Publications

Conformational landscape of multidomain SMAD proteins

Tiago Gomes, Pau Martin-Malpartida, Lidia Ruiz, Eric Aragón, Tiago N Cordeiro, Maria J Macias

Computational and Structural Biotechnology Journal,19,2021,5210-5224, doi: 10.1016/j.csbj.2021.09.009

Structure-based design of a Cortistatin analogue with immunomodulatory activity in models of inflammatory bowel disease

Álvaro Rol, Toni Todorovski, Pau Martin-Malpartida, Elena González-Rey, Eric Aragon, Xavier Verdaguer, Mariona Vallès-Miret, Josep Farrera-Sinfreu, Eduard Puig, Jimena Fernández-Carneado, Berta Ponsati, Mario Delgado, Antoni Riera, Maria J Macias

Nat Commun. 2021 Mar 25;12(1):1869, doi: 10.1038/s41467-021-22076-5

Structures of the germline-specific Deadhead and thioredoxin T proteins from Drosophila melanogaster reveal unique features among thioredoxins

Regina Freier , Eric Aragón , Błażej Bagiński , Radoslaw Pluta , Pau Martin-Malpartida , Lidia Ruiz , Miriam Condeminas , Cayetano Gonzalez , Maria J Macias

IUCrJ. 2021 Feb 11;8(Pt 2):281-294, doi: 10.1107/S2052252521000221

Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes

Lidia Ruiz, Zuzanna Kaczmarska, Tiago Gomes, Eric Aragón, Carles Torner, Regina Freier, Błażej Bagiński, Pau Martin-Malpartida, Natalia de Martin Garrido, José A Márquez, Tiago Cordeiro, Radoslaw Pluta, Maria J Macias

Comput Struct Biotechnol J. 2021 Jan 6;19:632-646, doi: 10.1016/j.csbj.2020.12.044

Synthesis of Stable Cholesteryl-Polyethylene Glycol-Peptide Conjugates with Non-Disperse Polyethylene Glycol Lengths

Edgar Cristóbal-Lecina , Daniel Pulido , Pau Martin-Malpartida , Maria J Macias , Fernando Albericio , Miriam Royo

ACS Omega. 2020 Mar 6;5(10):5508-5519., doi: 10.1021/acsomega.0c00130

Structural basis for distinct roles of SMAD2 and SMAD3 in FOXH1 pioneer-directed TGF-β signaling

Eric Aragón, Qiong Wang, Yilong Zou, Sophie M Morgani, Lidia Ruiz, Zuzanna Kaczmarska, Jie Su, Carles Torner, Lin Tian, Jing Hu, Weiping Shu, Saloni Agrawal, Tiago Gomes, José A Márquez, Anna-Katerina Hadjantonakis, Maria J Macias, Joan Massagué

Genes & Dev. 2019. 33: 1506-1524, doi:10.1101/gad.330837.119

Binding site plasticity in viral PPxY Late domain recognition by the third WW domain of human NEDD4

Manuel Iglesias-Bexiga, Andrés Palencia, Carles Corbi-Verge, Pau Martin-Malpartida, Francisco J Blanco, Maria J Macias, Eva S Cobos, Irene Luque

Sci Rep 9, 15076 (2019) doi:10.1038/s41598-019-50701-3

TGIF1 homeodomain interacts with Smad MH1 domain and represses TGF-β signaling

Ewelina Guca, David Suñol, Lidia Ruiz, Agnieszka Konkol, Jorge Cordero, Carles Torner, Eric Aragon, Pau Martin-Malpartida, Antoni Riera, Maria J Macias

Nucleic Acids Research, Volume 46, Issue 17, Pages 9220-9235 doi: 10.1093/nar/gky680

Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors..

Martin-Malpartida P, Batet M, Kaczmarska Z, Freier R, Gomes T, Aragón E, Zou Y, Wang Q, Xi Q, Ruiz L, Vea A, Márquez JA, Massagué J, Macias MJ

Nat Commun. 2017 Dec 12;8(1):2070. doi: 10.1038/s41467-017-02054-6.

Synthesis of an EDTA-like chelating peptidomimetic building block suitable for solid-phase peptide synthesis.

Spengler J, Barker M, Schelhorn C, García J, Macias MJ, Albericio F.

Chem Commun (Camb). 2017 Feb 23;53(17):2634-2636. doi: 10.1039/c6cc10203d.

Peptide aromatic interactions modulated by fluorinated residues: Synthesis, structure and biological activity of Somatostatin analogs containing 3-(3',5'difluorophenyl)-alanine.

