PDB_ID PUBMED_CID STRUCTURE TITLE DEPOSITION DATE RELEASE DATE AUTHORS CITATION TITLE JOURNAL YEAR VOLUME FIRST PAGE LAST PAGE 3ZKE 23482567 Structure of LC8 in complex with Nek9 peptide 2013-01-22 2013-03-20 Gallego, P.,Velazquez-Campoy, A.,Regue, L.,Roig, J.,Reverter, D. Structural Analysis of the Regulation of the Dynll/Lc8 Binding to Nek9 by Phosphorylation J.Biol.Chem. 2013 288 12283 0 3ZKF 23482567 Structure of LC8 in complex with Nek9 phosphopeptide 2013-01-22 2013-03-20 Gallego, P.,Velazquez-Campoy, A.,Regue, L.,Roig, J.,Reverter, D. Structural Analysis of the Regulation of the Dynll/Lc8 Binding to Nek9 by Phosphorylation J.Biol.Chem. 2013 288 12283 0 4HVU 23633584 Crystal structure of the T98D c-Src-SH3 domain mutant in complex with the high affinity peptide APP12 2012-11-07 2013-05-01 Bacarizo, J.,Camara-Artigas, A. Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II. Acta Crystallogr.,Sect.D 2013 69 756 766 4HVW 23633584 Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide VSL12 2012-11-07 2013-05-01 Bacarizo, J.,Camara-Artigas, A. Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II. Acta Crystallogr.,Sect.D 2013 69 756 766 4I9C 23526880 Crystal structure of aspartyl phosphate phosphatase F from B.subtilis in complex with its inhibitory peptide 2012-12-05 2013-11-20 Gallego del Sol, F.,Marina, A. Structural basis of Rap phosphatase inhibition by Phr peptides Plos Biol. 2013 11 0 0 3ZO5 24424631 Structure of SENP2-Loop1 in complex with preSUMO-2 2013-02-20 2014-01-29 Alegre, K.O.,Reverter, D. Structural Insights Into the Senp6 Loop1 Structure in Complex with Sumo2. Protein Sci. 2014 23 433 0 4J9G Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH7 2013-02-16 2014-01-29 Camara-Artigas, A. Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 To be Published 0 0 0 0 4LDY 24485461 Crystal structure of the DNA binding domain of the G245A mutant of arabidopsis thaliana auxin reponse factor 1 2013-06-25 2014-02-12 Boer, D.R.,Freire-Rios, A.,van den Berg, W.A.,Saaki, T.,Manfield, I.W.,Kepinski, S.,Lopez-Vidrieo, I.,Franco-Zorrilla, J.M.,de Vries, S.C.,Solano, R.,Weijers, D.,Coll, M. Structural Basis for DNA Binding Specificity by the Auxin-Dependent ARF Transcription Factors. Cell(Cambridge,Mass.) 2014 156 577 589 4NYZ 24600002 The EMCV 3Dpol structure with altered motif A conformation at 2.15A resolution 2013-12-11 2014-03-19 Vives-Adrian, L.,Lujan, C.,Oliva, B.,van der Linden, L.,Selisko, B.,Coutard, B.,Canard, B.,van Kuppeveld, F.J.,Ferrer-Orta, C.,Verdaguer, N. The crystal structure of a cardiovirus RNA-dependent RNA polymerase reveals an unusual conformation of the polymerase active site J.Virol. 2014 88 5595 5607 4NZ0 24600002 The EMCV 3Dpol structure at 2.8A resolution 2013-12-11 2014-03-19 Vives-Adrian, L.,Lujan, C.,Oliva, B.,van der Linden, L.,Selisko, B.,Coutard, B.,Canard, B.,van Kuppeveld, F.J.,Ferrer-Orta, C.,Verdaguer, N. The crystal structure of a cardiovirus RNA-dependent RNA polymerase reveals an unusual conformation of the polymerase active site J.Virol. 2014 88 5595 5607 4CIW 24689821 Crystal structure of Mycobacterium tuberculosis type 2 dehydroquinase in complex with (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid 2013-12-17 2014-04-16 Blanco, B.,Sedes, A.,Peon, A.,Otero, J.M.,van Raaij, M.J.,Thompson, P.,Hawkins, A.R.,Gonzalez-Bello, C. Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors. J. Med. Chem. 2014 57 3494 3510 4OCD 24914972 In and Out the minor groove: Interaction of an AT rich-DNA with the CD27 drug 2014-01-08 2014-06-11 Acosta-Reyes, F.J.,Dardonville, C.,de Koning, H.P.,Natto, M.,Subirana, J.A.,Campos, J.L. In and out of the minor groove: interaction of an AT-rich DNA with the drug CD27 Acta Crystallogr.,Sect.D 2014 0 1614 1621 4KUV Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor 2013-05-22 2014-06-25 Ferraroni, M.,Supuran, C.T.,Carta, F.,Bozdag, M.,Scozzafava, A. New classes of carbonic anhydrase inhibitors to be published 0 0 0 0 4KTV 25075345 Structural insights of MAT enzymes: MATa2b complexed with adenosine and pyrophosphate 2013-05-21 2014-07-16 Murray, B.,Antonyuk, S.V.,Marina, A.,Van Liempd, S.M.,Lu, S.C.,Mato, J.M.,Hasnain, S.S.,Rojas, A.L. Structure and function study of the complex that synthesizes S-adenosylmethionine. IUCrJ 2014 1 240 249 4QHG 25159620 Crystal structure of Methanocaldococcus jannaschii dimeric selecase 2014-05-28 2014-07-16 Lopez-Pelegrin, M.,Cerda-Costa, N.,Cintas-Pedrola, A.,Herranz-Trillo, F.,Bernado, P.,Peinado, J.R.,Arolas, J.L.,Gomis-Ruth, F.X. Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase Angew.Chem.Int.Ed.Engl. 2014 53 10624 10630 4QHJ 25159620 Crystal structure of Methanocaldococcus jannaschii selecase mutant I100F+H107F 2014-05-28 2014-07-16 Lopez-Pelegrin, M.,Cerda-Costa, N.,Cintas-Pedrola, A.,Herranz-Trillo, F.,Bernado, P.,Peinado, J.R.,Arolas, J.L.,Gomis-Ruth, F.X. Multiple stable conformations account for reversible concentration-dependent oligomerization and autoinhibition of a metamorphic metallopeptidase Angew.Chem.Int.Ed.Engl. 2014 53 10624 10630 4CFO 24988330 Structure of Lytic Transglycosylase MltC from Escherichia coli in complex with tetrasaccharide at 2.9 A resolution. 2013-11-19 2014-07-23 Artola-Recolons, C.,Lee, M.,Bernardo-Garcia, N.,Blazquez, B.,Hesek, D.,Bartual, S.G.,Mahasenan, K.V.,Lastochkin, E.,Pi, H.,Boggess, B.,Meindl, K.,Uson, I.,Fisher, J.F.,Mobashery, S.,Hermoso, J.A. Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli. Acs Chem.Biol. 2014 9 2058 0 4CFP 24988330 Crystal structure of MltC in complex with tetrasaccharide at 2.15 A resolution 2013-11-19 2014-07-23 Artola-Recolons, C.,Lee, M.,Bernardo-Garcia, N.,Blazquez, B.,Hesek, D.,Bartual, S.G.,Mahasenan, K.V.,Lastochkin, E.,Pi, H.,Boggess, B.,Meindl, K.,Uson, I.,Fisher, J.F.,Mobashery, S.,Hermoso, J.A. Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli. Acs Chem.Biol. 2014 9 2058 0 4UPU 25101901 Crystal structure of IP3 3-K calmodulin binding region in complex with Calmodulin 2014-06-18 2014-08-20 Franco-Echevarria, E.,Banos-Sanz, J.I.,Monterroso, B.,Round, A.,Sanz-Aparicio, J.,Gonzalez, B. A New Calmodulin Binding Motif for Inositol 1,4,5-Trisphosphate 3-Kinase Regulation. Biochem.J. 2014 463 319 0 4PCU 25197074 Crystal structure of delta516-525 E201S human cystathionine beta-synthase with AdoMet 2014-04-16 2014-09-24 Ereno-Orbea, J.,Majtan, T.,Oyenarte, I.,Kraus, J.P.,Martinez-Cruz, L.A. Structural insight into the molecular mechanism of allosteric activation of human cystathionine beta-synthase by S-adenosylmethionine. Proc.Natl.Acad.Sci.USA 2014 111 0 0 4CNO 24957267 Structure of the Salmonella typhi Type I dehydroquinase inhibited by a 3-dehydroquinic acid derivative 2014-01-23 2014-10-08 Maneiro, M.,Peon, A.,Lence, E.,Otero, J.M.,Van Raaij, M.J.,Thompson, P.,Hawkins, A.R.,Gonzalez-Bello, C. Insights into substrate binding and catalysis in bacterial type I dehydroquinase. Biochem. J. 2014 462 415 424 4CLM 25370445 Structure of Salmonella typhi type I dehydroquinase irreversibly inhibited with a 1,3,4-trihydroxyciclohexane-1-carboxylic acid derivative 2014-01-15 2014-11-05 Tizon, L.,Maneiro, M.,Peon, A.,Otero, J.M.,Lence, E.,Poza, S.,van Raaij, M.J.,Thompson, P.,Hawkins, A.R.,Gonzalez-Bello, C. Irreversible covalent modification of type I dehydroquinase with a stable Schiff base. Org. Biomol. Chem. 2015 13 706 716 4OMN 25490095 Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant Q128E 2014-01-27 2014-12-10 Bacarizo, J.,Martinez-Rodriguez, S.,Martin-Garcia, J.M.,Andujar-Sanchez, M.,Ortiz-Salmeron, E.,Neira, J.L.,Camara-Artigas, A. Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation. Plos One 2014 9 0 0 4OMO 25490095 Crystal structure of the c-Src tyrosine kinase SH3 domain mutant Q128E 2014-01-27 2014-12-10 Bacarizo, J.,Martinez-Rodriguez, S.,Martin-Garcia, J.M.,Andujar-Sanchez, M.,Ortiz-Salmeron, E.,Neira, J.L.,Camara-Artigas, A. Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation. Plos One 2014 9 0 0 4OMP 25490095 Crystal structure of the intertwined dimer of the c-Src tyrosine kinase SH3 domain mutant Q128K 2014-01-27 2014-12-10 Bacarizo, J.,Martinez-Rodriguez, S.,Martin-Garcia, J.M.,Andujar-Sanchez, M.,Ortiz-Salmeron, E.,Neira, J.L.,Camara-Artigas, A. Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation. Plos One 2014 9 0 0 4R61 25489108 Crystal structure of a rationally designed single-chain protein mimicking a trimeric gp41 N-terminal heptad-repeat region 2014-08-22 2014-12-10 Crespillo, S.,Camara-Artigas, A.,Casares, S.,Morel, B.,Cobos, E.S.,Mateo, P.L.,Mouz, N.,Martin, C.E.,Roger, M.G.,El Habib, R.,Su, B.,Moog, C.,Conejero-Lara, F. Single-chain protein mimetics of the N-terminal heptad-repeat region of gp41 with potential as anti-HIV-1 drugs. Proc.Natl.Acad.Sci.USA 2014 111 18207 18212 4X1E 25685666 Crystal structure of unliganded E. coli transcriptional regulator RutR, W167A mutant 2014-11-24 2015-01-21 Nguyen Le Minh, P.,de Cima, S.,Bervoets, I.,Maes, D.,Rubio, V.,Charlier, D. Ligand binding specificity of RutR, a member of the TetR family of transcription regulators in Escherichia coli. Febs Open Bio 2015 5 76 84 4CNN High resolution structure of Salmonella typhi type I dehydroquinase 2014-01-23 2015-02-18 Maneiro, M.,Peon, A.,Lence, E.,Otero, J.M.,Llamas-Saiz, A.,van Raaij, M.J.,Lamb, H.,Hawkins, A.R.,Gonzalez-Bello, C. Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase To be Published 0 0 0 0 4CNP Structure of the Salmonella typhi type I dehydroquinase inhibited by a 3-epiquinic acid derivative 2014-01-23 2015-02-18 Maneiro, M.,Peon, A.,Lence, E.,Otero, J.M.,Llamas-Saiz, A.L.,van Raaij, M.J.,Lamb, H.,Hawkins, A.R.,Gonzalez-Bello, C. Mechanistic Insight Into the Reaction Catalyzed by Type I Dehydroquinase To be Published 0 0 0 0 4WQ7 25673691 Thiosulfate dehydrogenase (TsdA) from Allochromatium vinosum - ""as isolated"" form 2014-10-21 2015-02-18 Brito, J.A.,Denkmann, K.,Pereira, I.A.,Archer, M.,Dahl, C. Thiosulfate Dehydrogenase (TsdA) from Allochromatium vinosum: STRUCTURAL AND FUNCTIONAL INSIGHTS INTO THIOSULFATE OXIDATION. J.Biol.Chem. 2015 290 9222 9238 4OWZ Structure of ECP/H15A mutant. 2014-02-04 2015-03-04 Blanco, J.A.,Salazar, V.A.,Boix, E.,Moussaoui, M. Structure of a ECP/H15A mutant at 1.47 Angstroms resolution To be published 0 0 0 0 4OXB Structure of ECP with sulphate anions at 1.50 Angstroms 2014-02-05 2015-03-04 Blanco, J.A.,Boix, E.,Moussaoui, M. Structure of ECP at 1.50 with sulphate anions at 1.50 Angstroms To be published 0 0 0 0 4OXF Structure of ECP in complex with citrate ions at 1.50 Angstroms 2014-02-05 2015-03-04 Blanco, J.A.,Boix, E.,Moussaoui, M.,Salazar, V.A. Structure of ECP in complex with citrate ions at 1.50 Angstroms To be published 0 0 0 0 4W7K 25495127 CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. Y147S MUTANT 2014-08-22 2015-03-11 Linde, D.,Pogni, R.,Canellas, M.,Lucas, F.,Guallar, V.,Baratto, M.C.,Sinicropi, A.,Saez-Jimenez, V.,Coscolin, C.,Romero, A.,Medrano, F.J.,Ruiz-Duenas, F.J.,Martinez, A.T. Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study. Biochem.J. 2015 466 253 262 4W7L 25495127 CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. D168N MUTANT 2014-08-22 2015-03-11 Linde, D.,Pogni, R.,Canellas, M.,Lucas, F.,Guallar, V.,Baratto, M.C.,Sinicropi, A.,Saez-Jimenez, V.,Coscolin, C.,Romero, A.,Medrano, F.J.,Ruiz-Duenas, F.J.,Martinez, A.T. Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study. Biochem.J. 2015 466 253 262 4W7M 25495127 CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. W377S MUTANT 2014-08-22 2015-03-11 Linde, D.,Pogni, R.,Canellas, M.,Lucas, F.,Guallar, V.,Baratto, M.C.,Sinicropi, A.,Saez-Jimenez, V.,Coscolin, C.,Romero, A.,Medrano, F.J.,Ruiz-Duenas, F.J.,Martinez, A.T. Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study. Biochem.J. 2015 466 253 262 4W7N 25495127 CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. Y147S AND W377S DOUBLE MUTANT 2014-08-22 2015-03-11 Linde, D.,Pogni, R.,Canellas, M.,Lucas, F.,Guallar, V.,Baratto, M.C.,Sinicropi, A.,Saez-Jimenez, V.,Coscolin, C.,Romero, A.,Medrano, F.J.,Ruiz-Duenas, F.J.,Martinez, A.T. Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study. Biochem.J. 2015 466 253 262 4W7O 25495127 CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. G169L, Y147S AND W377S TRIPLE MUTANT 2014-08-22 2015-03-11 Linde, D.,Pogni, R.,Canellas, M.,Lucas, F.,Guallar, V.,Baratto, M.C.,Sinicropi, A.,Saez-Jimenez, V.,Coscolin, C.,Romero, A.,Medrano, F.J.,Ruiz-Duenas, F.J.,Martinez, A.T. Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study. Biochem.J. 2015 466 253 262 5AJN 25939779 Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-Cys13 2015-02-26 2015-03-11 Lira-Navarrete, E.,De Las Rivas, M.,Companon, I.,Pallares, M.C.,Kong, Y.,Iglesias-Fernandez, J.,Bernardes, G.J.L.,Peregrina, J.M.,Rovira, C.,Bernado, P.,Bruscolini, P.,Clausen, H.,Lostao, A.,Corzana, F.,Hurtado-Guerrero, R. Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun. 2015 6 6937 0 4CKW Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 1) 2014-01-10 2015-03-25 Maneiro, M.,Otero, J.M.,Peon, A.,Sedes, A.,Llamas-Saiz, A.L.,Lamb, H.,Hawkins, A.R.,van Raaij, M.J.,Gonzalez-Bello, C. Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase To be Published 0 0 0 0 4CKX Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 2) 2014-01-10 2015-03-25 Maneiro, M.,Otero, J.M.,Peon, A.,Sedes, A.,Llamas-Saiz, A.L.,Lamb, H.,Hawkins, A.R.,van Raaij, M.J.,Gonzalez-Bello, C. Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase To be Published 0 0 0 0 4CKY Structure of the Mycobacterium tuberculosis Type II Dehydroquinase inhibited by a 3-dehydroquinic acid derivative 2014-01-10 2015-03-25 Maneiro, M.,Otero, J.M.,Peon, A.,Sedes, A.,Llamas-Saiz, A.L.,Lamb, H.,Hawkins, A.R.,van Raaij, M.J.,Gonzalez-Bello, C. Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase To be Published 0 0 0 0 4CKZ Structure of the Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant 2014-01-10 2015-03-25 Maneiro, M.,Otero, J.M.,Peon, A.,Sedes, A.,Llamas-Saiz, A.L.,Lamb, H.,Hawkins, A.R.,van Raaij, M.J.,Gonzalez-Bello, C. Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase To be Published 0 0 0 0 4Y2C 25799064 M300V 3D polymerase mutant of EMCV 2015-02-09 2015-04-01 van der Linden, L.,Vives-Adrian, L.,Selisko, B.,Ferrer-Orta, C.,Liu, X.,Lanke, K.,Ulferts, R.,De Palma, A.M.,Tanchis, F.,Goris, N.,Lefebvre, D.,De Clercq, K.,Leyssen, P.,Lacroix, C.,Purstinger, G.,Coutard, B.,Canard, B.,Boehr, D.D.,Arnold, J.J.,Cameron, C.E.,Verdaguer, N.,Neyts, J.,van Kuppeveld, F.J. The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family. Plos Pathog. 