.

PMID:
23919676
[PubMed - indexed for MEDLINE]
10.

Structure-based in silico design of a high-affinity dipeptide inhibitor for novel protein drug target Shikimate kinase of Mycobacterium tuberculosis.

Kumar M, Verma S, Sharma S, Srinivasan A, Singh TP, Kaur P.

Chem Biol Drug Des. 2010 Sep 1;76(3):277-84. doi: 10.1111/j.1747-0285.2010.01005.x. Epub 2010 Jul 5.

PMID:
20626408
[PubMed - indexed for MEDLINE]
11.

Targeting aurora2 kinase in oncogenesis: a structural bioinformatics approach to target validation and rational drug design.

Vankayalapati H, Bearss DJ, Saldanha JW, Muñoz RM, Rojanala S, Von Hoff DD, Mahadevan D.

Mol Cancer Ther. 2003 Mar;2(3):283-94.

PMID:
12657723
[PubMed - indexed for MEDLINE]
Free Article
12.

Integrative computational protocol for the discovery of inhibitors of the Helicobacter pylori nickel response regulator (NikR).

Segura-Cabrera A, Guo X, Rojo-Domínguez A, Rodríguez-Pérez MA.

J Mol Model. 2011 Dec;17(12):3075-84. doi: 10.1007/s00894-011-0962-2. Epub 2011 Mar 1.

PMID:
21360181
[PubMed - indexed for MEDLINE]
13.

Active site labeling of the gentamicin resistance enzyme AAC(6')-APH(2") by the lipid kinase inhibitor wortmannin.

Boehr DD, Lane WS, Wright GD.

Chem Biol. 2001 Aug;8(8):791-800.

PMID:
11514228
[PubMed - indexed for MEDLINE]
Free Article
14.

Biochemical characterization and inhibitor discovery of shikimate dehydrogenase from Helicobacter pylori.

Han C, Wang L, Yu K, Chen L, Hu L, Chen K, Jiang H, Shen X.

FEBS J. 2006 Oct;273(20):4682-92. Epub 2006 Sep 14.

PMID:
16972983
[PubMed - indexed for MEDLINE]
15.

Identification of inhibitor binding sites of the cAMP-specific phosphodiesterase 4.

Richter W, Unciuleac L, Hermsdorf T, Kronbach T, Dettmer D.

Cell Signal. 2001 Apr;13(4):287-97.

PMID:
11306246
[PubMed - indexed for MEDLINE]
16.

Construction and prediction of protein-protein interaction maps.

Schächter V.

Ernst Schering Res Found Workshop. 2002;(38):191-220. No abstract available.

PMID:
12061003
[PubMed - indexed for MEDLINE]
17.

Toward the virtual screening of potential drugs in the homology modeled NAD+ dependent DNA ligase from Mycobacterium tuberculosis.

Singh V, Somvanshi P.

Protein Pept Lett. 2010 Feb;17(2):269-76.

PMID:
20214650
[PubMed - indexed for MEDLINE]
18.

FINDSITE: a threading-based approach to ligand homology modeling.

Brylinski M, Skolnick J.

PLoS Comput Biol. 2009 Jun;5(6):e1000405. doi: 10.1371/journal.pcbi.1000405. Epub 2009 Jun 5.

PMID:
19503616
[PubMed - indexed for MEDLINE]
Free PMC Article
19.

Probing the donor and acceptor substrate specificity of the γ-glutamyl transpeptidase.

Hu X, Legler PM, Khavrutskii I, Scorpio A, Compton JR, Robertson KL, Friedlander AM, Wallqvist A.

Biochemistry. 2012 Feb 14;51(6):1199-212. doi: 10.1021/bi200987b. Epub 2012 Feb 2.

PMID:
22257032
[PubMed - indexed for MEDLINE]
20.

Biochemical and X-ray crystallographic studies on shikimate kinase: the important structural role of the P-loop lysine.

Krell T, Maclean J, Boam DJ, Cooper A, Resmini M, Brocklehurst K, Kelly SM, Price NC, Lapthorn AJ, Coggins JR.

Protein Sci. 2001 Jun;10(6):1137-49.

PMID:
11369852
[PubMed - indexed for MEDLINE]
Free PMC Article

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