Martín-Gago P, Rol Á, Todorovski T, Aragón E, Martin-Malpartida P, Verdaguer X, Vallès Miret M, Fernández-Carneado J, Ponsati B, Macias MJ, Riera A.

Sci Rep. 2016 Jun 7;6:27285. doi: 10.1038/srep27285.

ADP-ribose-derived nuclear ATP synthesis by NUDIX5 is required for chromatin remodeling.

Wright RH, Lioutas A, Le Dily F, Soronellas D, Pohl A, Bonet J, Nacht AS, Samino S, Font-Mateu J, Vicent GP, Wierer M, Trabado MA, Schelhorn C, Carolis C, Macias MJ, Yanes O, Oliva B, Beato M.

Science. 2016 Jun 3;352(6290):1221-5. doi: 10.1126/science.aad9335.

Preventing fibril formation of a protein by selective mutation.

Maisuradze GG, Medina J, Kachlishvili K, Krupa P, Mozolewska MA, Martin-Malpartida P, Maisuradze L, Macias MJ, Scheraga HA.

Proc Natl Acad Sci U S A. 2015 Nov 3;112(44):13549-54. doi: 10.1073/pnas.1518298112. Epub 2015 Oct 19.

Structural Analysis of the Pin1-CPEB1 interaction and its potential role in CPEB1 degradation.

Schelhorn C, Martín-Malpartida P, Suñol D, Macias MJ.

Sci Rep. 2015 Oct 12;5:14990. doi: 10.1038/srep14990.

Addition of HOBt improves the conversion of thioester-Amine chemical ligation.

Todorovski T, Suñol D, Riera A, Macias MJ.

Biopolymers. 2015 Nov;104(6):693-702. doi: 10.1002/bip.22745.

Structural determinants of Smad function in TGF-β signaling

Maria J. Macias, Pau Martin-Malpartida, Joan Massagué

TIBS , June 2015,40(6):296–308.doi:10.1016/j.tibs.2015.03.012

Structure of the N-terminal domain of the protein Expansion: an 'Expansion' to the Smad MH2 fold

Beich-Frandsen M, Aragón E, Llimargas M, Benach J, Riera A, Pous J, Macias MJ

Acta Crystallogr D Biol Crystallogr. 2015 Apr;71(Pt 4):844-53. doi: 10.1107/S1399004715001443. Epub 2015 Mar 26.

Folding kinetics of WW domains with the united residue force field for bridging microscopic motions and experimental measurements.

Zhou R, Maisuradze GG, Suñol D, Todorovski T, Macias MJ, Xiao Y, Scheraga HA, Czaplewski C, Liwo A.

Proc Natl Acad Sci U S A. 2014 Dec 23;111(51):18243-8. doi: 10.1073/pnas.1420914111. Epub 2014 Dec 8

Structural basis of the activation and degradation mechanisms of the E3 ubiquitin ligase Nedd4L.

Escobedo A, Gomes T, Aragón E, Martín-Malpartida P, Ruiz L, Macias MJ

Structure. 2014 Oct 7;22(10):1446-57. doi: 10.1016/j.str.2014.08.016

RNA recognition and self-association of CPEB4 is mediated by its tandem RRM domains.

Schelhorn C, Gordon JM, Ruiz L, Alguacil J, Pedroso E, Macias MJ

Nucleic Acids Res. 2014 Sep;42(15):10185-95. doi: 10.1093/nar/gku700. Epub 2014 Jul 31

Identification of novel non-canonical RNA-binding sites in Gemin5 involved in internal initiation of translation.

Fernandez-Chamorro J, Piñeiro D, Gordon JM, Ramajo J, Francisco-Velilla R, Macias MJ, Martinez-Salas E.

Nucleic Acids Res. 2014 May;42(9):5742-54. doi: 10.1093/nar/gku177. Epub 2014 Mar 5

A tetradecapeptide Somatostatin dicarba analog: Synthesis, structural impact and biological activity

Pablo Martín-Gago, Rosario Ramón, Eric Aragón, Jimena Fernández-Carneado, Pau Martin-Malpartida, Xavier Verdaguer, Pilar López-Ruiz, Begoña Colás, María Alicia Cortes, Berta Ponsati Maria J. Macias and Antoni Riera.