2015 11 0 0 4CW8 26418008 Structure of the carboxy-terminal domain of the turkey type 3 siadenovirus fibre, virulent form 2014-04-01 2015-04-08 Singh, A.K.,Berbis, M.A.,Ballmann, M.Z.,Kilcoyne, M.,Menendez, M.,Nguyen, T.H.,Joshi, L.,Canada, F.J.,Jimenez-Barbero, J.,Benko, M.,Harrach, B.,van Raaij, M.J. Structure and Sialyllactose Binding of the Carboxy-Terminal Head Domain of the Fibre from a Siadenovirus, Turkey Adenovirus 3. PLoS ONE 2015 10 0 0 4R9P An Expansion to the Smad MH2-family: The structure of the N-MH2 expanded domain 2014-09-06 2015-04-08 Beich-Frandsen, M.,Aragon, E.,Llimargas, M.,Benach, J.,Riera, A.,Pous, J.,Macias, M.J. Structure of the N-terminal domain of the protein Expansion: an 'Expansion' to the Smad MH2 Acta Crystallogr.,Sect.D 2015 71 844 853 4UWW 25849392 Crystallographic Structure of the Intramineral Protein Struthicalcin from Struthio camelus Eggshell 2014-08-14 2015-04-08 Ruiz-Arellano, R.R.,Medrano, F.J.,Moreno, A.,Romero, A. Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms. Acta Crystallogr.,Sect.D 2015 71 809 0 4UXM 25849392 Crystal Structure of Struthiocalcin-1, a different crystal form. 2014-08-26 2015-04-08 Ruiz-Arellano, R.R.,Medrano, F.J.,Moreno, A.,Romero, A. Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms. Acta Crystallogr.,Sect.D 2015 71 809 0 4D79 25897750 Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with ATP at 1.768 Angstroem resolution 2014-11-21 2015-05-06 Lopez-Estepa, M.,Arda, A.,Savko, M.,Round, A.,Shepard, W.E.,Bruix, M.,Coll, M.,Fernandez, F.J.,Jimenez-Barbero, J.,Vega, M.C. The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily. Plos One 2015 10 18606 0 4X2B 25903341 K20A RNA dependent RNA polymerase mutant from Foot-and-Mouth disease Virus complexed with an RNA 2014-11-26 2015-05-06 Ferrer-Orta, C.,de la Higuera, I.,Caridi, F.,Sanchez-Aparicio, M.T.,Moreno, E.,Perales, C.,Singh, K.,Sarafianos, S.G.,Sobrino, F.,Domingo, E.,Verdaguer, N. Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition. J.Virol. 2015 89 6848 6859 4US6 25655841 New Crystal Form of Glucose Isomerase Grown in Short Peptide Supramolecular Hydrogels 2014-07-03 2015-05-13 Conejero-Muriel, M.,Gavira, J.A.,Pineda-Molina, E.,Belsom, A.,Bradley, M.,Moral, M.,Garcia-Lopez Duran, J.D.D.,Luque Gonzalez, A.,Diaz-Mochon, J.J.,Contreras-Montoya, R.,Martinez-Peragon, A.,Cuerva, J.M.,Alvarez De Cienfuegos, L. Influence of the Chirality of Short Peptide Supramolecular Hydrogels in Protein Crystallogenesis. Chem.Commun.(Camb.) 2015 51 3862 0 4UDG 26057673 Crystal structure of b-1,4-mannopyranosyl-chitobiose phosphorylase at 1.60 Angstrom in complex with N-acetylglucosamine and inorganic phosphate 2014-12-10 2015-05-27 Ladeveze, S.,Cioci, G.,Roblin, P.,Mourey, L.,Tranier, S.,Potocki-Veronese, G. Structural Bases for N-Glycan Processing by Mannoside Phosphorylase. Acta Crystallogr.,Sect.D 2015 71 1335 0 4UDJ 26057673 Crystal structure of b-1,4-mannopyranosyl-chitobiose phosphorylase at 1.60 Angstrom in complex with beta-D-mannopyranose and inorganic phosphate 2014-12-10 2015-05-27 Ladeveze, S.,Cioci, G.,Roblin, P.,Mourey, L.,Tranier, S.,Potocki-Veronese, G. Structural Bases for N-Glycan Processing by Mannoside Phosphorylase. Acta Crystallogr.,Sect.D 2015 71 1335 0 4UDK 26057673 Crystal structure of b-1,4-mannopyranosyl-chitobiose phosphorylase at 1.76 Angstrom from unknown human gut bacteria (Uhgb_MP) in complex with N-acetyl-D-glucosamine, beta-D-mannopyranose and inorganic phosphate 2014-12-10 2015-05-27 Ladeveze, S.,Cioci, G.,Roblin, P.,Mourey, L.,Tranier, S.,Potocki-Veronese, G. Structural Bases for N-Glycan Processing by Mannoside Phosphorylase. Acta Crystallogr.,Sect.D 2015 71 1335 0 4UE0 25994880 Structure of the bovine atadenovirus type 4 fibre head protein 2014-12-14 2015-06-03 Nguyen, T.H.,Vidovszky, M.Z.,Ballmann, M.Z.,Sanz-Gaitero, M.,Singh, A.K.,Harrach, B.,Benko, M.,van Raaij, M.J. Crystal structure of the fibre head domain of bovine adenovirus 4, a ruminant atadenovirus. Virol. J. 2015 12 81 81 4XOS 26057796 ANP32A LRR domain 2015-01-16 2015-06-03 Zamora-Caballero, S.,Siauciunaite-Gaubard, L.,Bravo, J. High-resolution crystal structure of the leucine-rich repeat domain of the human tumour suppressor PP32A (ANP32A). Acta Crystallogr.,Sect.F 2015 71 684 687 4XUQ 26001782 Structure of the CBM22-2 xylan-binding domain from Paenibacillus barcinonensis Xyn10C in complex with xylotriose 2015-01-26 2015-06-03 Sainz-Polo, M.A.,Gonzalez, B.,Menendez, M.,Pastor, F.I.,Sanz-Aparicio, J. Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM. J.Biol.Chem. 2015 290 17116 17130 4XUT 26001782 Structure of the CBM22-2 xylan-binding domain in complex with 1,3:1,4 Beta-glucotetraose B from Paenibacillus barcinonensis Xyn10C 2015-01-26 2015-06-03 Sainz-Polo, M.A.,Gonzalez, B.,Menendez, M.,Pastor, F.I.,Sanz-Aparicio, J. Exploring Multimodularity in Plant Cell Wall Deconstruction: STRUCTURAL AND FUNCTIONAL ANALYSIS OF Xyn10C CONTAINING THE CBM22-1-CBM22-2 TANDEM. J.Biol.Chem. 2015 290 17116 17130 4ZIQ 26100869 Crystal structure of trypsin activated alpha-2-macroglobulin from Escherichia coli. 2015-04-28 2015-06-10 Garcia-Ferrer, I.,Arede, P.,Gomez-Blanco, J.,Luque, D.,Duquerroy, S.,Caston, J.R.,Goulas, T.,Gomis-Ruth, F.X. Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition. Proc.Natl.Acad.Sci.USA 2015 112 8290 8295 4ZIU 26100869 Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning the residues from domain MG7 to the C-terminus. 2015-04-28 2015-06-10 Garcia-Ferrer, I.,Arede, P.,Gomez-Blanco, J.,Luque, D.,Duquerroy, S.,Caston, J.R.,Goulas, T.,Gomis-Ruth, F.X. Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition. Proc.Natl.Acad.Sci.USA 2015 112 8290 8295 4ZJG 26100869 Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning domains MG0-NIE-MG1. 2015-04-29 2015-06-10 Garcia-Ferrer, I.,Arede, P.,Gomez-Blanco, J.,Luque, D.,Duquerroy, S.,Caston, J.R.,Goulas, T.,Gomis-Ruth, F.X. Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition. Proc.Natl.Acad.Sci.USA 2015 112 8290 8295 4ZJH 26100869 Crystal structure of native alpha-2-macroglobulin from Escherichia coli spanning domains NIE-MG1. 2015-04-29 2015-06-10 Garcia-Ferrer, I.,Arede, P.,Gomez-Blanco, J.,Luque, D.,Duquerroy, S.,Caston, J.R.,Goulas, T.,Gomis-Ruth, F.X. Structural and functional insights into Escherichia coli alpha 2-macroglobulin endopeptidase snap-trap inhibition. Proc.Natl.Acad.Sci.USA 2015 112 8290 8295 5AKM 26045557 THE CRYSTAL STRUCTURE OF I-DMOI G20S IN COMPLEX WITH ITS TARGET DNA IN THE PRESENCE OF 2MM MG 2015-03-04 2015-06-17 Molina, R.,Marcaida, M.J.,Redondo, P.,Marenchino, M.,Duchateau, P.,D'Abramo, M.,Montoya, G.,Prieto, J. Engineering a Nickase on the Homing Endonuclease I-Dmoi Scaffold. J.Biol.Chem. 2015 290 18534 0 4QR9 26143914 Crystal structure of two HMGB1 Box A domains cooperating to underwind and kink a DNA 2014-06-30 2015-07-01 Sanchez-Giraldo, R.,Acosta-Reyes, F.J.,Malarkey, C.S.,Saperas, N.,Churchill, M.E.,Campos, J.L. Two high-mobility group box domains act together to underwind and kink DNA. Acta Crystallogr.,Sect.D 2015 71 1423 1432 4QR9 26143914 Crystal structure of two HMGB1 Box A domains cooperating to underwind and kink a DNA 2014-06-30 2015-07-01 Sanchez-Giraldo, R.,Acosta-Reyes, F.J.,Malarkey, C.S.,Saperas, N.,Churchill, M.E.,Campos, J.L. Two high-mobility group box domains act together to underwind and kink DNA. Acta Crystallogr.,Sect.D 2015 71 1423 1432 4YTG 26132828 Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) mutant C351A in complex with dipeptide Met-Arg. 2015-03-17 2015-07-01 Goulas, T.,Mizgalska, D.,Garcia-Ferrer, I.,Kantyka, T.,Guevara, T.,Szmigielski, B.,Sroka, A.,Millan, C.,Uson, I.,Veillard, F.,Potempa, B.,Mydel, P.,Sola, M.,Potempa, J.,Gomis-Ruth, F.X. Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase. Sci Rep 2015 5 11969 11969 4UEO 26143925 Open state of galactitol-1-phosphate 5-dehydrogenase from E. coli, with zinc in the catalytic site. 2014-12-18 2015-07-15 Benavente, R.,Esteban-Torres, M.,Kohring, G.W.,Cortes-Cabrera, A.,Sanchez-Murcia, P.A.,Gago, F.,Acebron, I.,De Las Rivas, B.,Munoz, R.,Mancheno, J.M. Enantioselective Oxidation of Galactitol 1-Phosphate by Galactitol-1-Phosphate 5-Dehydrogenase from Escherichia Coli Acta Crystallogr.,Sect.D 2015 71 1540 0 4YT9 26132828 Crystal structure of Porphyromonas gingivalis peptidylarginine deiminase (PPAD) substrate-unbound. 2015-03-17 2015-07-15 Goulas, T.,Mizgalska, D.,Garcia-Ferrer, I.,Kantyka, T.,Guevara, T.,Szmigielski, B.,Sroka, A.,Millan, C.,Uson, I.,Veillard, F.,Potempa, B.,Mydel, P.,Sola, M.,Potempa, J.,Gomis-Ruth, F.X. Structure and mechanism of a bacterial host-protein citrullinating virulence factor, Porphyromonas gingivalis peptidylarginine deiminase. Sci Rep 2015 5 11969 11969 4XTD 26150243 Structure of the covalent intermediate E-XMP* of the IMP dehydrogenase of Ashbya gossypii 2015-01-23 2015-07-22 Buey, R.M.,Ledesma-Amaro, R.,Balsera, M.,de Pereda, J.M.,Revuelta, J.L. Increased riboflavin production by manipulation of inosine 5'-monophosphate dehydrogenase in Ashbya gossypii. Appl.Microbiol.Biotechnol. 2015 99 9577 9589 4XTI 26150243 Structure of IMP dehydrogenase of Ashbya gossypii with IMP bound to the active site 2015-01-23 2015-07-22 Buey, R.M.,Ledesma-Amaro, R.,Balsera, M.,de Pereda, J.M.,Revuelta, J.L. Increased riboflavin production by manipulation of inosine 5'-monophosphate dehydrogenase in Ashbya gossypii. Appl.Microbiol.Biotechnol. 2015 99 9577 9589 4XWU 26150243 Structure of the IMP dehydrogenase from Ashbya gossypii 2015-01-29 2015-07-22 Buey, R.M.,Ledesma-Amaro, R.,Balsera, M.,de Pereda, J.M.,Revuelta, J.L. Increased riboflavin production by manipulation of inosine 5'-monophosphate dehydrogenase in Ashbya gossypii. Appl.Microbiol.Biotechnol. 2015 99 9577 9589 4Z8B 26226421 crystal structure of a DGL mutant - H51G H131N 2015-04-08 2015-07-22 Zamora-Caballero, S.,Perez, A.,Sanz, L.,Bravo, J.,Calvete, J.J. Quaternary structure of Dioclea grandiflora lectin assessed by equilibrium sedimentation and crystallographic analysis of recombinant mutants. Febs Lett. 2015 589 2290 2296 4UW8 26670244 Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber with its intra-molecular chaperone domain 2014-08-08 2015-08-05 Garcia-Doval, C.,Caston, J.R.,Luque, D.,Granell, M.,Otero, J.M.,Llamas-Saiz, A.L.,Renouard, M.,Boulanger, P.,van Raaij, M.J. Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone. Viruses 2015 7 6424 6440 4REX 26256245 Crystal structure of the first WW domain of human YAP2 isoform 2014-09-24 2015-08-19 Martinez-Rodriguez, S.,Bacarizo, J.,Luque, I.,Camara-Artigas, A. Crystal structure of the first WW domain of human YAP2 isoform. J.Struct.Biol. 2015 191 381 387 5AB0 26381406 Crystal structure of aminopeptidase ERAP2 with ligand 2015-07-31 2015-09-30 Mpakali, A.,Giastas, P.,Mathioudakis, N.,Mavridis, I.M.,Saridakis, E.,Stratikos, E. Structural Basis for Antigenic Peptide Recognition and Processing by Endoplasmic Reticulum (Er) Aminopeptidase 2. J.Biol.Chem. 2015 290 26021 0 4X08 Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms. 2014-11-21 2015-10-07 Blanco, J.A.,Garcia, J.M.,Salazar, V.A.,Sanchez, D.,Moussauoi, M.,Boix, E. Structure of H128N/ECP mutant in complex with sulphate anions at 1.34 Angstroms. To Be Published 0 0 0 0 5CX8 26441291 Structure of RagB, a major immunodominant virulence factor of Porphyromonas gingivalis. 2015-07-28 2015-10-21 Goulas, T.,Garcia-Ferrer, I.,Hutcherson, J.A.,Potempa, B.A.,Potempa, J.,Scott, D.A.,Xavier Gomis-Ruth, F. Structure of RagB, a major immunodominant outer-membrane surface receptor antigen of Porphyromonas gingivalis. Mol Oral Microbiol 2016 31 472 485 4RTV Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12 2014-11-16 2015-10-28 Camara-Artigas, A. Crystal structure of the Src tyrosine kinase SH3 domain S94A/Q128R mutant in complex with the high affinity synthetic peptide APP12 To be Published 0 0 0 0 4RTX Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant 2014-11-16 2015-10-28 Camara-Artigas, A. Crystal structure of the Src tyrosine kinase SH3 domain T96G/Q128R mutant To be Published 0 0 0 0 4RTZ Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12 2014-11-16 2015-10-28 Camara-Artigas, A. Crystal structure of the c-Src-SH3 domain in complex with the high affinity peptide VSL12 To be Published 0 0 0 0 4YU5 26745529 Crystal structure of selenomethionine variant of Bacillus anthracis immune inhibitor A2 peptidase zymogen 2015-03-18 2015-10-28 Arolas, J.L.,Goulas, T.,Pomerantsev, A.P.,Leppla, S.H.,Gomis-Ruth, F.X. Structural Basis for Latency and Function of Immune Inhibitor A Metallopeptidase, a Modulator of the Bacillus anthracis Secretome. Structure 2016 24 25 36 5CXC 26476442 Structure of Ytm1 bound to the C-terminal domain of Erb1 in P 65 2 2 space group 2015-07-28 2015-10-28 Wegrecki, M.,Rodriguez-Galan, O.,de la Cruz, J.,Bravo, J. The structure of Erb1-Ytm1 complex reveals the functional importance of a high-affinity binding between two beta-propellers during the assembly of large ribosomal subunits in eukaryotes. Nucleic Acids Res. 2015 43 11017 11030 5ABN 26496708 CRYSTAL STRUCTURE ANALYSIS OF FUNGAL VERSATILE PEROXIDASE FROM PLEUROTUS ERYNGII. MUTANT VPi. MUTATED RESIDUES D69S, T70D, S86E, D146T, Q202L, H232E, Q239R AND S301K. 2015-08-07 2015-11-04 Saez-Jimenez, V.,Fernendez-Fueyo, E.,Medrano, F.J.,Romero, A.,Martinez, A.T.,Ruiz-Duenas, F.J. Improving the Ph-Stability of Versatile Peroxidase by Comparative Structural Analysis with a Naturally-Stable Manganese Peroxidase. Plos One 2015 10 40984 0 5ABQ 26496708 CRYSTAL STRUCTURE ANALYSIS OF FUNGAL VERSATILE PEROXIDASE FROM PLEUROTUS ERYNGII. MUTANT VPi-SS. MUTATED RESIDUES T2K, A49C, A61C, D69S, T70D, S86E, A131K, D146T, Q202L, Q219K, H232E, Q239R, L288R, S301K, A308R,A309K AND A314R. 2015-08-07 2015-11-04 Saez-Jimenez, V.,Fernendez-Fueyo, E.,Medrano, F.J.,Romero, A.,Martinez, A.T.,Ruiz-Duenas, F.J. Improving the Ph-Stability of Versatile Peroxidase by Comparative Structural Analysis with a Naturally-Stable Manganese Peroxidase. Plos One 2015 10 40984 0 4RH2 Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid 2014-10-01 2015-11-11 Ferraroni, M.,Supuran, C.T.,Carta, F.,Bozdag, M.,Scozzafava, A. New classes of carbonic anhydrase inhibitors to be published 0 0 0 0 5DOU 26592762 Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), ligand-bound form 2015-09-11 2015-12-09 de Cima, S.,Polo, L.M.,Diez-Fernandez, C.,Martinez, A.I.,Cervera, J.,Fita, I.,Rubio, V. Structure of human carbamoyl phosphate synthetase: deciphering the on/off switch of human ureagenesis. Sci Rep 2015 5 16950 16950 4D5U 26620074 Structure of OmpF in I2 2014-11-07 2015-12-16 Chaptal, V.,Kilburg, A.,Flot, D.,Wiseman, B.,Aghajari, N.,Jault, J.,Falson, P. Two Different Centered Monoclinic Crystals of the E. Coli Outer-Membrane Protein Ompf Originate from the Same Building Block. Biochim.Biophys.Acta 2016 1858 326 0 5AQ5 26670244 Structure of the Carboxy-Terminal Domain of the Bacteriophage T5 L- Shaped Tail Fibre 2015-09-19 2015-12-16 Garcia-Doval, C.,Caston, J.R.,Luque, D.,Granell, M.,Otero, J.M.,Llamas-Saiz, A.L.,Renouard, M.,Boulanger, P.,van Raaij, M.J. Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone. Viruses 2015 7 6424 6440 5CEX 26682982 Crystal Structure of Fab 32H+109L, a putative precursor of the PGT121 family of potent HIV-1 antibodies 2015-07-07 2015-12-23 Garces, F.,Lee, J.H.,de Val, N.,Torrents de la Pena, A.,Kong, L.,Puchades, C.,Hua, Y.,Stanfield, R.L.,Burton, D.R.,Moore, J.P.,Sanders, R.W.,Ward, A.B.,Wilson, I.A. Affinity Maturation of a Potent Family of HIV Antibodies Is Primarily Focused on Accommodating or Avoiding Glycans. Immunity 2015 43 1053 1063 4V0S Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative 2014-09-18 2016-01-13 Maneiro, M.,Otero, J.M.,Peon, A.,van Raaij, M.J.,Lamb, H.,Hawkings, A.R.,Gonzalez-Bello, C. Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase To be Published 0 0 0 0 4D7B 26902880 Structure of human transthyretin in complex with Tolcapone 2014-11-21 2016-01-20 Reverter, D.,Gallego, P.,Santana, R.,Ventura, S. Repositioning Tolcapone as a Potent Inhibitor of Transthyretin Amyloidogenesis and its Associated Cellular Toxicity Nat.Commun. 2016 7 10787 0 4UEE Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Ala-Y(PO2CH2)-homoPhe-OH 2014-12-17 2016-01-20 Gallego, P.,Covaleda, G.,Devel, L.,Dive, V.,Aviles, F.X.,Reverter, D. Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors To be Published 0 0 0 0 4UEZ Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Phe-Y(PO2CH2)-Phe-OH 2014-12-22 2016-01-20 Gallego, P.,Covaleda, G.,Devel, L.,Dive, V.,Aviles, F.X.,Reverter, D. Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors To be Published 0 0 0 0 5AEK Crystal structure of the human SENP2 C548S in complex with the human SUMO1 K48M F66W 2014-12-23 2016-01-20 Grana-Montes, R.,Gallego, P.,Espargaro, A.,Castillo, V.,Torrent, J.,Lange, R.,Reverter, D.,Papaleo, E.,Lindorff-Larsend, K.,Ventura, S. Stepping Back and Forward on Sumo Folding Evolution To be Published 0 0 0 0 5DYP 26718083 Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 2015-09-25 2016-01-20 Di Nardo, G.,Dell'Angelo, V.,Catucci, G.,Sadeghi, S.J.,Gilardi, G. Subtle structural changes in the Asp251Gly/Gln307His P450 BM3 mutant responsible for new activity toward diclofenac, tolbutamide and ibuprofen. Arch.Biochem.Biophys. 2016 602 106 115 4UHV 26894532 The structure of VgrG1, the needle tip of the bacterial Type VI Secretion System 2015-03-25 2016-01-27 Spinola-Amilibia, M.,Davo-Siguero, I.,Ruiz, F.M.,Santillana, E.,Medrano, F.J.,Romero, A. The Structure of Vgrg1 from Pseudomonas Aeruginosa, the Needle Tip of the Bacterial Type Vi Secretion System Acta Crystallogr.,Sect.D 2016 72 34 0 5FIX 26823463 Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with sucrose 2015-10-02 2016-02-10 Ramirez-Escudero, M.,Gimeno-Perez, M.,Gonzalez, B.,Linde, D.,Merdzo, Z.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity J.Biol.Chem. 2016 291 6843 0 5FK7 26823463 Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with neokestose 2015-10-15 2016-02-10 Ramirez-Escudero, M.,Gimeno-Perez, M.,Gonzalez, B.,Linde, D.,Merdzo, Z.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity J.Biol.Chem. 2016 291 6843 0 5FK8 26823463 Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with Neo-erlose 2015-10-15 2016-02-10 Ramirez-Escudero, M.,Gimeno-Perez, M.,Gonzalez, B.,Linde, D.,Merdzo, Z.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity J.Biol.Chem. 2016 291 6843 0 5FMD 26823463 Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with nystose 2015-11-02 2016-02-10 Ramirez-Escudero, M.,Gimeno-Perez, M.,Gonzalez, B.,Linde, D.,Merdzo, Z.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Structural Analysis of Beta-Fructofuranosidase from Xanthophyllomyces Dendrorhous Reveals Unique Features and the Crucial Role of N-Glycosylation in Oligomerization and Activity J.Biol.Chem. 2016 291 6843 0 5A6I 26902880 V122I Transthyretin structure in complex with Tolcalpone 2015-06-26 2016-02-24 Reverter, D.,Gallego, P.,Santana, R.,Ventura, S. 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Biochem.J. 2016 473 1523 1536 4UFQ 27311405 Structure of a novel Hyaluronidase (Hyal_Sk) from Streptomyces koganeiensis. 2015-03-18 2016-04-13 Messina, L.,Gavira, J.A.,Pernagallo, S.,Unciti-Broceta, J.D.,Sanchez Martin, R.M.,Diaz-Mochon, J.J.,Vaccaro, S.,Conejero-Muriel, M.,Pineda-Molina, E.,Caruso, S.,Musumeci, L.,Di Pasquale, R.,Pontillo, A.,Sincinelli, F.,Pavan, M.,Secchieri, C. Identification and Characterization of a Bacterial Hyaluronidase and its Production in Recombinant Form. FEBS Lett. 2016 590 2180 0 5FWZ 27083189 Fasciola hepatica calcium binding protein FhCaBP2: Structure of the dynein light chain-like domain. P41212 mercury derivative. 2016-02-22 2016-04-27 Nguyen, T.H.,Thomas, C.M.,Timson, D.J.,van Raaij, M.J. Fasciola hepatica calcium-binding protein FhCaBP2: structure of the dynein light chain-like domain. Parasitol. Res. 2016 115 2879 2886 5FX0 27083189 Fasciola hepatica calcium binding protein FhCaBP2: Structure of the dynein light chain-like domain. 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J.Virol. 2016 90 6864 6883 5G1N 27265852 Aspartate transcarbamoylase domain of human CAD bound to PALA 2016-03-29 2016-06-22 Ruiz-Ramos, A.,Velazquez-Campoy, A.,Grande-Garcia, A.,Moreno-Morcillo, M.,Ramon-Maiques, S. Structure and Functional Characterization of Human Aspartate Transcarbamoylase, the Target of the Anti-Tumoral Drug Pala. Structure 2016 24 1081 0 5L9J 28009546 Room temperature X-ray diffraction of tetragonal HEWL. First data set (0.31 MGy) 2016-06-10 2016-06-22 Crosas, E.,Castellvi, A.,Crespo, I.,Fulla, D.,Gil-Ortiz, F.,Fuertes, G.,Kamma-Lorger, C.S.,Malfois, M.,Aranda, M.A.,Juanhuix, J. Uridine as a new scavenger for synchrotron-based structural biology techniques. J Synchrotron Radiat 2017 24 53 62 5F9I Crystal Structure of rich-AT DNA 20mer 2015-12-09 2016-06-29 Garcia, S.,Acosta-Reyes, F.J.,Saperas, N.,Campos, J.L. 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J. 2016 13 106 106 5FXC 27305427 Crystal structure of glycopeptide 22 in complex with scFv-SM3 2016-02-29 2016-06-29 Rojas-Ocariz, V.,Companon, I.,Aydillo, C.,Castro-Lopez, J.,Jimenez-Barbero, J.,Hurtado-Guerrero, R.,Avenoza, A.,Zurbano, M.M.,Corzana, F.,Busto, J.H.,Peregrina, J.M. Design of Alpha-S-Glycopeptides Derived from Muc1 with a Flexible and Solvent Exposed Sugar Moiety J.Org.Chem. 2016 81 5929 0 5IKD Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase 2016-03-03 2016-07-13 Linde, D.,Canellas, M.,Davo-Siguero, I.,Romero, A.,Lucas, F.,Ruiz-Duenas, F.J.,Guallar, V.,Martinez, A.T. Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase Catalysis Science And Technolo 2016 0 0 0 5IT6 27268118 Galectin-related protein: an integral member of the network of chicken galectins 2016-03-16 2016-07-13 Garcia Caballero, G.,Flores-Ibarra, A.,Michalak, M.,Khasbiullina, N.,Bovin, N.V.,Andre, S.,Manning, J.C.,Vertesy, S.,Ruiz, F.M.,Kaltner, H.,Kopitz, J.,Romero, A.,Gabius, H.J. Galectin-related protein: An integral member of the network of chicken galectins 1. From strong sequence conservation of the gene confined to vertebrates to biochemical characteristics of the chicken protein and its crystal structure. Biochim.Biophys.Acta 2016 1860 2285 2297 5JDB 27209447 Binding specificity of P[8] VP8* proteins of rotavirus vaccine strains with histo-blood group antigens 2016-04-16 2016-07-13 Sun, X.,Guo, N.,Li, D.,Jin, M.,Zhou, Y.,Xie, G.,Pang, L.,Zhang, Q.,Cao, Y.,Duan, Z.J. Binding specificity of P[8] VP8* proteins of rotavirus vaccine strains with histo-blood group antigens. Virology 2016 495 129 135 5AO7 27035839 Crystal Structure of SltB3 from Pseudomonas aeruginosa in complex with NAG-anhNAM-pentapeptide 2015-09-09 2016-07-20 Lee, M.,Dominguez-Gil, T.,Hesek, D.,Mahasenan, K.V.,Lastochkin, E.,Hermoso, J.A.,Mobashery, S. Turnover of Bacterial Cell Wall by Sltb3, a Multidomain Lytic Transglycosylase of Pseudomonas Aeruginosa. Acs Chem.Biol. 2016 11 1525 0 5AO8 27035839 Crystal Structure of SltB3 from Pseudomonas aeruginosa in complex with NAG-NAM-pentapeptide 2015-09-09 2016-07-20 Lee, M.,Dominguez-Gil, T.,Hesek, D.,Mahasenan, K.V.,Lastochkin, E.,Hermoso, J.A.,Mobashery, S. Turnover of Bacterial Cell Wall by Sltb3, a Multidomain Lytic Transglycosylase of Pseudomonas Aeruginosa. Acs Chem.Biol. 2016 11 1525 0 5J1G 27413182 Structure of the spectrin repeats 7 and 8 of the plakin domain of plectin 2016-03-29 2016-07-20 Ortega, E.,Manso, J.A.,Buey, R.M.,Carballido, A.M.,Carabias, A.,Sonnenberg, A.,de Pereda, J.M. The Structure of the Plakin Domain of Plectin Reveals an Extended Rod-like Shape. J.Biol.Chem. 2016 291 18643 18662 5DKA 27411375 A C2HC zinc finger is essential for the activity of the RING ubiquitin ligase RNF125 2015-09-03 2016-07-27 Bijlmakers, M.J.,Teixeira, J.M.,Boer, R.,Mayzel, M.,Puig-Sarries, P.,Karlsson, G.,Coll, M.,Pons, M.,Crosas, B. A C2HC zinc finger is essential for the RING-E2 interaction of the ubiquitin ligase RNF125. Sci Rep 2016 6 29232 29232 5D77 Structure of Mip6 RRM3 Domain 2015-08-13 2016-08-17 Mohamad, N.,Bravo, J. Structure of Mip6 RRM3 domain at 1.3 To Be Published 0 0 0 0 5D78 Structure of RRM3 Domain of Mip6 at 1.25 A Resolution 2015-08-13 2016-08-17 Mohamad, N.,Bravo, J. Structure of RRM3 Domain of Mip6 at 1.25 A Resolution To Be Published 0 0 0 0 5FUT 27616047 Human choline kinase a1 in complex with compound 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin- 1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium (compound BR25) 2016-01-29 2016-09-21 Serran-Aguilera, L.,Denton, H.,Rubio-Ruiz, B.,Lopez-Gutierrez, B.,Entrena, A.,Izquierdo, L.,Smith, T.K.,Conejo-Garcia, A.,Hurtado-Guerrero, R. Plasmodium Falciparum Choline Kinase Inhibition Leads to a Major Decrease in Phosphatidylethanolamine Causing Parasite Death. Sci.Rep. 2016 6 33189 0 5SYJ 24568093 Crystal structure of the D141A variant of B. pseudomallei KatGin complex with isoniazid 2016-08-11 2016-09-21 Vidossich, P.,Loewen, P.C.,Carpena, X.,Fiorin, G.,Fita, I.,Rovira, C. Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation. J Phys Chem B 2014 118 2924 2931 5AQ0 The structure of the Transthyretin-like domain of the first catalytic domain of the HUMAN Carboxypeptidase D 2015-09-18 2016-09-28 Gallego, P.,Garcia-Pardo, J.,Berenguer, E.,Lorenzo, J.,Aviles, F.X.,Ventura, S.,Reverter, D. The Structure of the Ttldomain of the Human Carboxypeptidase D To be Published 0 0 0 0 5HTL 27578558 Structure of MshE with cdg 2016-01-27 2016-10-05 Wang, Y.C.,Chin, K.H.,Tu, Z.L.,He, J.,Jones, C.J.,Sanchez, D.Z.,Yildiz, F.H.,Galperin, M.Y.,Chou, S.H. Nucleotide binding by the widespread high-affinity cyclic di-GMP receptor MshEN domain. Nat Commun 2016 7 12481 12481 5IYT 27677239 Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide 2016-03-24 2016-10-05 Becker, D.,Kaczmarska, Z.,Arkona, C.,Schulz, R.,Tauber, C.,Wolber, G.,Hilgenfeld, R.,Coll, M.,Rademann, J. Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments. Nat Commun 2016 7 12761 12761 5K6O 27679487 Structure of a GH3 b-glucosidase from cow rumen metagenome in complex with galactose 2016-05-25 2016-10-05 Ramirez-Escudero, M.,Del Pozo, M.V.,Marin-Navarro, J.,Gonzalez, B.,Golyshin, P.N.,Polaina, J.,Ferrer, M.,Sanz-Aparicio, J. Structural and Functional Characterization of a Ruminal beta-Glycosidase Defines a Novel Subfamily of Glycoside Hydrolase Family 3 with Permuted Domain Topology. J.Biol.Chem. 2016 291 24200 24214 5AA1 27618662 Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAG-anhNAM-pentapeptide 2015-07-23 2016-10-12 Dominguez-Gil, T.,Lee, M.,Acebron-Avalos, I.,Mahasenan, K.V.,Hesek, D.,Dik, D.A.,Byun, B.,Lastochkin, E.,Fisher, J.F.,Mobashery, S.,Hermoso, J.A. Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa. Structure 2016 24 1729 1741 5AA2 27618662 Crystal structure of MltF from Pseudomonas aeruginosa in complex with NAM-pentapeptide. 2015-07-23 2016-10-12 Dominguez-Gil, T.,Lee, M.,Acebron-Avalos, I.,Mahasenan, K.V.,Hesek, D.,Dik, D.A.,Byun, B.,Lastochkin, E.,Fisher, J.F.,Mobashery, S.,Hermoso, J.A. Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa. Structure 2016 24 1729 1741 5AA3 27618662 Crystal structure of MltF from Pseudomonas aeruginosa in the presence of tetrasaccharide and tetrapeptide 2015-07-23 2016-10-12 Dominguez-Gil, T.,Lee, M.,Acebron-Avalos, I.,Mahasenan, K.V.,Hesek, D.,Dik, D.A.,Byun, B.,Lastochkin, E.,Fisher, J.F.,Mobashery, S.,Hermoso, J.A. Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa. Structure 2016 24 1729 1741 5AA4 27618662 Crystal structure of MltF from Pseudomonas aeruginosa in complex with cell-wall tetrapeptide 2015-07-23 2016-10-12 Dominguez-Gil, T.,Lee, M.,Acebron-Avalos, I.,Mahasenan, K.V.,Hesek, D.,Dik, D.A.,Byun, B.,Lastochkin, E.,Fisher, J.F.,Mobashery, S.,Hermoso, J.A. Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa. Structure 2016 24 1729 1741 5EC7 Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0 2015-10-20 2016-11-09 Camara-Artigas, A. Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0 to be published 0 0 0 0 5EHD Crystal structure of human nucleophosmin-core in complex with cytochrome c 2015-10-28 2016-11-09 Bernardo-Garcia, N.,Hermoso, J.A.,Gonzalez-Arzola, K.,Diaz-Moreno, I.,De la Rosa, M.A. Crystal structure of human nucleophosmin-core in complex with cytochrome c To Be Published 0 0 0 0 5M11 27883039 Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. 2016-10-07 2016-11-09 Lasica, A.M.,Goulas, T.,Mizgalska, D.,Zhou, X.,de Diego, I.,Ksiazek, M.,Madej, M.,Guo, Y.,Guevara, T.,Nowak, M.,Potempa, B.,Goel, A.,Sztukowska, M.,Prabhakar, A.T.,Bzowska, M.,Widziolek, M.,Thgersen, I.B.,Enghild, J.J.,Simonian, M.,Kulczyk, A.W.,Nguyen, K.A.,Potempa, J.,Gomis-Ruth, F.X. Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. Sci Rep 2016 6 37708 37708 5M11 27883039 Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. 2016-10-07 2016-11-09 Lasica, A.M.,Goulas, T.,Mizgalska, D.,Zhou, X.,de Diego, I.,Ksiazek, M.,Madej, M.,Guo, Y.,Guevara, T.,Nowak, M.,Potempa, B.,Goel, A.,Sztukowska, M.,Prabhakar, A.T.,Bzowska, M.,Widziolek, M.,Thgersen, I.B.,Enghild, J.J.,Simonian, M.,Kulczyk, A.W.,Nguyen, K.A.,Potempa, J.,Gomis-Ruth, F.X. Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. Sci Rep 2016 6 37708 37708 5M11 27883039 Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. 