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CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding.
Ackloo S, Al-Awar R, Amaro RE, Arrowsmith CH, Azevedo H, Batey RA, Bengio Y, Betz UAK, Bologa CG, Chodera JD, Cornell WD, Dunham I, Ecker GF, Edfeldt K, Edwards AM, Gilson MK, Gordijo CR, Hessler G, Hillisch A, Hogner A, Irwin JJ, Jansen JM, Kuhn D, Leach AR, Lee AA, Lessel U, Morgan MR, Moult J, Muegge I, Oprea TI, Perry BG, Riley P, Rousseaux SAL, Saikatendu KS, Santhakumar V, Schapira M, Scholten C, Todd MH, Vedadi M, Volkamer A, Willson TM. Ackloo S, et al. Among authors: schapira m. Nat Rev Chem. 2022 Apr;6(4):287-295. doi: 10.1038/s41570-022-00363-z. Epub 2022 Feb 15. Nat Rev Chem. 2022. PMID: 35783295 Free PMC article.
Structural genomics and drug discovery: all in the family.
Weigelt J, McBroom-Cerajewski LD, Schapira M, Zhao Y, Arrowsmith CH. Weigelt J, et al. Among authors: schapira m. Curr Opin Chem Biol. 2008 Feb;12(1):32-9. doi: 10.1016/j.cbpa.2008.01.045. Epub 2008 Mar 7. Curr Opin Chem Biol. 2008. PMID: 18282486 Review.
Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
Schuetz A, Min J, Allali-Hassani A, Schapira M, Shuen M, Loppnau P, Mazitschek R, Kwiatkowski NP, Lewis TA, Maglathin RL, McLean TH, Bochkarev A, Plotnikov AN, Vedadi M, Arrowsmith CH. Schuetz A, et al. Among authors: schapira m. J Biol Chem. 2008 Apr 25;283(17):11355-63. doi: 10.1074/jbc.M707362200. Epub 2008 Feb 19. J Biol Chem. 2008. PMID: 18285338 Free PMC article.
Structural insights into the inhibited states of the Mer receptor tyrosine kinase.
Huang X, Finerty P Jr, Walker JR, Butler-Cole C, Vedadi M, Schapira M, Parker SA, Turk BE, Thompson DA, Dhe-Paganon S. Huang X, et al. Among authors: schapira m. J Struct Biol. 2009 Feb;165(2):88-96. doi: 10.1016/j.jsb.2008.10.003. Epub 2008 Nov 5. J Struct Biol. 2009. PMID: 19028587 Free PMC article.
Methylation-state-specific recognition of histones by the MBT repeat protein L3MBTL2.
Guo Y, Nady N, Qi C, Allali-Hassani A, Zhu H, Pan P, Adams-Cioaba MA, Amaya MF, Dong A, Vedadi M, Schapira M, Read RJ, Arrowsmith CH, Min J. Guo Y, et al. Among authors: schapira m. Nucleic Acids Res. 2009 Apr;37(7):2204-10. doi: 10.1093/nar/gkp086. Epub 2009 Feb 20. Nucleic Acids Res. 2009. PMID: 19233876 Free PMC article.
Structural biology of human H3K9 methyltransferases.
Wu H, Min J, Lunin VV, Antoshenko T, Dombrovski L, Zeng H, Allali-Hassani A, Campagna-Slater V, Vedadi M, Arrowsmith CH, Plotnikov AN, Schapira M. Wu H, et al. Among authors: schapira m. PLoS One. 2010 Jan 11;5(1):e8570. doi: 10.1371/journal.pone.0008570. PLoS One. 2010. PMID: 20084102 Free PMC article.
Recognition and specificity determinants of the human cbx chromodomains.
Kaustov L, Ouyang H, Amaya M, Lemak A, Nady N, Duan S, Wasney GA, Li Z, Vedadi M, Schapira M, Min J, Arrowsmith CH. Kaustov L, et al. Among authors: schapira m. J Biol Chem. 2011 Jan 7;286(1):521-9. doi: 10.1074/jbc.M110.191411. Epub 2010 Nov 3. J Biol Chem. 2011. PMID: 21047797 Free PMC article.
Epigenetic protein families: a new frontier for drug discovery.
Arrowsmith CH, Bountra C, Fish PV, Lee K, Schapira M. Arrowsmith CH, et al. Among authors: schapira m. Nat Rev Drug Discov. 2012 Apr 13;11(5):384-400. doi: 10.1038/nrd3674. Nat Rev Drug Discov. 2012. PMID: 22498752 Review.
An allosteric inhibitor of protein arginine methyltransferase 3.
Siarheyeva A, Senisterra G, Allali-Hassani A, Dong A, Dobrovetsky E, Wasney GA, Chau I, Marcellus R, Hajian T, Liu F, Korboukh I, Smil D, Bolshan Y, Min J, Wu H, Zeng H, Loppnau P, Poda G, Griffin C, Aman A, Brown PJ, Jin J, Al-Awar R, Arrowsmith CH, Schapira M, Vedadi M. Siarheyeva A, et al. Among authors: schapira m. Structure. 2012 Aug 8;20(8):1425-35. doi: 10.1016/j.str.2012.06.001. Epub 2012 Jul 12. Structure. 2012. PMID: 22795084 Free article.
550 results