Bioorg. Med. Chem. Lett. (2013), doi:10.1016/j.bmcl.2013.11.065

Insights into Structure-Activity Relationships of Somatostatin Analogs Containing Mesitylalanine

Pablo Martín-Gago, Eric Aragón, Marc Gomez-Caminals, Jimena Fernández-Carneado, Rosario Ramón, Pau Martin-Malpartida, Xavier Verdaguer, Pilar López-Ruiz, Begoña Colás, María Alicia Cortes,Berta Ponsati, Maria J. Macias and Antoni Riera. (both corresponding authors)

Molecules 2013, 18(12), 14564-14584; doi:10.3390/molecules181214564

Structural basis for the versatile interactions of SMAD7 with regulator WW domains in TGF-β Pathways.

Aragón E, Goerner N, Xi Q, Gomes T, Gao S, Massagué J, Macias MJ. (both corresponding authors)

Structure 2012 Oct 10;20(10):1726-36.

The FF4 and FF5 domains of transcription elongation regulator 1 (TCERG1) target proteins to the periphery of speckles.

Sánchez-Hernández N, Ruiz L, Sánchez-Álvarez M, Montes M, Macias MJ, Hernández-Munain C, Suñé C.

J Biol Chem. 2012 May 18;287(21):17789-800. PMID:22453921

Fine-tuning the π-π Aromatic Interactions in Peptides: New Somatostatin Analogs Containing Mesityl Alanine

Martín-Gago P, Gomez-Caminals M, Ramón R, Verdaguer X, Martin-Malpartida P, Aragón E, Fernández-Carneado J, Ponsati B, López-Ruiz P, Cortes M A, Colas B, Macias MJ and Riera A. (both corresponding authors)

Angewadte Chemie International Edition Engl. 2012 Feb 20;51(8):1977.

A SMAD action-turnover switch operated by WW domain readers of a phosphoserine code

Aragón E., Goerner, N., Zaromytidou, A.I., Xi, Q., Escobedo A., Massagué, J. and Macias, M.J. (both corresponding authors)

Genes and Development 2011 Jun 15;25(12):1275-88.

Solution structure of the fourth FF domain of yeast Prp40 splicing factor.

Bonet R, Ruiz L, Morales B, Macias MJ.

Proteins. 2009 Dec;77(4):1000-3. PMID:19722265

Ubiquitin ligase Nedd4L targets activated Smad2/3 to limit TGF-beta signaling.

Gao S, Alarcón C, Sapkota G, Rahman S, Chen PY, Goerner N, Macias MJ, Erdjument-Bromage H, Tempst P, Massagué J.

Mol Cell. 2009 Nov 13;36(3):457-68. PMID: 19917253

Nuclear CDKs drive Smad transcriptional activation and turnover in BMP and TGF-β pathways

Alarcón C, Zaromytidou AI, Xi Q, Gao S, Yu J, Fujisawa S, Barlas A, Miller AN, Manova-Todorova K, Macias MJ, Sapkota G, Pan D, Massagué J.

Cell. 2009 Nov 13;139(4):757-69. PMID: 1991416

NMR structural studies on human p190-A RhoGAP FF1 revealed that domain phosphorylation by the PDGF-receptor alpha requires its previous unfolding.

Bonet R, Ruiz L, Aragón E, Martín-Malpartida P, Macias MJ.

J Mol Biol. 2009 Apr 21. PMID: 19393245

Solution structure of the yeast URN1 splicing factor FF domain: comparative analysis of distributions in FF domain structures-FFs and SURPs, two domains with a similar fold.

Bonet R, Ramirez-Espain X, Macias MJ.

Proteins. 2008 Dec;73(4):1001-9. PMID: 18536009

Structural characterization of a new binding motif and a novel binding mode in group 2 WW domains.

Ramirez-Espain X, Ruiz L, Martin-Malpartida P, Oschkinat H, Macias MJ.

J Mol Biol. 2007 Nov 9;373(5):1255-68. Epub 2007 Aug 29. PMID: 17915251

NMR Structural Studies of the ItchWW3 Domain Reveal that Phosphorylation at T30 Inhibits the Interaction with PPxY-Containing Ligands.

Morales B, Ramirez-Espain X, Shaw AZ, Martin-Malpartida P, Yraola F, Sanchez-Tillo E, Farrera C, Celada A, Royo M, Macias MJ.

Structure. 2007 Apr;15(4):473-83. PMID: 17437719

Structure of the dimeric exonuclease TREX1 in complex with DNA displays a proline-rich binding site for WW domains.

Brucet M, Querol-Audi J, Serra M, Ramirez-Espain X, Bertlik K, Ruiz L, Lloberas J, Macias MJ, Fita I, Celada A.

J Biol Chem. 2007 Mar 13. PMID: 17355961

Myotonia-related mutations in the distal C-terminus of ClC-1 and ClC-0 chloride channels affect the structure of a poly-proline helix.