2016-10-07 2016-11-09 Lasica, A.M.,Goulas, T.,Mizgalska, D.,Zhou, X.,de Diego, I.,Ksiazek, M.,Madej, M.,Guo, Y.,Guevara, T.,Nowak, M.,Potempa, B.,Goel, A.,Sztukowska, M.,Prabhakar, A.T.,Bzowska, M.,Widziolek, M.,Thgersen, I.B.,Enghild, J.J.,Simonian, M.,Kulczyk, A.W.,Nguyen, K.A.,Potempa, J.,Gomis-Ruth, F.X. Structural and functional probing of PorZ, an essential bacterial surface component of the type-IX secretion system of human oral-microbiomic Porphyromonas gingivalis. Sci Rep 2016 6 37708 37708 5FQ2 Crystal structure of human SUMO E1 UFD domain in complex with Ubc9 in a P422 space group. 2015-12-04 2016-11-16 Liu, B.,Castano, L.,Lois, M.,Reverter, D. Crystal Structure of Human Sumo E1 Ufd Domain in Complex with Ubc9. To be Published 0 0 0 0 5FO2 28338000 Structure of human transthyretin mutant A108I 2015-11-17 2016-11-30 Sant'Anna, R.,Almeida, M.R.,Varejao, N.,Gallego, P.,Esperante, S.,Ferreira, P.,Pereira-Henriques, A.,Palhano, F.L.,de Carvalho, M.,Foguel, D.,Reverter, D.,Saraiva, M.J.,Ventura, S. Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation. Sci Rep 2017 7 44709 44709 5F0J 27889239 Structure of retromer VPS26-VPS35 subunits bound to SNX3 2015-11-27 2016-12-07 Lucas, M.,Gershlick, D.C.,Vidaurrazaga, A.,Rojas, A.L.,Bonifacino, J.S.,Hierro, A. Structural Mechanism for Cargo Recognition by the Retromer Complex. Cell 2016 167 1623 0 5F0J 27889239 Structure of retromer VPS26-VPS35 subunits bound to SNX3 2015-11-27 2016-12-07 Lucas, M.,Gershlick, D.C.,Vidaurrazaga, A.,Rojas, A.L.,Bonifacino, J.S.,Hierro, A. Structural Mechanism for Cargo Recognition by the Retromer Complex. Cell 2016 167 1623 0 5IEH Structure of HLA-B*40:02 in complex with the phosphorylated endogenous peptide REF(p)SKEPEL 2016-02-25 2016-12-07 Alpizar, A.,Marcilla, M.,Santiago, C. Structure of HLA-B*40:02 in complex with the phosphorilated endogenous peptide REFpSKEPEL To Be Published 0 0 0 0 5IEK Structure of HLA-B*40:02 in complex with the endogenous peptide REFSKEPEL 2016-02-25 2016-12-07 Alpizar, A.,Marcilla, M.,Santiago, C. Structure of HLA-B*40:02 in complex with the endogenous peptide REFSKEPEL To Be Published 0 0 0 0 5FQK 28719578 W229D and F290W mutant of the last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A bound to 5(6)-nitrobenzotriazole (TS-analog) 2015-12-11 2016-12-21 Risso, V.A.,Martinez-Rodriguez, S.,Candel, A.M.,Kruger, D.M.,Pantoja-Uceda, D.,Ortega-Munoz, M.,Santoyo-Gonzalez, F.,Gaucher, E.A.,Kamerlin, S.C.L.,Bruix, M.,Gavira, J.A.,Sanchez-Ruiz, J.M. De novo active sites for resurrected Precambrian enzymes. Nat Commun 2017 8 16113 16113 5LA5 28009546 Room temperature X-ray diffraction of tetragonal HEWL. Second data set (0.62 MGy) 2016-06-13 2016-12-21 Crosas, E.,Castellvi, A.,Crespo, I.,Fulla, D.,Gil-Ortiz, F.,Fuertes, G.,Kamma-Lorger, C.S.,Malfois, M.,Aranda, M.A.,Juanhuix, J. Uridine as a new scavenger for synchrotron-based structural biology techniques. J Synchrotron Radiat 2017 24 53 62 5LA8 28009546 Room temperature X-ray diffraction of tetragonal HEWL. Third data set (0.93 MGy) 2016-06-13 2016-12-21 Crosas, E.,Castellvi, A.,Crespo, I.,Fulla, D.,Gil-Ortiz, F.,Fuertes, G.,Kamma-Lorger, C.S.,Malfois, M.,Aranda, M.A.,Juanhuix, J. Uridine as a new scavenger for synchrotron-based structural biology techniques. J Synchrotron Radiat 2017 24 53 62 5LAF 28009546 Room temperature X-ray diffraction of tetragonal HEWL with 1M of uridine. First data set (0.31 MGy) 2016-06-14 2016-12-21 Crosas, E.,Castellvi, A.,Crespo, I.,Fulla, D.,Gil-Ortiz, F.,Fuertes, G.,Kamma-Lorger, C.S.,Malfois, M.,Aranda, M.A.,Juanhuix, J. Uridine as a new scavenger for synchrotron-based structural biology techniques. J Synchrotron Radiat 2017 24 53 62 5LAG 28009546 Room temperature X-ray diffraction of tetragonal HEWL with 1M of uridine. Second data set (0.62 MGy) 2016-06-14 2016-12-21 Crosas, E.,Castellvi, A.,Crespo, I.,Fulla, D.,Gil-Ortiz, F.,Fuertes, G.,Kamma-Lorger, C.S.,Malfois, M.,Aranda, M.A.,Juanhuix, J. Uridine as a new scavenger for synchrotron-based structural biology techniques. J Synchrotron Radiat 2017 24 53 62 5MMZ 27899452 Structure of PRL-1 in complex with the Bateman domain of CNNM2 2016-12-12 2016-12-21 Gimenez-Mascarell, P.,Oyenarte, I.,Hardy, S.,Breiderhoff, T.,Stuiver, M.,Kostantin, E.,Diercks, T.,Pey, A.L.,Ereno-Orbea, J.,Martinez-Chantar, M.L.,Khalaf-Nazzal, R.,Claverie-Martin, F.,Muller, D.,Tremblay, M.L.,Martinez-Cruz, L.A. Structural Basis of the Oncogenic Interaction of Phosphatase PRL-1 with the Magnesium Transporter CNNM2. J. Biol. Chem. 2017 292 786 801 5FW8 Structure of human transthyretin mutant E89K 2016-02-12 2016-12-28 Gallego, P.,Varejao, N.,Santanna, R.,Saraiva, M.J.,Ventura, S.,Reverter, D. Structure of New Non-Amyloidogenic Mutant of Ttr A108V To be Published 0 0 0 0 5FW9 Human Spectrin SH3 domain D48G, E7Y, K60Y 2016-02-12 2016-12-28 Navarro, S.,Gallego, P.,Diaz, M.,Ventura, S.,Reverter, D. Human Spectrin SH3 Domain D48G, E7Y, K60Y To be Published 0 0 0 0 5FWB Human Spectrin SH3 domain D48G, E7F, K60F 2016-02-12 2016-12-28 Navarro, S.,Gallego, P.,Diaz, M.,Ventura, S.,Reverter, D. Human Spectrin SH3 Domain D48G, E7F, K60F To be Published 0 0 0 0 5FWC Human Spectrin SH3 domain D48G, E7A, K60A 2016-02-12 2016-12-28 Navarro, S.,Gallego, P.,Diaz, M.,Ventura, S.,Reverter, D. Human Spectrin SH3 Domain D48G, E7A, K60A To be Published 0 0 0 0 5FQM 28719578 Last common ancestor of Gram Negative Bacteria (GNCA) Class A beta- lactamase 2015-12-12 2017-01-18 Risso, V.A.,Martinez-Rodriguez, S.,Candel, A.M.,Kruger, D.M.,Pantoja-Uceda, D.,Ortega-Munoz, M.,Santoyo-Gonzalez, F.,Gaucher, E.A.,Kamerlin, S.C.L.,Bruix, M.,Gavira, J.A.,Sanchez-Ruiz, J.M. De novo active sites for resurrected Precambrian enzymes. Nat Commun 2017 8 16113 16113 5AAN 28119500 Crystal structure of Drosophila NCS-1 bound to penothiazine FD44 2015-07-27 2017-01-25 Mansilla, A.,Chaves-Sanjuan, A.,Campillo, N.E.,Semelidou, O.,Martinez-Gonzalez, L.,Infantes, L.,Gonzalez-Rubio, J.M.,Gil, C.,Conde, S.,Skoulakis, E.M.,Ferrus, A.,Martinez, A.,Sanchez-Barrena, M.J. Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome. Proc. Natl. Acad. Sci. U.S.A. 2017 114 0 0 5FYX 28119500 Crystal structure of Drosophila NCS-1 bound to penothiazine FD16 2016-03-10 2017-01-25 Mansilla, A.,Chaves-Sanjuan, A.,Campillo, N.E.,Semelidou, O.,Martinez-Gonzalez, L.,Infantes, L.,Gonzalez-Rubio, J.M.,Gil, C.,Conde, S.,Skoulakis, E.M.,Ferrus, A.,Martinez, A.,Sanchez-Barrena, M.J. Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome. Proc. Natl. Acad. Sci. U.S.A. 2017 114 0 0 5G08 28119500 Crystal structure of Drosophila NCS-1 bound to chlorpromazine 2016-03-17 2017-01-25 Mansilla, A.,Chaves-Sanjuan, A.,Campillo, N.E.,Semelidou, O.,Martinez-Gonzalez, L.,Infantes, L.,Gonzalez-Rubio, J.M.,Gil, C.,Conde, S.,Skoulakis, E.M.,Ferrus, A.,Martinez, A.,Sanchez-Barrena, M.J. Interference of the complex between NCS-1 and Ric8a with phenothiazines regulates synaptic function and is an approach for fragile X syndrome. Proc. Natl. Acad. Sci. U.S.A. 2017 114 0 0 5MMH 28079369 The X-Ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa 2016-12-09 2017-01-25 Dik, D.A.,Dominguez-Gil, T.,Lee, M.,Hesek, D.,Byun, B.,Fishovitz, J.,Boggess, B.,Hellman, L.M.,Fisher, J.F.,Hermoso, J.A.,Mobashery, S. Muropeptide Binding and the X-ray Structure of the Effector Domain of the Transcriptional Regulator AmpR of Pseudomonas aeruginosa. J. Am. Chem. Soc. 2017 139 1448 1451 5M18 28099001 Crystal structure of PBP2a from MRSA in the presence of Cefepime ligand 2016-10-07 2017-02-08 Mahasenan, K.V.,Molina, R.,Bouley, R.,Batuecas, M.T.,Fisher, J.F.,Hermoso, J.A.,Chang, M.,Mobashery, S. Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc. 2017 139 2102 2110 5M19 28099001 Crystal structure of PBP2a from MRSA in the presence of Oxacillin ligand 2016-10-07 2017-02-08 Mahasenan, K.V.,Molina, R.,Bouley, R.,Batuecas, M.T.,Fisher, J.F.,Hermoso, J.A.,Chang, M.,Mobashery, S. Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc. 2017 139 2102 2110 5M1A 28099001 Crystal structure of PBP2a from MRSA in the presence of Ceftazidime ligand 2016-10-07 2017-02-08 Mahasenan, K.V.,Molina, R.,Bouley, R.,Batuecas, M.T.,Fisher, J.F.,Hermoso, J.A.,Chang, M.,Mobashery, S. Conformational Dynamics in Penicillin-Binding Protein 2a of Methicillin-Resistant Staphylococcus aureus, Allosteric Communication Network and Enablement of Catalysis. J. Am. Chem. Soc. 2017 139 2102 2110 5FW6 28338000 Structure of human transthyretin mutant A108V 2016-02-12 2017-03-08 Sant'Anna, R.,Almeida, M.R.,Varejao, N.,Gallego, P.,Esperante, S.,Ferreira, P.,Pereira-Henriques, A.,Palhano, F.L.,de Carvalho, M.,Foguel, D.,Reverter, D.,Saraiva, M.J.,Ventura, S. Cavity filling mutations at the thyroxine-binding site dramatically increase transthyretin stability and prevent its aggregation. Sci Rep 2017 7 44709 44709 5FW7 Structure of human transthyretin mutant A109V 2016-02-12 2017-03-08 Gallego, P.,Varejao, N.,Santanna, R.,Saraiva, M.J.,Ventura, S.,Reverter, D. Structure of New Non-Amyloidogenic Mutant of Ttr A108V To be Published 0 0 0 0 5I8L 29184076 Crystal structure of the full-length cell wall-binding module of Cpl7 mutant R223A 2016-02-19 2017-03-08 Bustamante, N.,Iglesias-Bexiga, M.,Bernardo-Garcia, N.,Silva-Martin, N.,Garcia, G.,Campanero-Rhodes, M.A.,Garcia, E.,Uson, I.,Buey, R.M.,Garcia, P.,Hermoso, J.A.,Bruix, M.,Menendez, M. Deciphering how Cpl-7 cell wall-binding repeats recognize the bacterial peptidoglycan. Sci Rep 2017 7 16494 16494 5J6S 28337326 Crystal structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in complex with a hydroxamic derivative ligand 2016-04-05 2017-03-15 Mpakali, A.,Giastas, P.,Deprez-Poulain, R.,Papakyriakou, A.,Koumantou, D.,Gealageas, R.,Tsoukalidou, S.,Vourloumis, D.,Mavridis, I.M.,Stratikos, E.,Saridakis, E. Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Med Chem Lett 2017 8 333 337 5JJM 28165461 Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide 2016-04-24 2017-03-15 Nadal, M.,Prekovic, S.,Gallastegui, N.,Helsen, C.,Abella, M.,Zielinska, K.,Gay, M.,Vilaseca, M.,Taules, M.,Houtsmuller, A.B.,van Royen, M.E.,Claessens, F.,Fuentes-Prior, P.,Estebanez-Perpina, E. Structure of the homodimeric androgen receptor ligand-binding domain. Nat Commun 2017 8 14388 14388 5IHI Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G 2016-02-29 2017-03-29 Camara-Artigas, A. Crystal Structure of the alpha spectrin SH3 domain double mutant V46G-D48G to be published 0 0 0 0 5IHK Crystal Structure of the alpha spectrin SH3 domain mutant N47A 2016-02-29 2017-03-29 Camara-Artigas, A. 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Functional Contacts between MPER and the Anti-HIV-1 Broadly Neutralizing Antibody 4E10 Extend into the Core of the Membrane J. Mol. Biol. 2017 429 1213 1226 5G1M 28482153 Crystal structure of NagZ from Pseudomonas aeruginosa 2016-03-28 2017-04-12 Acebron, I.,Mahasenan, K.V.,De Benedetti, S.,Lee, M.,Artola-Recolons, C.,Hesek, D.,Wang, H.,Hermoso, J.A.,Mobashery, S. Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc. 2017 139 6795 6798 5G3P 30528776 Bacillus cereus formamidase (BceAmiF) acetylated at the active site. 2016-04-29 2017-04-12 Martinez-Rodriguez, S.,Conejero-Muriel, M.,Gavira, J.A. A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member. Arch.Biochem.Biophys. 2019 662 151 159 5IFP 28391618 STRUCTURE OF BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER 2016-02-26 2017-04-19 Rico-Diaz, A.,Ramirez-Escudero, M.,Vizoso-Vazquez, A.,Cerdan, M.E.,Becerra, M.,Sanz-Aparicio, J. Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J. 2017 284 1815 1829 5IFT 28391618 STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 3-b-Galactopyranosyl glucose 2016-02-26 2017-04-19 Rico-Diaz, A.,Ramirez-Escudero, M.,Vizoso-Vazquez, A.,Cerdan, M.E.,Becerra, M.,Sanz-Aparicio, J. Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J. 2017 284 1815 1829 5IHR 28391618 STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH ALLOLACTOSE 2016-02-29 2017-04-19 Rico-Diaz, A.,Ramirez-Escudero, M.,Vizoso-Vazquez, A.,Cerdan, M.E.,Becerra, M.,Sanz-Aparicio, J. Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J. 2017 284 1815 1829 5JUV 28391618 STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-b-Galactopyranosyl galactose 2016-05-10 2017-04-19 Rico-Diaz, A.,Ramirez-Escudero, M.,Vizoso-Vazquez, A.,Cerdan, M.E.,Becerra, M.,Sanz-Aparicio, J. Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J. 2017 284 1815 1829 5MGC 28391618 STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 4-Galactosyl-lactose 2016-11-21 2017-04-19 Rico-Diaz, A.,Ramirez-Escudero, M.,Vizoso-Vazquez, A.,Cerdan, M.E.,Becerra, M.,Sanz-Aparicio, J. Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J. 2017 284 1815 1829 5MGD 28391618 STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose 2016-11-21 2017-04-19 Rico-Diaz, A.,Ramirez-Escudero, M.,Vizoso-Vazquez, A.,Cerdan, M.E.,Becerra, M.,Sanz-Aparicio, J. Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J. 2017 284 1815 1829 5FUD 28446708 Oceanobacillus iheyensis macrodomain with MES bound 2016-01-25 2017-05-03 Zapata-Perez, R.,Gil-Ortiz, F.,Martinez-Monino, A.B.,Garcia-Saura, A.G.,Juanhuix, J.,Sanchez-Ferrer, A. Structural and functional analysis ofOceanobacillus iheyensismacrodomain reveals a network of waters involved in substrate binding and catalysis. Open Biol 2017 7 0 0 5L9K 28446708 OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADPR 2016-06-10 2017-05-03 Zapata-Perez, R.,Gil-Ortiz, F.,Martinez-Monino, A.B.,Garcia-Saura, A.G.,Juanhuix, J.,Sanchez-Ferrer, A. Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis. Open Biol 2017 7 0 0 5L9Q 28446708 OCEANOBACILLUS IHEYENSIS MACRODOMAIN WITH ADP 2016-06-10 2017-05-03 Zapata-Perez, R.,Gil-Ortiz, F.,Martinez-Monino, A.B.,Garcia-Saura, A.G.,Juanhuix, J.,Sanchez-Ferrer, A. Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis. Open Biol 2017 7 0 0 5LAU 28446708 Oceanobacillus iheyensis macrodomain mutant G37V with ADPR 2016-06-15 2017-05-03 Zapata-Perez, R.,Gil-Ortiz, F.,Martinez-Monino, A.B.,Garcia-Saura, A.G.,Juanhuix, J.,Sanchez-Ferrer, A. Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis. Open Biol 2017 7 0 0 5LBP 28446708 Oceanobacillus iheyensis macrodomain mutant N30A 2016-06-16 2017-05-03 Zapata-Perez, R.,Gil-Ortiz, F.,Martinez-Monino, A.B.,Garcia-Saura, A.G.,Juanhuix, J.,Sanchez-Ferrer, A. Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis. Open Biol 2017 7 0 0 5LCC 28446708 Oceanobacillus iheyensis macrodomain mutant D40A 2016-06-20 2017-05-03 Zapata-Perez, R.,Gil-Ortiz, F.,Martinez-Monino, A.B.,Garcia-Saura, A.G.,Juanhuix, J.,Sanchez-Ferrer, A. Structural and functional analysis of Oceanobacillus iheyensis macrodomain reveals a network of waters involved in substrate binding and catalysis. Open Biol 2017 7 0 0 5LWX Crystal structure of the H253D mutant of McoG from Aspergillus niger 2016-09-19 2017-05-03 Ferraroni, M.,Westphal, A.H.,Borsari, M.,Tamayo-Ramos, J.A.,Briganti, F.,de Graaff, L.H.,van Berkel, W.J.H. Structure and function of Aspergillus niger laccase McoG Biocatalysis 2017 0 0 0 5MW8 28450399 INOSITOL 1,3,4,5,6-PENTAKISPHOSPHATE 2-KINASE FROM M. 