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Items: 1 to 20 of 94

1.

An enriched structural kinase database to enable kinome-wide structure-based analyses and drug discovery.

Brooijmans N, Chang YW, Mobilio D, Denny RA, Humblet C.

Protein Sci. 2010 Apr;19(4):763-74. doi: 10.1002/pro.355.

2.

KLIFS: a knowledge-based structural database to navigate kinase-ligand interaction space.

van Linden OP, Kooistra AJ, Leurs R, de Esch IJ, de Graaf C.

J Med Chem. 2014 Jan 23;57(2):249-77. doi: 10.1021/jm400378w. Epub 2013 Sep 20.

PMID:
23941661
3.

Structural basis of constitutive activity and a unique nucleotide binding mode of human Pim-1 kinase.

Qian KC, Wang L, Hickey ER, Studts J, Barringer K, Peng C, Kronkaitis A, Li J, White A, Mische S, Farmer B.

J Biol Chem. 2005 Feb 18;280(7):6130-7. Epub 2004 Nov 3.

4.

Pocketome of human kinases: prioritizing the ATP binding sites of (yet) untapped protein kinases for drug discovery.

Volkamer A, Eid S, Turk S, Jaeger S, Rippmann F, Fulle S.

J Chem Inf Model. 2015 Mar 23;55(3):538-49. doi: 10.1021/ci500624s. Epub 2015 Jan 20.

PMID:
25557645
5.

Scaffold mining of kinase hinge binders in crystal structure database.

Xing L, Rai B, Lunney EA.

J Comput Aided Mol Des. 2014 Jan;28(1):13-23. doi: 10.1007/s10822-013-9700-4. Epub 2013 Dec 29.

PMID:
24375079
6.
7.

Non-ATP competitive protein kinase inhibitors.

Garuti L, Roberti M, Bottegoni G.

Curr Med Chem. 2010;17(25):2804-21. Review.

PMID:
20586715
8.

Minimizing false positives in kinase virtual screens.

Perola E.

Proteins. 2006 Aug 1;64(2):422-35.

PMID:
16708364
9.

Type-II kinase inhibitor docking, screening, and profiling using modified structures of active kinase states.

Kufareva I, Abagyan R.

J Med Chem. 2008 Dec 25;51(24):7921-32. doi: 10.1021/jm8010299.

10.

Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias.

Klopffleisch K, Issinger OG, Niefind K.

Acta Crystallogr D Biol Crystallogr. 2012 Aug;68(Pt 8):883-92. doi: 10.1107/S0907444912016587. Epub 2012 Jul 7.

PMID:
22868753
12.

Structural elucidation of the DFG-Asp in and DFG-Asp out states of TAM kinases and insight into the selectivity of their inhibitors.

Messoussi A, Peyronnet L, Feneyrolles C, Chevé G, Bougrin K, Yasri A.

Molecules. 2014 Oct 10;19(10):16223-39. doi: 10.3390/molecules191016223.

13.

Enzymatic activity with an incomplete catalytic spine: insights from a comparative structural analysis of human CK2α and its paralogous isoform CK2α'.

Bischoff N, Raaf J, Olsen B, Bretner M, Issinger OG, Niefind K.

Mol Cell Biochem. 2011 Oct;356(1-2):57-65. doi: 10.1007/s11010-011-0948-5. Epub 2011 Jul 8.

PMID:
21739153
14.

Structures of thermophilic and mesophilic adenylate kinases from the genus Methanococcus.

Criswell AR, Bae E, Stec B, Konisky J, Phillips GN Jr.

J Mol Biol. 2003 Jul 25;330(5):1087-99.

PMID:
12860130
16.

In silico characterization of atypical kinase PFD0975w from Plasmodium kinome: a suitable target for drug discovery.

Trivedi V, Nag S.

Chem Biol Drug Des. 2012 Apr;79(4):600-9. doi: 10.1111/j.1747-0285.2012.01321.x. Epub 2012 Feb 1.

PMID:
22233458
17.

Molecular modeling and site-directed mutagenesis studies of a phorbol ester-binding site in protein kinase C.

Wang S, Kazanietz MG, Blumberg PM, Marquez VE, Milne GW.

J Med Chem. 1996 Jun 21;39(13):2541-53.

PMID:
8691452
18.

A protein relational database and protein family knowledge bases to facilitate structure-based design analyses.

Mobilio D, Walker G, Brooijmans N, Nilakantan R, Denny RA, Dejoannis J, Feyfant E, Kowticwar RK, Mankala J, Palli S, Punyamantula S, Tatipally M, John RK, Humblet C.

Chem Biol Drug Des. 2010 Aug;76(2):142-53. doi: 10.1111/j.1747-0285.2010.00994.x.

PMID:
20629978
19.

Structural basis for compound C inhibition of the human AMP-activated protein kinase α2 subunit kinase domain.

Handa N, Takagi T, Saijo S, Kishishita S, Takaya D, Toyama M, Terada T, Shirouzu M, Suzuki A, Lee S, Yamauchi T, Okada-Iwabu M, Iwabu M, Kadowaki T, Minokoshi Y, Yokoyama S.

Acta Crystallogr D Biol Crystallogr. 2011 May;67(Pt 5):480-7. doi: 10.1107/S0907444911010201. Epub 2011 Apr 14.

PMID:
21543851

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