Macias MJ, Teijido O, Zifarelli G, Martin P, Ramirez-Espain X, Zorzano A, Palacin M, Pusch M, Estevez R.

Biochem J. 2007 Apr 1;403(1):79-87. PMID: 17107341

The-structure of PRP40 FF1 domain and its interaction with the CRN-TPR1 motif of CLF1 gives a new insight into the binding mode of FF domains.

Gasch A, Wiesner S, Martin-Malpartida P, Ramirez-Espain X, Ruiz L, Macias MJ.

J Biol Chem. 2005 Oct 27. PMID: 16253993

Phosphorylation of either Ser16 or Thr30 does not disrupt the structure of the Itch E3 ubiquitin ligase third WW domain.

Shaw AZ, Martin-Malpartida P, Morales B, Yraola F, Royo M, Macias MJ.

Proteins. 2005 Aug 15;60(3):558-60. PMID: 15971201

Structure and dynamics of the human pleckstrin DEP domain: distinct molecular features of a novel DEP domain subfamily.

Civera C, Simon B, Stier G, Sattler M, Macias MJ.

Proteins. 2005 Feb 1;58(2):354-66. PMID: 15573383

Solution structure and ligand recognition of the WW domain pair of the yeast splicing factor Prp40.

Wiesner S, Stier G, Sattler M, Macias MJ.

J Mol Biol. 2002 Dec 6;324(4):807-22. PMID: 12460579

WW and SH3 domains, two different scaffolds to recognize proline-rich ligands.

Macias MJ, Wiesner S, Sudol M.

FEBS Lett. 2002 Feb 20;513(1):30-7. Review. PMID: 11911877

Synthesis and properties of oligonucleotides containing 8-bromo-2'-deoxyguanosine.

Fabrega C, Macias MJ, Eritja R.

Nucleosides Nucleotides Nucleic Acids. 2001 Mar;20(3):251-60. PMID: 11393401

Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.

Pires JR, Taha-Nejad F, Toepert F, Ast T, Hoffmuller U, Schneider-Mergener J, Kuhne R, Macias MJ, Oschkinat H.

J Mol Biol. 2001 Dec 14;314(5):1147-56. PMID: 11743730

Ultrafast folding of WW domains without structured aromatic clusters in the denatured state.

Ferguson N, Johnson CM, Macias M, Oschkinat H, Fersht A.

Proc Natl Acad Sci U S A. 2001 Nov 6;98(23):13002-7. Epub 2001 Oct 30. PMID: 11687613

Structural analysis of WW domains and design of a WW prototype.

Macias MJ, Gervais V, Civera C, Oschkinat H.

Nat Struct Biol. 2000 May;7(5):375-9. PMID: 10802733

Theoretical calculations, synthesis and base pairing properties of oligonucleotides containing 8-amino-2'-deoxyadenosine.

Garcia RG, Ferrer E, Macias MJ, Eritja R, Orozco M.

Nucleic Acids Res. 1999 May 1;27(9):1991-8. PMID: 10198432

The three-dimensional structure of the HRDC domain and implications for the Werner and Bloom syndrome proteins.

Liu Z, Macias MJ, Bottomley MJ, Stier G, Linge JP, Nilges M, Bork P, Sattler M.

Structure Fold Des. 1999 Dec 15;7(12):1557-66. PMID: 10647186

A novel NMR experiment for the sequential assignment of proline residues and proline stretches in 13C/15N-labeled proteins.

Bottomley MJ, Macias MJ, Liu Z, Sattler M.

J Biomol NMR. 1999 Apr;13(4):381-5. PMID: 10353197

Specific interactions between the syntrophin PDZ domain and voltage-gated sodium channels.

Schultz J, Hoffmuller U, Krause G, Ashurst J, Macias MJ, Schmieder P, Schneider-Mergener J, Oschkinat H.

Nat Struct Biol. 1998 Jan;5(1):19-24. PMID: 9437424

A small region in phosducin inhibits G-protein betagamma-subunit function.

Bluml K, Schnepp W, Schroder S, Beyermann M, Macias M, Oschkinat H, Lohse MJ.

EMBO J. 1997 Aug 15;16(16):4908-15. PMID: 9305633

Automated NOESY interpretation with ambiguous distance restraints: the refined NMR solution structure of the pleckstrin homology domain from beta-spectrin.

Nilges M, Macias MJ, O'Donoghue SI, Oschkinat H.

J Mol Biol. 1997 Jun 13;269(3):408-22. PMID: 9199409

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Publications