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The crystal structure of mammalian inositol 1,3,4,5,6-pentakisphosphate 2-kinase reveals a new zinc-binding site and key features for protein function. J. Biol. Chem. 2017 292 10534 10548 5N8X 28460010 Trigonal structure of mutant V173I of 3D polymerase from Foot-and-Mouth Disease Virus 2017-02-24 2017-05-10 de la Higuera, I.,Ferrer-Orta, C.,de Avila, A.I.,Perales, C.,Sierra, M.,Singh, K.,Sarafianos, S.G.,Dehouck, Y.,Bastolla, U.,Verdaguer, N.,Domingo, E. Molecular and Functional Bases of Selection against a Mutation Bias in an RNA Virus. Genome Biol Evol 2017 9 1212 1228 5N95 28460010 Tetragonal structure of mutant V173I of 3D polymerase from Foot-and-Mouth Disease Virus 2017-02-24 2017-05-10 de la Higuera, I.,Ferrer-Orta, C.,de Avila, A.I.,Perales, C.,Sierra, M.,Singh, K.,Sarafianos, S.G.,Dehouck, Y.,Bastolla, U.,Verdaguer, N.,Domingo, E. Molecular and Functional Bases of Selection against a Mutation Bias in an RNA Virus. Genome Biol Evol 2017 9 1212 1228 5G3R 28482153 Crystal structure of NagZ from Pseudomonas aeruginosa in complex with N-acetylglucosamine and L-Ala-1,6-anhydroMurNAc 2016-04-30 2017-05-17 Acebron, I.,Mahasenan, K.V.,De Benedetti, S.,Lee, M.,Artola-Recolons, C.,Hesek, D.,Wang, H.,Hermoso, J.A.,Mobashery, S. Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. Soc. 2017 139 6795 6798 5G5U 28482153 Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa 2016-06-05 2017-05-17 Acebron, I.,Mahasenan, K.V.,De Benedetti, S.,Lee, M.,Artola-Recolons, C.,Hesek, D.,Wang, H.,Hermoso, J.A.,Mobashery, S. Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa. J. Am. Chem. 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Structural Characterization of Rat Galectin-5, an N-Tailed Monomeric Proto-Type-like Galectin. Biomolecules 2021 11 0 0 5JRN Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution 2016-05-06 2017-05-24 Gomez, S.,Payne, A.M.,Savko, M.,Fox, G.C.,Shepard, W.E.,Fernandez, F.J.,Vega, M.C. Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution To Be Published 0 0 0 0 5NCT 28512127 Structure of the trypsin induced serpin-type proteinase inhibitor, miropin. 2017-03-06 2017-05-24 Goulas, T.,Ksiazek, M.,Garcia-Ferrer, I.,Sochaj-Gregorczyk, A.M.,Waligorska, I.,Wasylewski, M.,Potempa, J.,Gomis-Ruth, F.X. A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome. J. Biol. 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Chem. 2017 292 10883 10898 5NJI 28377293 Structure of the dehydratase domain of PpsC from Mycobacterium tuberculosis in complex with C12:1-CoA 2017-03-28 2017-05-31 Faille, A.,Gavalda, S.,Slama, N.,Lherbet, C.,Maveyraud, L.,Guillet, V.,Laval, F.,Quemard, A.,Mourey, L.,Pedelacq, J.D. Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases. J. Mol. Biol. 2017 429 1554 1569 5G5N 28943338 Structure of the snake adenovirus 1 hexon-interlacing LH3 protein, methylmercury chloride derivative 2016-05-26 2017-06-07 Menendez-Conejero, R.,Nguyen, T.H.,Singh, A.K.,Condezo, G.N.,Marschang, R.E.,van Raaij, M.J.,San Martin, C. Structure of a Reptilian Adenovirus Reveals a Phage Tailspike Fold Stabilizing a Vertebrate Virus Capsid. Structure 2017 25 1562 1573 5NNN 28552578 Aspartate transcarbamoylase from Chaetomium thermophilum CAD-like 2017-04-10 2017-06-07 Moreno-Morcillo, M.,Grande-Garcia, A.,Ruiz-Ramos, A.,Del Cano-Ochoa, F.,Boskovic, J.,Ramon-Maiques, S. Structural Insight into the Core of CAD, the Multifunctional Protein Leading De Novo Pyrimidine Biosynthesis. Structure 2017 25 912 0 5NNQ 28552578 Aspartate transcarbamoylase from Chaetomium thermophilum CAD-like bound to carbamoyl phosphate 2017-04-10 2017-06-07 Moreno-Morcillo, M.,Grande-Garcia, A.,Ruiz-Ramos, A.,Del Cano-Ochoa, F.,Boskovic, J.,Ramon-Maiques, S. Structural Insight into the Core of CAD, the Multifunctional Protein Leading De Novo Pyrimidine Biosynthesis. Structure 2017 25 912 0 5LIT 28637278 Structure of the DNA duplex d(AAATTT)2 with the potential antiparasitic drug 6XV at 1.25 A resolution 2016-07-15 2017-06-14 Millan, C.R.,Acosta-Reyes, F.J.,Lagartera, L.,Ebiloma, G.U.,Lemgruber, L.,Nue Martinez, J.J.,Saperas, N.,Dardonville, C.,de Koning, H.P.,Campos, J.L. Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast. Nucleic Acids Res. 2017 45 8378 8391 5TC3 28572600 Structure of IMP dehydrogenase from Ashbya gossypii bound to ATP and GDP 2016-09-14 2017-06-14 Buey, R.M.,Fernandez-Justel, D.,Marcos-Alcalde, I.,Winter, G.,Gomez-Puertas, P.,de Pereda, J.M.,Luis Revuelta, J. A nucleotide-controlled conformational switch modulates the activity of eukaryotic IMP dehydrogenases. Sci Rep 2017 7 2648 2648 5G59 29307486 Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P3121 2016-05-23 2017-06-21 Varejao, N.,De-Andrade, R.A.,Almeida, R.V.,Anobom, C.D.,Foguel, D.,Reverter, D. Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase. Structure 2018 26 199 0 5G5C 29307486 Structure of the Pyrococcus furiosus Esterase Pf2001 with space group C2221 2016-05-23 2017-06-21 Varejao, N.,De-Andrade, R.A.,Almeida, R.V.,Anobom, C.D.,Foguel, D.,Reverter, D. Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase. Structure 2018 26 199 0 5G5M 29307486 Structure of the Pyrococcus Furiosus Esterase Pf2001 with space group P21 2016-05-26 2017-06-21 Varejao, N.,De-Andrade, R.A.,Almeida, R.V.,Anobom, C.D.,Foguel, D.,Reverter, D. Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase. Structure 2018 26 199 0 5LO8 28634303 The C2B domain of Rabphilin 3A in complex with PI(4,5)P2 2016-08-08 2017-06-21 Ferrer-Orta, C.,Perez-Sanchez, M.D.,Coronado-Parra, T.,Silva, C.,Lopez-Martinez, D.,Baltanas-Copado, J.,Gomez-Fernandez, J.C.,Corbalan-Garcia, S.,Verdaguer, N. Structural characterization of the Rabphilin-3A-SNAP25 interaction. Proc. Natl. Acad. Sci. 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Front Microbiol 2017 8 541 541 5OAV High resolution crystal structure of the c-Src-SH3 domain mutant E93V in complex with the high affinity synthetic peptide APP12: monoclinic crystal 2017-06-23 2017-07-12 Camara-Artigas, A. High resolution crystal structure of the c-Src-SH3 domain mutant E93V in complex with the high affinity synthetic peptide APP12: monoclinic crystal to be published 0 0 0 0 5OAZ Crystal structure of the Abl-SH3 domain at pH 7.5 2017-06-25 2017-07-12 Camara-Artigas, A. Crystal structure of the Abl-SH3 domain at pH 7.5 to be published 0 0 0 0 5U4Z Crystal structure of citrus MAF1 in space group P 31 2 1 2016-12-06 2017-07-19 Soprano, A.S.,Giuseppe, P.O.,Nascimento, A.F.Z.,Benedetti, C.E.,Murakami, M.T. Crystal structure of citrus MAF1 in space group P 31 2 1 To Be Published 0 0 0 0 5LCN 29307486 STRUCTURE OF THE PYROCOCCUS FURIOSUS ESTERASE PF2001 WITH SPACE GROUP P212121 2016-06-22 2017-08-02 Varejao, N.,De-Andrade, R.A.,Almeida, R.V.,Anobom, C.D.,Foguel, D.,Reverter, D. Structural Mechanism for the Temperature-Dependent Activation of the Hyperthermophilic Pf2001 Esterase. Structure 2018 26 199 0 5LJP 28702545 E20K/I59A/E72K/I92A/D126K/A142V FLAVODOXIN FROM ANABAENA 2016-07-19 2017-08-02 Lamazares, E.,Vega, S.,Ferreira, P.,Medina, M.,Galano-Frutos, J.J.,Martinez-Julvez, M.,Velazquez-Campoy, A.,Sancho, J. Direct examination of the relevance for folding, binding and electron transfer of a conserved protein folding intermediate. Phys Chem Chem Phys 2017 19 19021 19031 5MMQ 28736053 ABA RECEPTOR FROM CITRUS, CSPYL1 2016-12-12 2017-08-02 Moreno-Alvero, M.,Yunta, C.,Gonzalez-Guzman, M.,Lozano-Juste, J.,Benavente, J.L.,Arbona, V.,Menendez, M.,Martinez-Ripoll, M.,Infantes, L.,Gomez-Cadenas, A.,Rodriguez, P.L.,Albert, A. Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor. Mol Plant 2017 10 1250 1253 5MMX 28736053 ABA RECEPTOR FROM CITRUS, CSPYL1 2016-12-12 2017-08-02 Moreno-Alvero, M.,Yunta, C.,Gonzalez-Guzman, M.,Lozano-Juste, J.,Benavente, J.L.,Arbona, V.,Menendez, M.,Martinez-Ripoll, M.,Infantes, L.,Gomez-Cadenas, A.,Rodriguez, P.L.,Albert, A. Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor. Mol Plant 2017 10 1250 1253 5MN0 28736053 ABA RECEPTOR FROM CITRUS, CSPYL1 2016-12-12 2017-08-02 Moreno-Alvero, M.,Yunta, C.,Gonzalez-Guzman, M.,Lozano-Juste, J.,Benavente, J.L.,Arbona, V.,Menendez, M.,Martinez-Ripoll, M.,Infantes, L.,Gomez-Cadenas, A.,Rodriguez, P.L.,Albert, A. Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor. Mol Plant 2017 10 1250 1253 5O1X 28973465 Structure of Nrd1 RNA binding domain 2017-05-19 2017-08-02 Franco-Echevarria, E.,Gonzalez-Polo, N.,Zorrilla, S.,Martinez-Lumbreras, S.,Santiveri, C.M.,Campos-Olivas, R.,Sanchez, M.,Calvo, O.,Gonzalez, B.,Perez-Canadillas, J.M. The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition. Nucleic Acids Res. 2017 45 10293 10305 5O1Y 28973465 Structure of Nrd1 RNA binding domain in complex with RNA (GUAA) 2017-05-19 2017-08-02 Franco-Echevarria, E.,Gonzalez-Polo, N.,Zorrilla, S.,Martinez-Lumbreras, S.,Santiveri, C.M.,Campos-Olivas, R.,Sanchez, M.,Calvo, O.,Gonzalez, B.,Perez-Canadillas, J.M. The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition. Nucleic Acids Res. 2017 45 10293 10305 5O1Z 28973465 Structure of Nrd1 RNA binding domain in complex with RNA (CGUAAA) 2017-05-19 2017-08-02 Franco-Echevarria, E.,Gonzalez-Polo, N.,Zorrilla, S.,Martinez-Lumbreras, S.,Santiveri, C.M.,Campos-Olivas, R.,Sanchez, M.,Calvo, O.,Gonzalez, B.,Perez-Canadillas, J.M. The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition. 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ACS Med Chem Lett 2017 8 1122 1127 5ME5 28522457 Crystal Structure of eiF4E from C. melo bound to a eIF4G peptide 2016-11-14 2017-08-23 Miras, M.,Truniger, V.,Silva, C.,Verdaguer, N.,Aranda, M.A.,Querol-Audi, J. Structure of eIF4E in Complex with an eIF4G Peptide Supports a Universal Bipartite Binding Mode for Protein Translation. Plant Physiol. 2017 174 1476 1491 5ME6 28522457 Crystal Structure of eiF4E from C. melo bound to a CAP analog 2016-11-14 2017-08-23 Miras, M.,Truniger, V.,Silva, C.,Verdaguer, N.,Aranda, M.A.,Querol-Audi, J. Structure of eIF4E in Complex with an eIF4G Peptide Supports a Universal Bipartite Binding Mode for Protein Translation. Plant Physiol. 2017 174 1476 1491 5ME7 28522457 Crystal Structure of eiF4E from C. melo 2016-11-14 2017-08-23 Miras, M.,Truniger, V.,Silva, C.,Verdaguer, N.,Aranda, M.A.,Querol-Audi, J. Structure of eIF4E in Complex with an eIF4G Peptide Supports a Universal Bipartite Binding Mode for Protein Translation. 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PLoS Pathog. 2017 13 0 0 5NLC 28914444 Structure of PipY, the COG0325 family member of Synechococcus elongatus PCC7942,without PLP 2017-04-04 2017-09-13 Tremino, L.,Forcada-Nadal, A.,Contreras, A.,Rubio, V. Studies on cyanobacterial protein PipY shed light on structure, potential functions, and vitamin B6 -dependent epilepsy. FEBS Lett. 2017 591 3431 3442 5NYZ 28894239 Twist and induce: Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 dUTPase. D95E mutant from dUTPase 80alpha phage. 2017-05-12 2017-09-20 Alite, C.,Humphrey, S.,Donderis, J.,Maiques, E.,Ciges-Tomas, J.R.,Penades, J.R.,Marina, A. Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 alpha dUTPase. Sci Rep 2017 7 11234 11234 5VIZ X-Ray structure of Insulin Glargine 2017-04-17 2017-10-18 Reyes-Grajeda, J.P.,Romero, A. 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U.S.A. 2018 115 0 0 5NMN 29133814 Atomic resolution structure of LL-37 in a monomeric state 2017-04-06 2018-01-24 Sancho-Vaello, E.,Francois, P.,Bonetti, E.J.,Lilie, H.,Finger, S.,Gil-Ortiz, F.,Gil-Carton, D.,Zeth, K. Structural remodeling and oligomerization of human cathelicidin on membranes suggest fibril-like structures as active species. Sci Rep 2017 7 15371 15371 5NNK 29133814 The structure of LL-37 crystallized in the presence LDAO 2017-04-10 2018-01-24 Sancho-Vaello, E.,Francois, P.,Bonetti, E.J.,Lilie, H.,Finger, S.,Gil-Ortiz, F.,Gil-Carton, D.,Zeth, K. Structural remodeling and oligomerization of human cathelicidin on membranes suggest fibril-like structures as active species. Sci Rep 2017 7 15371 15371 5NNM 29133814 The crystal structure of dimeric LL-37 2017-04-10 2018-01-24 Sancho-Vaello, E.,Francois, P.,Bonetti, E.J.,Lilie, H.,Finger, S.,Gil-Ortiz, F.,Gil-Carton, D.,Zeth, K. 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Biochimie 2018 146 127 138 5NLE 29248541 Chicken GRIFIN (crystallisation pH: 8.0) 2017-04-04 2018-02-14 Ruiz, F.M.,Gilles, U.,Ludwig, A.K.,Sehad, C.,Shiao, T.C.,Garcia Caballero, G.,Kaltner, H.,Lindner, I.,Roy, R.,Reusch, D.,Romero, A.,Gabius, H.J. Chicken GRIFIN: Structural characterization in crystals and in solution. Biochimie 2018 146 127 138 5NLH 29248541 Chicken GRIFIN (crystallisation pH: 8.5) 2017-04-04 2018-02-14 Ruiz, F.M.,Gilles, U.,Ludwig, A.K.,Sehad, C.,Shiao, T.C.,Garcia Caballero, G.,Kaltner, H.,Lindner, I.,Roy, R.,Reusch, D.,Romero, A.,Gabius, H.J. Chicken GRIFIN: Structural characterization in crystals and in solution. Biochimie 2018 146 127 138 5NLZ 29248541 GRIFIN (Crystallisation pH: 4.2) 2017-04-05 2018-02-14 Ruiz, F.M.,Gilles, U.,Ludwig, A.K.,Sehad, C.,Shiao, T.C.,Garcia Caballero, G.,Kaltner, H.,Lindner, I.,Roy, R.,Reusch, D.,Romero, A.,Gabius, H.J. Chicken GRIFIN: Structural characterization in crystals and in solution. Biochimie 2018 146 127 138 5NM1 29248541 Chicken GRIFIN (crystallisation pH: 6.2) 2017-04-05 2018-02-14 Ruiz, F.M.,Gilles, U.,Ludwig, A.K.,Sehad, C.,Shiao, T.C.,Garcia Caballero, G.,Kaltner, H.,Lindner, I.,Roy, R.,Reusch, D.,Romero, A.,Gabius, H.J. Chicken GRIFIN: Structural characterization in crystals and in solution. Biochimie 2018 146 127 138 5NMJ 29248541 Chicken GRIFIN (crystallisation pH: 6.5) 2017-04-06 2018-02-14 Ruiz, F.M.,Gilles, U.,Ludwig, A.K.,Sehad, C.,Shiao, T.C.,Garcia Caballero, G.,Kaltner, H.,Lindner, I.,Roy, R.,Reusch, D.,Romero, A.,Gabius, H.J. Chicken GRIFIN: Structural characterization in crystals and in solution. Biochimie 2018 146 127 138 5ME8 31026448 N-terminal domain of the human tumor suppressor ING5 2016-11-14 2018-03-14 Ormaza, G.,Rodriguez, J.A.,Ibanez de Opakua, A.,Merino, N.,Villate, M.,Gorrono, I.,Rabano, M.,Palmero, I.,Vilaseca, M.,Kypta, R.,Vivanco, M.D.M.,Rojas, A.L.,Blanco, F.J. The Tumor Suppressor ING5 Is a Dimeric, Bivalent Recognition Molecule of the Histone H3K4me3 Mark. J.Mol.Biol. 2019 431 2298 2319 5N83 30277856 Structure of the distal domain of mouse adenovirus 2 fibre, methylmercury chloride derivative 2017-02-22 2018-03-14 Singh, A.K.,Nguyen, T.H.,Vidovszky, M.Z.,Harrach, B.,Benko, M.,Kirwan, A.,Joshi, L.,Kilcoyne, M.,Berbis, M.A.,Canada, F.J.,Jimenez-Barbero, J.,Menendez, M.,Wilson, S.S.,Bromme, B.A.,Smith, J.G.,van Raaij, M.J. Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre. J. Gen. Virol. 2018 99 1494 1508 5N8D 30277856 Structure of the distal domain of mouse adenovirus 2 fibre, P21 native 2017-02-23 2018-03-14 Singh, A.K.,Nguyen, T.H.,Vidovszky, M.Z.,Harrach, B.,Benko, M.,Kirwan, A.,Joshi, L.,Kilcoyne, M.,Berbis, M.A.,Canada, F.J.,Jimenez-Barbero, J.,Menendez, M.,Wilson, S.S.,Bromme, B.A.,Smith, J.G.,van Raaij, M.J. Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre. J. Gen. Virol. 2018 99 1494 1508 5NQ6 29045454 Crystal structure of the inhibited form of the redox-sensitive SufE-like sulfur acceptor CsdE from Escherichia coli at 2.40 Angstrom Resolution 2017-04-19 2018-03-28 Pena-Soler, E.,Aranda, J.,Lopez-Estepa, M.,Gomez, S.,Garces, F.,Coll, M.,Fernandez, F.J.,Tunon, I.,Vega, M.C. Insights into the inhibited form of the redox-sensitive SufE-like sulfur acceptor CsdE. PLoS ONE 2017 12 0 0 5OHU 29632171 The X-ray Structure of Lytic Transglycosylase Slt from Pseudomonas aeruginosa 2017-07-18 2018-04-18 Lee, M.,Batuecas, M.T.,Tomoshige, S.,Dominguez-Gil, T.,Mahasenan, K.V.,Dik, D.A.,Hesek, D.,Millan, C.,Uson, I.,Lastochkin, E.,Hermoso, J.A.,Mobashery, S. Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A. 2018 115 4393 4398 6FBT 29632171 The X-ray Structure of Lytic Transglycosylase Slt from Pseudomonas aeruginosa in complex with the reaction product NAG-anhNAMpentapeptide 2017-12-19 2018-04-18 Lee, M.,Batuecas, M.T.,Tomoshige, S.,Dominguez-Gil, T.,Mahasenan, K.V.,Dik, D.A.,Hesek, D.,Millan, C.,Uson, I.,Lastochkin, E.,Hermoso, J.A.,Mobashery, S. Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A. 2018 115 4393 4398 6FC4 29632171 The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa 2017-12-20 2018-04-18 Lee, M.,Batuecas, M.T.,Tomoshige, S.,Dominguez-Gil, T.,Mahasenan, K.V.,Dik, D.A.,Hesek, D.,Millan, C.,Uson, I.,Lastochkin, E.,Hermoso, J.A.,Mobashery, S. Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A. 2018 115 4393 4398 6FCQ 29632171 The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with Bulgecin A 2017-12-21 2018-04-18 Lee, M.,Batuecas, M.T.,Tomoshige, S.,Dominguez-Gil, T.,Mahasenan, K.V.,Dik, D.A.,Hesek, D.,Millan, C.,Uson, I.,Lastochkin, E.,Hermoso, J.A.,Mobashery, S. Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A. 2018 115 4393 4398 6FCR 29632171 The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMtetrapeptide-NAG-anhNAMtetrapeptide 2017-12-21 2018-04-18 Lee, M.,Batuecas, M.T.,Tomoshige, S.,Dominguez-Gil, T.,Mahasenan, K.V.,Dik, D.A.,Hesek, D.,Millan, C.,Uson, I.,Lastochkin, E.,Hermoso, J.A.,Mobashery, S. Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A. 2018 115 4393 4398 6FCS 29632171 The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with NAG-NAMpentapeptide-NAG-NAMpentapeptide 2017-12-21 2018-04-18 Lee, M.,Batuecas, M.T.,Tomoshige, S.,Dominguez-Gil, T.,Mahasenan, K.V.,Dik, D.A.,Hesek, D.,Millan, C.,Uson, I.,Lastochkin, E.,Hermoso, J.A.,Mobashery, S. Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A. 2018 115 4393 4398 6FCU 29632171 The X-ray Structure of Lytic Transglycosylase Slt inactive mutant E503Q from Pseudomonas aeruginosa in complex with 4(NAG-NAMpentapeptide) 2017-12-21 2018-04-18 Lee, M.,Batuecas, M.T.,Tomoshige, S.,Dominguez-Gil, T.,Mahasenan, K.V.,Dik, D.A.,Hesek, D.,Millan, C.,Uson, I.,Lastochkin, E.,Hermoso, J.A.,Mobashery, S. Exolytic and endolytic turnover of peptidoglycan by lytic transglycosylase Slt ofPseudomonas aeruginosa. Proc. Natl. Acad. Sci. U.S.A. 2018 115 4393 4398 5O9P 29164827 Crystal structure of Gas2 in complex with compound 10 2017-06-19 2018-05-02 Delso, I.,Valero-Gonzalez, J.,Gomollon-Bel, F.,Castro-Lopez, J.,Fang, W.,Navratilova, I.,van Aalten, D.M.F.,Tejero, T.,Merino, P.,Hurtado-Guerrero, R. Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem 2018 13 128 132 5O9Q 29164827 Crystal structure of ScGas2 in complex with compound 6 2017-06-20 2018-05-02 Delso, I.,Valero-Gonzalez, J.,Gomollon-Bel, F.,Castro-Lopez, J.,Fang, W.,Navratilova, I.,van Aalten, D.M.F.,Tejero, T.,Merino, P.,Hurtado-Guerrero, R. Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem 2018 13 128 132 5OA6 29164827 Crystal structure of ScGas2 in complex with compound 12 2017-06-21 2018-05-02 Delso, I.,Valero-Gonzalez, J.,Gomollon-Bel, F.,Castro-Lopez, J.,Fang, W.,Navratilova, I.,van Aalten, D.M.F.,Tejero, T.,Merino, P.,Hurtado-Guerrero, R. Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem 2018 13 128 132 5OBW 29520883 Mycoplasma genitalium DnaK-NBD in complex with ATP 2017-06-29 2018-05-09 Adell, M.,Calisto, B.M.,Fita, I.,Martinelli, L. The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone. Protein Sci. 2018 27 1000 1007 5OBX 29520883 Mycoplasma genitalium DnaK-NBD 2017-06-29 2018-05-09 Adell, M.,Calisto, B.M.,Fita, I.,Martinelli, L. The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone. Protein Sci. 2018 27 1000 1007 5OBY 29520883 Mycoplasma genitalium DnaK-NBD in complex with AMP-PNP 2017-06-29 2018-05-09 Adell, M.,Calisto, B.M.,Fita, I.,Martinelli, L. The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone. Protein Sci. 2018 27 1000 1007 6F1L 29717719 Lysozyme crystallized in presence of 100 mM sodium phosphate at pH 4.5 2017-11-22 2018-05-09 Plaza-Garrido, M.,Salinas-Garcia, M.C.,Camara-Artigas, A. Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding. Acta Crystallogr D Struct Biol 2018 74 480 489 6F1M 29717719 Lysozyme crystallized in presence of 100 mM sodium phosphate at pH 4.5: low-humidity form 2017-11-22 2018-05-09 Plaza-Garrido, M.,Salinas-Garcia, M.C.,Camara-Artigas, A. Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding. Acta Crystallogr D Struct Biol 2018 74 480 489 6F1O 29717719 Orthorhombic Lysozyme crystallized at 298 K and pH 4.5 2017-11-22 2018-05-09 Plaza-Garrido, M.,Salinas-Garcia, M.C.,Camara-Artigas, A. Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding. Acta Crystallogr D Struct Biol 2018 74 480 489 6F1P 29717719 Tetragonal Lysozyme crystallized at 298 K and pH 4.5 with phosphate bound 2017-11-22 2018-05-09 Plaza-Garrido, M.,Salinas-Garcia, M.C.,Camara-Artigas, A. Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding. Acta Crystallogr D Struct Biol 2018 74 480 489 6F1R 29717719 Tetragonal Lysozyme crystallized at 298 K and pH 4.5 with phosphate bound: control experiment 2017-11-22 2018-05-09 Plaza-Garrido, M.,Salinas-Garcia, M.C.,Camara-Artigas, A. Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding. Acta Crystallogr D Struct Biol 2018 74 480 489 6F9X 29717719 Lysozyme crystallized in presence of 100 mM lithium sulphate at pH 4.5 2017-12-15 2018-05-09 Plaza-Garrido, M.,Salinas-Garcia, M.C.,Camara-Artigas, A. Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding. Acta Crystallogr D Struct Biol 2018 74 480 489 6F9Y 29717719 Lysozyme crystallized in presence of 10 mM lithium sulphate at pH 4.5 2017-12-15 2018-05-09 Plaza-Garrido, M.,Salinas-Garcia, M.C.,Camara-Artigas, A. Orthorhombic lysozyme crystallization at acidic pH values driven by phosphate binding. Acta Crystallogr D Struct Biol 2018 74 480 489 5NHX Periplasmic domain of Outer Membrane Protein A from Klebsiella pneumoniae 2017-03-22 2018-05-16 Nars, G.,Iordanov, I.,Saurel, O.,Tranier, S.,Mourey, L.,Milon, A.,Demange, P. Structure and dynamics of the C-terminal domain of OmpA from Klebsiella pneumonia To Be Published 0 0 0 0 5MIY 29415051 Crystal structure of the E3 ubiquitin ligase RavN from Legionella pneumophila 2016-11-29 2018-05-23 Lin, Y.H.,Lucas, M.,Evans, T.R.,Abascal-Palacios, G.,Doms, A.G.,Beauchene, N.A.,Rojas, A.L.,Hierro, A.,Machner, M.P. RavN is a member of a previously unrecognized group of Legionella pneumophila E3 ubiquitin ligases. PLoS Pathog. 2018 14 0 0 5OAU 29357220 Penicillin-Binding Protein 2X (PBP2X) from Streptococcus pneumoniae 2017-06-23 2018-05-30 Bernardo-Garcia, N.,Mahasenan, K.V.,Batuecas, M.T.,Lee, M.,Hesek, D.,Petrackova, D.,Doubravova, L.,Branny, P.,Mobashery, S.,Hermoso, J.A. 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J.Am.Chem.Soc. 2019 141 4063 4072 5NDX The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I 2017-03-09 2018-07-11 Raich, L.,Valero-Gonzalez, J.,Castro-Lopez, J.,Millan, C.,Jimenez-Garcia, M.J.,Nieto, P.,Uson, I.,Hurtado-Guerrero, R.,Rovira, C. The bacterial orthologue of Human a-L-iduronidase does not need N-glycan post-translational modifications to be catalytically competent: Crystallography and QM/MM insights into Mucopolysaccharidosis I. To Be Published 0 0 0 0 6FOF 29959397 Crystal structure of a crystallized variant of h-Gal3: Gal-3[NTS/VII-IX] 2018-02-07 2018-07-18 Flores-Ibarra, A.,Vertesy, S.,Medrano, F.J.,Gabius, H.J.,Romero, A. Crystallization of a human galectin-3 variant with two ordered segments in the shortened N-terminal tail. 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Acs Omega 2018 3 8497 8505 5OX7 30367053 Structure of P110 from Mycoplasma genitalium at 2.4A with potassium ion 2017-09-06 2018-10-10 Aparicio, D.,Torres-Puig, S.,Ratera, M.,Querol, E.,Pinol, J.,Pich, O.Q.,Fita, I. Mycoplasma genitalium adhesin P110 binds sialic-acid human receptors. Nat Commun 2018 9 4471 4471 5OXW 29754955 Structure of NeqN from Nanoarchaeum equitans 2017-09-07 2018-10-10 Gordo, V.,Aparicio, D.,Perez-Luque, R.,Benito, A.,Vilanova, M.,Uson, I.,Fita, I.,Ribo, M. Structural Insights into Subunits Assembly and the Oxyester Splicing Mechanism of Neq pol Split Intein. Cell Chem Biol 2018 25 871 0 5OXX 29754955 Crystal structure of NeqN/NeqC complex from Nanoarcheaum equitans at 1.7A 2017-09-07 2018-10-10 Gordo, V.,Aparicio, D.,Perez-Luque, R.,Benito, A.,Vilanova, M.,Uson, I.,Fita, I.,Ribo, M. Structural Insights into Subunits Assembly and the Oxyester Splicing Mechanism of Neq pol Split Intein. 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Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD. J. Biol. Chem. 2018 293 18903 18913 6HFF 30315107 Human dihydroorotase mutant F1563Y apo structure 2018-08-21 2018-10-24 Del Cano-Ochoa, F.,Grande-Garcia, A.,Reverte-Lopez, M.,D'Abramo, M.,Ramon-Maiques, S. Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD. J. Biol. Chem. 2018 293 18903 18913 6HFI 30315107 Human dihydroorotase mutant F1563A apo structure 2018-08-21 2018-10-24 Del Cano-Ochoa, F.,Grande-Garcia, A.,Reverte-Lopez, M.,D'Abramo, M.,Ramon-Maiques, S. Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD. J. Biol. 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Acs Chem.Biol. 2018 13 3259 3268 6GNA 30510005 Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium acetobutylicum at 1.3 A resolution 2018-05-30 2018-12-12 Buey, R.M.,Fernandez-Justel, D.,de Pereda, J.M.,Revuelta, J.L.,Schurmann, P.,Buchanan, B.B.,Balsera, M. Ferredoxin-linked flavoenzyme defines a family of pyridine nucleotide-independent thioredoxin reductases. Proc. Natl. Acad. Sci. U.S.A. 2018 115 12967 12972 6GNB 30510005 Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium acetobutylicum at 1.9 A resolution 2018-05-30 2018-12-12 Buey, R.M.,Fernandez-Justel, D.,de Pereda, J.M.,Revuelta, J.L.,Schurmann, P.,Buchanan, B.B.,Balsera, M. Ferredoxin-linked flavoenzyme defines a family of pyridine nucleotide-independent thioredoxin reductases. Proc. Natl. Acad. Sci. 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Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus To Be Published 0 0 0 0 6TWW 32832059 Variant W229D/F290W-19 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) 2020-01-13 2020-06-03 Risso, V.A.,Romero-Rivera, A.,Gutierrez-Rus, L.I.,Ortega-Munoz, M.,Santoyo-Gonzalez, F.,Gavira, J.A.,Sanchez-Ruiz, J.M.,Kamerlin, S.C.L. Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci 2020 11 6134 6148 6TXD 32832059 Variant W229D/F290W-12 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) 2020-01-14 2020-06-03 Risso, V.A.,Romero-Rivera, A.,Gutierrez-Rus, L.I.,Ortega-Munoz, M.,Santoyo-Gonzalez, F.,Gavira, J.A.,Sanchez-Ruiz, J.M.,Kamerlin, S.C.L. Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci 2020 11 6134 6148 6TY6 32832059 Variant W229D/F290W-2 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) bound to 5(6)-nitrobenzotriazole (TS-analog) 2020-01-15 2020-06-03 Risso, V.A.,Romero-Rivera, A.,Gutierrez-Rus, L.I.,Ortega-Munoz, M.,Santoyo-Gonzalez, F.,Gavira, J.A.,Sanchez-Ruiz, J.M.,Kamerlin, S.C.L. Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening. Chem Sci 2020 11 6134 6148 6SYQ 32409580 ASR Alternansucrase in complex with isomaltotriose 2019-09-30 2020-06-17 Molina, M.,Moulis, C.,Monties, N.,Guieysse, D.,Morel, S.,Cioci, G.,Remaud-Simeon, M. A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem. 2020 295 9474 9489 6T18 32409580 ASR Alternansucrase in complex with oligoalternan 2019-10-03 2020-06-17 Molina, M.,Moulis, C.,Monties, N.,Guieysse, D.,Morel, S.,Cioci, G.,Remaud-Simeon, M. A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem. 2020 295 9474 9489 6T1P 32409580 ASR Alternansucrase in complex with isomaltononaose 2019-10-04 2020-06-17 Molina, M.,Moulis, C.,Monties, N.,Guieysse, D.,Morel, S.,Cioci, G.,Remaud-Simeon, M. A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation. J.Biol.Chem. 2020 295 9474 9489 6RUT 32513917 Mycoplasma Genitalium Heterodimer Nap Complex (P140-P110 globular) 2019-05-29 2020-06-24 Aparicio, D.,Scheffer, M.P.,Marcos-Silva, M.,Vizarraga, D.,Sprankel, L.,Ratera, M.,Weber, M.S.,Seybert, A.,Torres-Puig, S.,Gonzalez-Gonzalez, L.,Reitz, J.,Querol, E.,Pinol, J.,Pich, O.Q.,Fita, I.,Frangakis, A.S. Structure and mechanism of the Nap adhesion complex from the human pathogen Mycoplasma genitalium. Nat Commun 2020 11 2877 2877 6S3U 32513917 Adhesin P140 from Mycoplasma Genitalium 2019-06-26 2020-06-24 Aparicio, D.,Scheffer, M.P.,Marcos-Silva, M.,Vizarraga, D.,Sprankel, L.,Ratera, M.,Weber, M.S.,Seybert, A.,Torres-Puig, S.,Gonzalez-Gonzalez, L.,Reitz, J.,Querol, E.,Pinol, J.,Pich, O.Q.,Fita, I.,Frangakis, A.S. Structure and mechanism of the Nap adhesion complex from the human pathogen Mycoplasma genitalium. Nat Commun 2020 11 2877 2877 6T3H 32658272 Structure of the Rap conjugation gene regulator of the plasmid pLS20 in apo form 2019-10-11 2020-06-24 Crespo, I.,Bernardo, N.,Miguel-Arribas, A.,Singh, P.K.,Luque-Ortega, J.R.,Alfonso, C.,Malfois, M.,Meijer, W.J.J.,Boer, D.R. Inactivation of the dimeric RappLS20 anti-repressor of the conjugation operon is mediated by peptide-induced tetramerization. Nucleic Acids Res. 2020 48 8113 8127 6T46 32658272 Structure of the Rap conjugation gene regulator of the plasmid pLS20 in complex with the Phr* peptide 2019-10-12 2020-06-24 Crespo, I.,Bernardo, N.,Miguel-Arribas, A.,Singh, P.K.,Luque-Ortega, J.R.,Alfonso, C.,Malfois, M.,Meijer, W.J.J.,Boer, D.R. Inactivation of the dimeric RappLS20 anti-repressor of the conjugation operon is mediated by peptide-induced tetramerization. Nucleic Acids Res. 2020 48 8113 8127 6Y4R 32571965 Cytoplasmic domain of TssL from Acinetobacter baumannii 2020-02-22 2020-07-01 Ruiz, F.M.,Lopez, J.,Ferrara, C.G.,Santillana, E.,Espinosa, Y.R.,Feldman, M.F.,Romero, A. Structural Characterization of TssL from Acinetobacter baumannii: a Key Component of the Type VI Secretion System. J.Bacteriol. 