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120 results

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Page 1
1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-di-hydro-1,3-benzo-thia-zol-2-yl-idene]meth-yl}quinolin-1-ium iodide monohydrate.
Shank N, Stadler AL, Barrett SP, Padgett CW. Shank N, et al. IUCrdata. 2022 Aug 16;7(Pt 8):x220797. doi: 10.1107/S2414314622007970. eCollection 2022 Aug. IUCrdata. 2022. PMID: 36340973 Free PMC article.
The title thia-zole orange derivative, bearing an alkene substituent, crystallized as a monohydrate of its iodide salt, namely, (Z)-1-(hex-5-en-1-yl)-4-{[3-methyl-2,3-di-hydro-1,3-benzo-thia-zol-2-yl-idene]meth-yl}quinolin-1-ium iodide monohydrate, C(24)H(25)N(2)S(+).I(-). …
The title thia-zole orange derivative, bearing an alkene substituent, crystallized as a monohydrate of its iodide salt, namely, (Z)-1 …
The structure-function relationship of oncogenic LMTK3.
Ditsiou A, Cilibrasi C, Simigdala N, Papakyriakou A, Milton-Harris L, Vella V, Nettleship JE, Lo JH, Soni S, Smbatyan G, Ntavelou P, Gagliano T, Iachini MC, Khurshid S, Simon T, Zhou L, Hassell-Hart S, Carter P, Pearl LH, Owen RL, Owens RJ, Roe SM, Chayen NE, Lenz HJ, Spencer J, Prodromou C, Klinakis A, Stebbing J, Giamas G. Ditsiou A, et al. Sci Adv. 2020 Nov 13;6(46):eabc3099. doi: 10.1126/sciadv.abc3099. Print 2020 Nov. Sci Adv. 2020. PMID: 33188023 Free PMC article.
Elucidating signaling driven by lemur tyrosine kinase 3 (LMTK3) could help drug development. Here, we solve the crystal structure of LMTK3 kinase domain to 2.1A resolution, determine its consensus motif and phosphoproteome, unveiling in vitro and in vivo LMTK3 substrates. …
Elucidating signaling driven by lemur tyrosine kinase 3 (LMTK3) could help drug development. Here, we solve the crystal structure of …
Crystal structures of WrbA, a spurious target of the salicylidene acylhydrazide inhibitors of type III secretion in Gram-negative pathogens, and verification of improved specificity of next-generation compounds.
Zambelloni R, Beckham KSH, Wu HJ, Elofsson M, Marquez R, Gabrielsen M, Roe AJ. Zambelloni R, et al. Microbiology (Reading). 2022 Jul;168(7). doi: 10.1099/mic.0.001211. Microbiology (Reading). 2022. PMID: 35829699 Free article.
Whilst WrbA is considered an off-target interaction, this study presents the effect of the salicylidne acylhydrazide compounds on the activity of WrbA, along with crystal structures of WrbA from Yersinia pseudotuberculosis and Salmonella serovar Typhimurium; the latter als …
Whilst WrbA is considered an off-target interaction, this study presents the effect of the salicylidne acylhydrazide compounds on the activi …
The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease.
Roe SM, Török Z, McGown A, Horváth I, Spencer J, Pázmány T, Vigh L, Prodromou C. Roe SM, et al. Biomolecules. 2023 Jun 28;13(7):1051. doi: 10.3390/biom13071051. Biomolecules. 2023. PMID: 37509087 Free PMC article.
Recently, the dihydropyridine LA1011 was shown to reduce tau pathology and amyloid plaque formation in transgenic AD mice, probably through its interaction with Hsp90, although the precise mode of action is currently unknown. Here, we present a co-crystal structure of LA10 …
Recently, the dihydropyridine LA1011 was shown to reduce tau pathology and amyloid plaque formation in transgenic AD mice, probably through …
Crystal structure of an Hsp90-nucleotide-p23/Sba1 closed chaperone complex.
Ali MM, Roe SM, Vaughan CK, Meyer P, Panaretou B, Piper PW, Prodromou C, Pearl LH. Ali MM, et al. Nature. 2006 Apr 20;440(7087):1013-7. doi: 10.1038/nature04716. Nature. 2006. PMID: 16625188 Free PMC article.