2020 202 0 0 6S3Y CBDP35 SeMet structure 2019-06-26 2020-07-15 Hermoso, J.A.,Bartual, S.G. CBDP35 SeMet structure To Be Published 0 0 0 0 6S67 33137097 Structure of the Fluorescent Protein AausFP1 from Aequorea cf. australis at pH 7.0 2019-07-02 2020-07-22 Lambert, G.G.,Depernet, H.,Gotthard, G.,Schultz, D.T.,Navizet, I.,Lambert, T.,Adams, S.R.,Torreblanca-Zanca, A.,Chu, M.,Bindels, D.S.,Levesque, V.,Nero Moffatt, J.,Salih, A.,Royant, A.,Shaner, N.C. Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing. Plos Biol. 2020 18 0 0 6Z1H 33452262 Ancestral glycosidase (family 1) 2020-05-13 2020-07-22 Gamiz-Arco, G.,Gutierrez-Rus, L.I.,Risso, V.A.,Ibarra-Molero, B.,Hoshino, Y.,Petrovic, D.,Justicia, J.,Cuerva, J.M.,Romero-Rivera, A.,Seelig, B.,Gavira, J.A.,Kamerlin, S.C.L.,Gaucher, E.A.,Sanchez-Ruiz, J.M. Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun 2021 12 380 380 6Z1M 33452262 Structure of an Ancestral glycosidase (family 1) bound to heme 2020-05-14 2020-07-22 Gamiz-Arco, G.,Gutierrez-Rus, L.I.,Risso, V.A.,Ibarra-Molero, B.,Hoshino, Y.,Petrovic, D.,Justicia, J.,Cuerva, J.M.,Romero-Rivera, A.,Seelig, B.,Gavira, J.A.,Kamerlin, S.C.L.,Gaucher, E.A.,Sanchez-Ruiz, J.M. Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun 2021 12 380 380 6RIW 33283513 PfaC Keto synthase-Chain length factor 2019-04-25 2020-08-26 Santin, O.,Yuet, K.,Khosla, C.,Moncalian, G. Structure and Mechanism of the Ketosynthase-Chain Length Factor Didomain from a Prototypical Polyunsaturated Fatty Acid Synthase. Biochemistry 2020 59 4735 4743 6SE5 Y830A mutant from Mycoplasma genitalium P110 adhesin 2019-07-29 2020-08-26 Fita, I.,Aparicio, D. Mycoplasma genitalium complex To Be Published 0 0 0 0 6SE7 R600A mutant from Mycoplasma genitalium P110 Adhesin at 1.87 Angstroms resolution 2019-07-29 2020-08-26 Fita, I.,Aparicio, D. R600A mutant from Mycoplasma genitalium P110 Adhesin at 1.87 Angstroms resolution To Be Published 0 0 0 0 6ZMN 33510867 Crystal structure of the Smad3-Smad5 MH1 domain chimera bound to the GGCGC site 2020-07-03 2020-08-26 Ruiz, L.,Kaczmarska, Z.,Gomes, T.,Aragon, E.,Torner, C.,Freier, R.,Baginski, B.,Martin-Malpartida, P.,de Martin Garrido, N.,Marquez, J.A.,Cordeiro, T.N.,Pluta, R.,Macias, M.J. Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes. Comput Struct Biotechnol J 2021 19 632 646 6Z4W 32873757 FtsE structure from Streptococcus pneumoniae in complex with ADP (space group P 1) 2020-05-26 2020-09-02 Alcorlo, M.,Straume, D.,Lutkenhaus, J.,Havarstein, L.S.,Hermoso, J.A. Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae. Mbio 2020 11 0 0 6Z63 32873757 FtsE structure from Streptococus pneumoniae in complex with ADP at 1.57 A resolution (spacegroup P 21) 2020-05-27 2020-09-02 Alcorlo, M.,Straume, D.,Lutkenhaus, J.,Havarstein, L.S.,Hermoso, J.A. Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae. Mbio 2020 11 0 0 6Z67 32873757 FtsE structure of Streptococcus pneumoniae in complex with AMPPNP at 2.4 A resolution 2020-05-28 2020-09-02 Alcorlo, M.,Straume, D.,Lutkenhaus, J.,Havarstein, L.S.,Hermoso, J.A. Structural Characterization of the Essential Cell Division Protein FtsE and Its Interaction with FtsX in Streptococcus pneumoniae. Mbio 2020 11 0 0 6SYC 32876060 Crystal structure of the lysozyme in presence of bromophenol blue at pH 6.5 2019-09-27 2020-09-09 Plaza-Garrido, M.,Salinas-Garcia, M.C.,Alba-Elena, D.,Martinez, J.C.,Camara-Artigas, A. Lysozyme crystals dyed with bromophenol blue: where has the dye gone? Acta Crystallogr D Struct Biol 2020 76 845 856 6SYD 32876060 Crystal structure of the lysozyme in presence of bromophenol blue at pH 5.5 2019-09-27 2020-09-09 Plaza-Garrido, M.,Salinas-Garcia, M.C.,Alba-Elena, D.,Martinez, J.C.,Camara-Artigas, A. Lysozyme crystals dyed with bromophenol blue: where has the dye gone? Acta Crystallogr D Struct Biol 2020 76 845 856 6SYE 32876060 Crystal structure of orthorhombic lysozyme in presence of the dye bromophenol blue at pH 7.0 2019-09-27 2020-09-09 Plaza-Garrido, M.,Salinas-Garcia, M.C.,Alba-Elena, D.,Martinez, J.C.,Camara-Artigas, A. Lysozyme crystals dyed with bromophenol blue: where has the dye gone? Acta Crystallogr D Struct Biol 2020 76 845 856 6YCQ 32929017 Crystal structure of the DNA binding domain of Arabidopsis thaliana Auxin Response Factor 1 (AtARF1) in complex with High Affinity DNA 2020-03-18 2020-09-09 Freire-Rios, A.,Tanaka, K.,Crespo, I.,van der Wijk, E.,Sizentsova, Y.,Levitsky, V.,Lindhoud, S.,Fontana, M.,Hohlbein, J.,Boer, D.R.,Mironova, V.,Weijers, D. Architecture of DNA elements mediating ARF transcription factor binding and auxin-responsive gene expression in Arabidopsis . Proc.Natl.Acad.Sci.USA 2020 117 24557 24566 7A04 32977218 Structure of human CKa1 in complex with compound b 2020-08-06 2020-09-09 Serran-Aguilera, L.,Mariotto, E.,Rubbini, G.,Castro Navas, F.F.,Marco, C.,Carrasco-Jimenez, M.P.,Ballarotto, M.,Macchiarulo, A.,Hurtado-Guerrero, R.,Viola, G.,Lopez-Cara, L.C. Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur.J.Med.Chem. 2020 207 112797 112797 6TUR 32821917 human XPG, Apo1 form 2020-01-08 2020-09-16 Gonzalez-Corrochano, R.,Ruiz, F.M.,Taylor, N.M.I.,Huecas, S.,Drakulic, S.,Spinola-Amilibia, M.,Fernandez-Tornero, C. The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair. Nucleic Acids Res. 2020 48 9943 9958 6TUS 32821917 human XPG, Apo2 form 2020-01-08 2020-09-16 Gonzalez-Corrochano, R.,Ruiz, F.M.,Taylor, N.M.I.,Huecas, S.,Drakulic, S.,Spinola-Amilibia, M.,Fernandez-Tornero, C. The crystal structure of human XPG, the xeroderma pigmentosum group G endonuclease, provides insight into nucleotide excision DNA repair. Nucleic Acids Res. 2020 48 9943 9958 6YUG 33082260 Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P. 2020-04-27 2020-09-30 Chi, J.,Cova, M.,de Las Rivas, M.,Medina, A.,Borges, R.J.,Leivar, P.,Planas, A.,Uson, I.,Hurtado-Guerrero, R.,Izquierdo, L. Plasmodium falciparum Apicomplexan-Specific Glucosamine-6-Phosphate N -Acetyltransferase Is Key for Amino Sugar Metabolism and Asexual Blood Stage Development. Mbio 2020 11 0 0 6Z2P 32973204 Crystal structure of catalytic inactive OgpA from Akkermansia muciniphila in complex with an O-glycopeptide (glycodrosocin) substrate 2020-05-18 2020-09-30 Trastoy, B.,Naegeli, A.,Anso, I.,Sjogren, J.,Guerin, M.E. Structural basis of mammalian mucin processing by the human gut O-glycopeptidase OgpA from Akkermansia muciniphila. Nat Commun 2020 11 4844 4844 6S37 33021055 Ligand binding domain of the P. putida receptor PcaY_PP in complex with salicylic acid 2019-06-24 2020-10-21 Gavira, J.A.,Matilla, M.A.,Fernandez, M.,Krell, T. The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J. 2021 288 2294 2310 6S3B 33021055 Ligand binding domain of the P. putida receptor PcaY_PP in complex with benzoate 2019-06-24 2020-10-21 Gavira, J.A.,Matilla, M.A.,Fernandez, M.,Krell, T. The structural basis for signal promiscuity in a bacterial chemoreceptor. Febs J. 2021 288 2294 2310 6ZMU 33708404 Crystal structure of the germline-specific thioredoxin protein Deadhead (Thioredoxin-1) from Drospohila melanogaster, P43212 2020-07-03 2020-10-21 Freier, R.,Aragon, E.,Baginski, B.,Pluta, R.,Martin-Malpartida, P.,Ruiz, L.,Condeminas, M.,Gonzalez, C.,Macias, M.J. Structures of the germline-specific Deadhead and thioredoxin T proteins from Drosophila melanogaster reveal unique features among thioredoxins. Iucrj 2021 8 281 294 6RC9 33057023 P1 Mycoplasma pneumoniae 2019-04-11 2020-11-04 Vizarraga, D.,Kawamoto, A.,Matsumoto, U.,Illanes, R.,Perez-Luque, R.,Martin, J.,Mazzolini, R.,Bierge, P.,Pich, O.Q.,Espasa, M.,Sanfeliu, I.,Esperalba, J.,Fernandez-Huerta, M.,Scheffer, M.P.,Pinyol, J.,Frangakis, A.S.,Lluch-Senar, M.,Mori, S.,Shibayama, K.,Kenri, T.,Kato, T.,Namba, K.,Fita, I.,Miyata, M.,Aparicio, D. Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae. Nat Commun 2020 11 5188 5188 6RCC 33135669 Domain C P140 Mycoplasma genitalium 2019-04-11 2020-11-04 Vizarraga, D.,Perez-Luque, R.,Martin, J.,Fita, I.,Aparicio, D. Alternative conformation of the C-domain of the P140 protein from Mycoplasma genitalium. Acta Crystallogr.,Sect.F 2020 76 508 516 6RCD 33135669 Octamer C-Domain P140 Mycoplasma genitalium. 2019-04-11 2020-11-04 Vizarraga, D.,Perez-Luque, R.,Martin, J.,Fita, I.,Aparicio, D. Alternative conformation of the C-domain of the P140 protein from Mycoplasma genitalium. Acta Crystallogr.,Sect.F 2020 76 508 516 6RJ1 33057023 N-Domain P40/P90 Mycoplasma pneumoniae 2019-04-25 2020-11-04 Vizarraga, D.,Kawamoto, A.,Matsumoto, U.,Illanes, R.,Perez-Luque, R.,Martin, J.,Mazzolini, R.,Bierge, P.,Pich, O.Q.,Espasa, M.,Sanfeliu, I.,Esperalba, J.,Fernandez-Huerta, M.,Scheffer, M.P.,Pinyol, J.,Frangakis, A.S.,Lluch-Senar, M.,Mori, S.,Shibayama, K.,Kenri, T.,Kato, T.,Namba, K.,Fita, I.,Miyata, M.,Aparicio, D. Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae. Nat Commun 2020 11 5188 5188 6TE4 33096229 Structural insights into Pseudomonas aeruginosa Type six secretion system exported effector 8: Tse8 in complex with a peptide 2019-11-11 2020-11-04 Gonzalez-Magana, A.,Sainz-Polo, M.A.,Pretre, G.,Capuni, R.,Lucas, M.,Altuna, J.,Montanchez, I.,Fucini, P.,Albesa-Jove, D. Structural insights into Pseudomonas aeruginosaType six secretion system exported effector 8. J.Struct.Biol. 2020 212 107651 107651 6TKG 33096052 Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 12keV 2019-11-28 2020-11-04 Calisto, B.M.,Ripoll-Rozada, J.,Dowman, L.J.,Franck, C.,Agten, S.M.,Parker, B.L.,Veloso, R.C.,Vale, N.,Gomes, P.,de Sanctis, D.,Payne, R.J.,Pereira, P.J.B. Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol 2021 28 26 0 6TKL 33096052 Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin 2019-11-28 2020-11-04 Calisto, B.M.,Ripoll-Rozada, J.,Dowman, L.J.,Franck, C.,Agten, S.M.,Parker, B.L.,Veloso, R.C.,Vale, N.,Gomes, P.,de Sanctis, D.,Payne, R.J.,Pereira, P.J.B. Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol 2021 28 26 0 6TLZ 33057023 N-Domain P40/P90 Mycoplasma pneumoniae complexed with 3'SL 2019-12-03 2020-11-04 Vizarraga, D.,Kawamoto, A.,Matsumoto, U.,Illanes, R.,Perez-Luque, R.,Martin, J.,Mazzolini, R.,Bierge, P.,Pich, O.Q.,Espasa, M.,Sanfeliu, I.,Esperalba, J.,Fernandez-Huerta, M.,Scheffer, M.P.,Pinyol, J.,Frangakis, A.S.,Lluch-Senar, M.,Mori, S.,Shibayama, K.,Kenri, T.,Kato, T.,Namba, K.,Fita, I.,Miyata, M.,Aparicio, D. Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae. Nat Commun 2020 11 5188 5188 6TM0 33057023 N-Domain P40/P90 Mycoplasma pneumoniae complexed with 6'SL 2019-12-03 2020-11-04 Vizarraga, D.,Kawamoto, A.,Matsumoto, U.,Illanes, R.,Perez-Luque, R.,Martin, J.,Mazzolini, R.,Bierge, P.,Pich, O.Q.,Espasa, M.,Sanfeliu, I.,Esperalba, J.,Fernandez-Huerta, M.,Scheffer, M.P.,Pinyol, J.,Frangakis, A.S.,Lluch-Senar, M.,Mori, S.,Shibayama, K.,Kenri, T.,Kato, T.,Namba, K.,Fita, I.,Miyata, M.,Aparicio, D. Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae. Nat Commun 2020 11 5188 5188 6T95 36332553 Trypanothione Reductase from Leismania infantum in complex with 4a 2019-10-25 2020-11-18 de Lucio, H.,Revuelto, A.,Carriles, A.A.,de Castro, S.,Garcia-Gonzalez, S.,Garcia-Soriano, J.C.,Alcon-Calderon, M.,Sanchez-Murcia, P.A.,Hermoso, J.A.,Gago, F.,Camarasa, M.J.,Jimenez-Ruiz, A.,Velazquez, S. Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity. Eur.J.Med.Chem. 2022 244 114878 114878 6T97 Trypanothione Reductase from Leismania infantum in complex with TRL190 2019-10-26 2020-11-18 Revuelto, A.,de Lucio, H.,Carriles, A.,Garcia Soriano, J.C.,Sanchez-Murcia, P.A.,Hermoso, J.A.,Gago, F.,Camarasa, M.J.,Jimenez-Ruiz, A.,Velazquez, S. Scaffold hopping identifies new triazole-and triazolium-based inhibitors of Leishmania infantum Trypanothione Reductase with potent and selective antileishmanial activity To Be Published 0 0 0 0 6T98 36332553 Trypanothione Reductase from Leishmania infantum in complex with 9a 2019-10-26 2020-11-18 de Lucio, H.,Revuelto, A.,Carriles, A.A.,de Castro, S.,Garcia-Gonzalez, S.,Garcia-Soriano, J.C.,Alcon-Calderon, M.,Sanchez-Murcia, P.A.,Hermoso, J.A.,Gago, F.,Camarasa, M.J.,Jimenez-Ruiz, A.,Velazquez, S. Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity. Eur.J.Med.Chem. 2022 244 114878 114878 6TAI Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase with an empty active site at 1.55 Angstrom resolution 2019-10-29 2020-11-18 Roca, M.,Navas-Yuste, S.,Zinovjev, K.,Lopez-Estepa, M.,Gomez, S.,Fernandez, F.J.,Vega, M.C.,Tunon, I. Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations Acs Catalysis 2020 10 1871 1885 6TAJ Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid 1.60 Angstrom resolution 2019-10-29 2020-11-18 Roca, M.,Navas-Yuste, S.,Zinovjev, K.,Lopez-Estepa, M.,Gomez, S.,Fernandez, F.J.,Vega, M.C.,Tunon, I. Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations Acs Catalysis 2020 10 1871 1885 6TAK Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid and Sulfate at 1.25 Angstrom resolution 2019-10-29 2020-11-25 Roca, M.,Navas-Yuste, S.,Zinovjev, K.,Lopez-Estepa, M.,Gomez, S.,Fernandez, F.J.,Vega, M.C.,Tunon, I. Elucidating the Catalytic Reaction Mechanism of Orotate Phosphoribosyltransferase by Means of X-ray Crystallography and Computational Simulations Acs Catalysis 2020 10 0 0 6YI9 33334880 Crystal structure of the rat cytosolic PCK1, acetylated on Lys244 2020-04-01 2020-12-23 Latorre-Muro, P.,Baeza, J.,Hurtado-Guerrero, R.,Hicks, T.,Delso, I.,Hernandez-Ruiz, C.,Velazquez-Campoy, A.,Lawton, A.J.,Angulo, J.,Denu, J.M.,Carrodeguas, J.A. Self-acetylation at the active site of phosphoenolpyruvate carboxykinase (PCK1) controls enzyme activity. J.Biol.Chem. 2021 296 100205 100205 6Z23 33257320 Acylenzyme complex of cefotaxime bound to deacylation mutant KPC-2 (E166Q) 2020-05-14 2020-12-23 Tooke, C.L.,Hinchliffe, P.,Bonomo, R.A.,Schofield, C.J.,Mulholland, A.J.,Spencer, J. Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance. J.Biol.Chem. 2020 296 100126 100126 6Z6Y 33409472 Galectin-8 N-terminal domain in complex with a sulfatide mimicking a sphingolipid 2020-05-29 2020-12-30 Murphy, P.V.,Romero, A.,Xiao, Q.,Ludwig, A.K.,Jogula, S.,Shilova, N.V.,Singh, T.,Gabba, A.,Javed, B.,Zhang, D.,Medrano, F.J.,Kaltner, H.,Kopitz, J.,Bovin, N.V.,Wu, A.M.,Klein, M.L.,Percec, V.,Gabius, H.J. Probing sulfatide-tissue lectin recognition with functionalized glycodendrimersomes. Iscience 2021 24 101919 101919 6SXP 33306346 STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) 2019-09-26 2021-01-20 Giunta, C.I.,Cea-Rama, I.,Alonso, S.,Briand, M.L.,Bargiela, R.,Coscolin, C.,Corvini, P.F.,Ferrer, M.,Sanz-Aparicio, J.,Shahgaldian, P. Tuning the Properties of Natural Promiscuous Enzymes by Engineering Their Nano-environment. 