Although the structures of isolated domains of Hsp90 have been determined, the arrangement and ATP-dependent dynamics of these in the full Hsp90 dimer have been elusive and contentious. Here we present the crystal structure of full-length yeast Hsp90 in complex with an ATP …
Although the structures of isolated domains of Hsp90 have been determined, the arrangement and ATP-dependent dynamics of these in the full H …
FolX from Pseudomonas aeruginosa is octameric in both crystal and solution.
Gabrielsen M, Beckham KS, Cogdell RJ, Byron O, Roe AJ. Gabrielsen M, et al. FEBS Lett. 2012 Apr 24;586(8):1160-5. doi: 10.1016/j.febslet.2012.03.031. Epub 2012 Mar 24. FEBS Lett. 2012. PMID: 22575651 Free PMC article.
FolX encodes an epimerase that forms one step of the tetrahydrofolate biosynthetic pathway, which is of interest as it is an established target for important drugs. Here we report the crystal structure of FolX from the bacterial opportunistic pathogen Pseudomonas aeruginos …
FolX encodes an epimerase that forms one step of the tetrahydrofolate biosynthetic pathway, which is of interest as it is an established tar …
Crystal structure of the catalytic fragment of murine poly(ADP-ribose) polymerase-2.
Oliver AW, Amé JC, Roe SM, Good V, de Murcia G, Pearl LH. Oliver AW, et al. Nucleic Acids Res. 2004 Jan 22;32(2):456-64. doi: 10.1093/nar/gkh215. Print 2004. Nucleic Acids Res. 2004. PMID: 14739238 Free PMC article.
However, with the recent discoveries of PARP-2, which has a similar DNA-damage dependent catalytic activity, and additional members containing the 'PARP catalytic' signature, the isoform selectivity and resultant pharmacological effects of existing inhibitors are brought into que …
However, with the recent discoveries of PARP-2, which has a similar DNA-damage dependent catalytic activity, and additional members containi …
Crystal structure and induction mechanism of AmiC-AmiR: a ligand-regulated transcription antitermination complex.
O'Hara BP, Norman RA, Wan PT, Roe SM, Barrett TE, Drew RE, Pearl LH. O'Hara BP, et al. EMBO J. 1999 Oct 1;18(19):5175-86. doi: 10.1093/emboj/18.19.5175. EMBO J. 1999. PMID: 10508151 Free PMC article.
Under non-inducing or repressing growth conditions, AmiC and AmiR form a complex in which the activity of AmiR is silenced. The crystal structure of the AmiC-AmiR complex identifies AmiR as a new and highly unusual member of the response-regulator family of bacterial signa …
Under non-inducing or repressing growth conditions, AmiC and AmiR form a complex in which the activity of AmiR is silenced. The crystal …
Crystal structure of Ser-22/Ile-25 form crambin confirms solvent, side chain substate correlations.
Yamano A, Heo NH, Teeter MM. Yamano A, et al. J Biol Chem. 1997 Apr 11;272(15):9597-600. doi: 10.1074/jbc.272.15.9597. J Biol Chem. 1997. PMID: 9092482 Free article.
It is not agreed that correlated positions of disordered protein side chains (substate correlations) can be deduced from diffraction data. The pure Ser-22/Ile-25 (SI form) crambin crystal structure confirms correlations deduced for the natural, mixed sequence form of cramb …
It is not agreed that correlated positions of disordered protein side chains (substate correlations) can be deduced from diffraction data. T …
The crystal structure of yeast CCT reveals intrinsic asymmetry of eukaryotic cytosolic chaperonins.
Dekker C, Roe SM, McCormack EA, Beuron F, Pearl LH, Willison KR. Dekker C, et al. EMBO J. 2011 Jun 24;30(15):3078-90. doi: 10.1038/emboj.2011.208. EMBO J. 2011. PMID: 21701561 Free PMC article.
However, the mechanism by which CCT assists folding is distinct from other chaperonins, with no hydrophobic wall lining a potential Anfinsen cage, and a sequential rather than concerted ATP hydrolysis mechanism. We have solved the crystal structure of yeast CCT in complex …
However, the mechanism by which CCT assists folding is distinct from other chaperonins, with no hydrophobic wall lining a potential Anfinsen …
120 results