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Sci Adv 2021 7 0 0 7AUR 33893105 Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with AMP-PNP 2020-11-03 2021-05-19 Marquez-Monino, M.A.,Ortega-Garcia, R.,Shipton, M.L.,Franco-Echevarria, E.,Riley, A.M.,Sanz-Aparicio, J.,Potter, B.V.L.,Gonzalez, B. Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv 2021 7 0 0 7AUS 33893105 Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with P15 2020-11-03 2021-05-19 Marquez-Monino, M.A.,Ortega-Garcia, R.,Shipton, M.L.,Franco-Echevarria, E.,Riley, A.M.,Sanz-Aparicio, J.,Potter, B.V.L.,Gonzalez, B. Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv 2021 7 0 0 7AUT 33893105 Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 mutation K63A 2020-11-03 2021-05-19 Marquez-Monino, M.A.,Ortega-Garcia, R.,Shipton, M.L.,Franco-Echevarria, E.,Riley, A.M.,Sanz-Aparicio, J.,Potter, B.V.L.,Gonzalez, B. Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv 2021 7 0 0 7AUU 33893105 Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1-nose mutant in complex with InsP6 2020-11-03 2021-05-19 Marquez-Monino, M.A.,Ortega-Garcia, R.,Shipton, M.L.,Franco-Echevarria, E.,Riley, A.M.,Sanz-Aparicio, J.,Potter, B.V.L.,Gonzalez, B. Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv 2021 7 0 0 6Z64 33105870 Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative 2020-05-27 2021-05-26 Clement, D.A.,Leseigneur, C.,Gelin, M.,Coelho, D.,Huteau, V.,Lionne, C.,Labesse, G.,Dussurget, O.,Pochet, S. New Chemical Probe Targeting Bacterial NAD Kinase. Molecules 2020 25 0 0 6Z3S 34194677 Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with O-Acetylserine 2020-05-21 2021-06-02 Fernandez-Rodriguez, C.,Oyenarte, I.,Conter, C.,Gonzalez-Recio, I.,Nunez-Franco, R.,Gil-Pitarch, C.,Quintana, I.,Jimenez-Oses, G.,Dominici, P.,Martinez-Chantar, M.L.,Astegno, A.,Martinez-Cruz, L.A. Structural insight into the unique conformation of cystathionine beta-synthase from Toxoplasma gondii . Comput Struct Biotechnol J 2021 19 3542 3555 7NET 34076598 Crystal structure of the v-Src SH3 domain W95R-I96T mutant 2021-02-04 2021-06-02 Salinas-Garcia, M.C.,Plaza-Garrido, M.,Camara-Artigas, A. The impact of oncogenic mutations of the viral Src kinase on the structure and stability of the SH3 domain. Acta Crystallogr D Struct Biol 2021 77 854 866 6Z7H 35612361 Structure of CTX-M-15 E166Q mutant crystallised in the presence of enmetazobactam (AAI101) 2020-05-31 2021-06-09 Hinchliffe, P.,Tooke, C.L.,Bethel, C.R.,Wang, B.,Arthur, C.,Heesom, K.J.,Shapiro, S.,Schlatzer, D.M.,Papp-Wallace, K.M.,Bonomo, R.A.,Spencer, J. Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition. Mbio 2022 0 0 0 6Z7J 35612361 Structure of CTX-M-15 crystallised in the presence of enmetazobactam (AAI101) 2020-05-31 2021-06-09 Hinchliffe, P.,Tooke, C.L.,Bethel, C.R.,Wang, B.,Arthur, C.,Heesom, K.J.,Shapiro, S.,Schlatzer, D.M.,Papp-Wallace, K.M.,Bonomo, R.A.,Spencer, J. 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Front Mol Biosci 2022 9 964717 964717 7BAY Crystal structure of CbpF from Streptococcus pneumoniae complexed with a Ytterbium derivative 2020-12-16 2021-07-21 Prieto-Castaneda, A.,Martinez-Caballero, S.,Agarrabeitia, A.R.,Garcia-Moreno, I.,Moya, S.D.L.,Ortiz, M.J.,Hermoso, J.A. First Lanthanide Complex for De Novo Phasing in Native Protein Crystallography at 1 angstrom Radiation Acs Appl Bio Mater 2021 4 4575 4581 7P35 36336176 Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir 2021-07-07 2021-07-21 Fabrega-Ferrer, M.,Herrera-Morande, A.,Muriel-Goni, S.,Perez-Saavedra, J.,Bueno, P.,Castro, V.,Garaigorta, U.,Gastaminza, P.,Coll, M. Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404. Antiviral Res. 2022 208 105458 105458 6YD1 33908781 SaFtsZ-DFMBA 2020-03-20 2021-07-28 Huecas, S.,Araujo-Bazan, L.,Ruiz, F.M.,Ruiz-Avila, L.B.,Martinez, R.F.,Escobar-Pena, A.,Artola, M.,Vazquez-Villa, H.,Martin-Fontecha, M.,Fernandez-Tornero, C.,Lopez-Rodriguez, M.L.,Andreu, J.M. Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery. J.Med.Chem. 2021 64 5730 5745 6YD5 33908781 SaFtsZ-UCM151 (comp. 18) 2020-03-20 2021-07-28 Huecas, S.,Araujo-Bazan, L.,Ruiz, F.M.,Ruiz-Avila, L.B.,Martinez, R.F.,Escobar-Pena, A.,Artola, M.,Vazquez-Villa, H.,Martin-Fontecha, M.,Fernandez-Tornero, C.,Lopez-Rodriguez, M.L.,Andreu, J.M. Targeting the FtsZ Allosteric Binding Site with a Novel Fluorescence Polarization Screen, Cytological and Structural Approaches for Antibacterial Discovery. 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Comput Struct Biotechnol J 2021 19 3542 3555 7OM2 34203380 Thosea asigna virus RdRP domain in complex with Mg+2 2021-05-21 2021-07-28 Ferrero, D.S.,Falqui, M.,Verdaguer, N. Snapshots of a Non-Canonical RdRP in Action. Viruses 2021 13 0 0 7OM6 34203380 Thosea asigna virus RdRP domain in complex with RNA 2021-05-21 2021-07-28 Ferrero, D.S.,Falqui, M.,Verdaguer, N. Snapshots of a Non-Canonical RdRP in Action. Viruses 2021 13 0 0 7OM9 34203380 Thosea asigna virus RdRP domain 2021-05-21 2021-07-28 Ferrero, D.S.,Falqui, M.,Verdaguer, N. Snapshots of a Non-Canonical RdRP in Action. Viruses 2021 13 0 0 6ZUC 36897942 X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-Lig1-HAB1 TERNARY COMPLEX 2020-07-22 2021-08-04 Lozano-Juste, J.,Infantes, L.,Garcia-Maquilon, I.,Ruiz-Partida, R.,Merilo, E.,Benavente, J.L.,Velazquez-Campoy, A.,Coego, A.,Bono, M.,Forment, J.,Pampin, B.,Destito, P.,Monteiro, A.,Rodriguez, R.,Cruces, J.,Rodriguez, P.L.,Albert, A. Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv 2023 9 0 0 7AOS 33647291 crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator 2020-10-15 2021-08-04 Senicourt, L.,le Maire, A.,Allemand, F.,Carvalho, J.E.,Guee, L.,Germain, P.,Schubert, M.,Bernado, P.,Bourguet, W.,Sibille, N. Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). J.Mol.Biol. 2021 433 166899 166899 7BK4 33647291 Crystal structure of RXRalpha ligand binding domain in complex with a fragment of the TIF2 coactivator 2021-01-15 2021-08-04 Senicourt, L.,le Maire, A.,Allemand, F.,Carvalho, J.E.,Guee, L.,Germain, P.,Schubert, M.,Bernado, P.,Bourguet, W.,Sibille, N. Structural Insights into the Interaction of the Intrinsically Disordered Co-activator TIF2 with Retinoic Acid Receptor Heterodimer (RXR/RAR). J.Mol.Biol. 2021 433 166899 166899 7EKB 34505005 Crystal structure of 4E10 modified with pyrene acetamide 2021-04-05 2021-08-11 Rujas, E.,Leaman, D.P.,Insausti, S.,Carravilla, P.,Garcia-Porras, M.,Largo, E.,Morillo, I.,Sanchez-Eugenia, R.,Zhang, L.,Cui, H.,Iloro, I.,Elortza, F.,Julien, J.P.,Eggeling, C.,Zwick, M.B.,Caaveiro, J.M.M.,Nieva, J.L. Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile. Iscience 2021 24 102987 102987 7EKK 34505005 Anti-HIV-1 broadly neutralizing antibody delta-loop 4E10 modified with pyrene acetamide 2021-04-05 2021-08-11 Rujas, E.,Leaman, D.P.,Insausti, S.,Carravilla, P.,Garcia-Porras, M.,Largo, E.,Morillo, I.,Sanchez-Eugenia, R.,Zhang, L.,Cui, H.,Iloro, I.,Elortza, F.,Julien, J.P.,Eggeling, C.,Zwick, M.B.,Caaveiro, J.M.M.,Nieva, J.L. Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile. Iscience 2021 24 102987 102987 7AS6 34408000 2.0 angstrom structure of plant Extended Synaptotagmin 1, C2A domain 2020-10-27 2021-08-18 Benavente, J.L.,Siliqi, D.,Infantes, L.,Lagartera, L.,Mills, A.,Gago, F.,Ruiz-Lopez, N.,Botella, M.A.,Sanchez-Barrena, M.J.,Albert, A. The structure and flexibility analysis of the Arabidopsis synaptotagmin 1 reveal the basis of its regulation at membrane contact sites. Life Sci Alliance 2021 4 0 0 7ATP 34408000 2.0 angstrom structure in complex with Ca of plant Extended Synaptotagmin 1, C2A domain 2020-10-30 2021-08-18 Benavente, J.L.,Siliqi, D.,Infantes, L.,Lagartera, L.,Mills, A.,Gago, F.,Ruiz-Lopez, N.,Botella, M.A.,Sanchez-Barrena, M.J.,Albert, A. The structure and flexibility analysis of the Arabidopsis synaptotagmin 1 reveal the basis of its regulation at membrane contact sites. Life Sci Alliance 2021 4 0 0 7A2J Crystal structure of the Fyn SH3 domain in space group C21 at pH 7.5 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain in space group C21 at pH 7.5 To be published 0 0 0 0 7A2K Crystal structure of the Fyn SH3 domain in space group P1 at pH 7.5 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain in space group P1 at pH 7.5 To be published 0 0 0 0 7A2O Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 4.5 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 4.5 To be published 0 0 0 0 7A2P Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 5.0 with PEG 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 5.0 with PEG To be published 0 0 0 0 7A2Q Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 3.0 with PEG 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant at pH 3.0 with PEG To be published 0 0 0 0 7A2U Crystal structure of the Fyn SH3 domain L112V-S114N-S115T at pH 4.5 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain L112V-S114N-S115T at pH 4.5 To be published 0 0 0 0 7A2V Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E129Q at pH 4.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E129Q at pH 4.0 To be published 0 0 0 0 7A2W Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 3.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 3.0 To be published 0 0 0 0 7A2X Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 5.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 5.0 To be published 0 0 0 0 7A2Y Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 4.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 4.0 To be published 0 0 0 0 7A2Z Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 6.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain L112V-S114N-S115T-E121L-R123H mutant in complex with VSL12 at pH 6.0 To be published 0 0 0 0 7A31 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 4.5 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 4.5 To be published 0 0 0 0 7A32 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 7.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 7.0 To be published 0 0 0 0 7A33 Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the c-Src SH3 domain mutant S94A-T98D-V111L-N113S-T114S at pH 3.0 To be published 0 0 0 0 7A34 Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S To be published 0 0 0 0 7A38 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0 To be published 0 0 0 0 7A39 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 7.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 7.0 To be published 0 0 0 0 7A3A Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Intertwined dimer of the c-Src SH3 domain mutant V111L-N113S-T114S-Q128E at pH 6.0 To be published 0 0 0 0 7A3B Intertwined dimer of the c-Src SH3 domain mutant E106D 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Intertwined dimer of the c-Src SH3 domain mutant E106D To be published 0 0 0 0 7A3C Crystal structure of the c-Src SH3 domain mutant L100I at pH 3.0 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the c-Src SH3 domain mutant L100I at pH 3.0 To be published 0 0 0 0 7A3D Intertwined dimer of the c-Src SH3 domain mutant T125S 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Intertwined dimer of the c-Src SH3 domain mutant T125S To be published 0 0 0 0 7A3E Intertwined dimer of the c-Src SH3 domain mutant T126S 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Intertwined dimer of the c-Src SH3 domain mutant T126S To be published 0 0 0 0 7PDC 33060695 The structure of the human tetrameric LL-37 peptide in a channel conformation 2021-08-05 2021-09-08 Sancho-Vaello, E.,Gil-Carton, D.,Francois, P.,Bonetti, E.J.,Kreir, M.,Pothula, K.R.,Kleinekathofer, U.,Zeth, K. 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The X-ray Structure of L,D-transpeptidase LdtA from Vibrio cholerae in complex with NAG-NAM(tetrapeptide) To Be Published 0 0 0 0 7PHX 34596182 Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable sulfotyrosine analogue 2021-08-18 2021-10-06 Dowman, L.J.,Agten, S.M.,Ripoll-Rozada, J.,Calisto, B.M.,Pereira, P.J.B.,Payne, R.J. Synthesis and evaluation of peptidic thrombin inhibitors bearing acid-stable sulfotyrosine analogues. Chem.Commun.(Camb.) 2021 57 10923 10926 7AL8 Structure of ATSI with bovine trypsin 2020-10-05 2021-10-13 Reverter, D.,Covaleda, G. Structure of ATSI with bovine trypsin To Be Published 0 0 0 0 7OO5 34573078 Crystal structure of the lignin peroxidase (ApeLiP) from Agrocybe pediades 2021-05-26 2021-10-13 Sanchez-Ruiz, M.I.,Ayuso-Fernandez, I.,Rencoret, J.,Gonzalez-Ramirez, A.M.,Linde, D.,Davo-Siguero, I.,Romero, A.,Gutierrez, A.,Martinez, A.T.,Ruiz-Duenas, F.J. 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Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism Comput Struct Biotechnol J 2021 19 5466 5478 7AKQ Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitintetraose obtained by soaking. 2020-10-01 2021-10-20 Jimenez-Ortega, E.,Kidibule, P.E.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Structural inspection and protein motions modelling of a fungal glycoside hydrolase family 18 chitinase by crystallography depicts a dynamic enzymatic mechanism Comput Struct Biotechnol J 2021 19 5466 5478 7PKX 34639208 Crystal structure of a DyP-type peroxidase from Bacillus subtilis in P3121 space group 2021-08-27 2021-10-27 Rodrigues, C.F.,Borges, P.T.,Scocozza, M.F.,Silva, D.,Taborda, A.,Brissos, V.,Frazao, C.,Martins, L.O. Loops around the Heme Pocket Have a Critical Role in the Function and Stability of Bs DyP from Bacillus subtilis . 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Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery. Comput Struct Biotechnol J 2021 19 5392 5405 7O4C 34667534 Crystal structure of PASTA domains of the Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus 2021-04-05 2021-11-03 Martinez-Caballero, S.,Mahasenan, K.V.,Kim, C.,Molina, R.,Feltzer, R.,Lee, M.,Bouley, R.,Hesek, D.,Fisher, J.F.,Munoz, I.G.,Chang, M.,Mobashery, S.,Hermoso, J.A. Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery. Comput Struct Biotechnol J 2021 19 5392 5405 7OK9 34667534 Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with pentaglycine 2021-05-17 2021-11-03 Martinez-Caballero, S.,Mahasenan, K.V.,Kim, C.,Molina, R.,Feltzer, R.,Lee, M.,Bouley, R.,Hesek, D.,Fisher, J.F.,Munoz, I.G.,Chang, M.,Mobashery, S.,Hermoso, J.A. 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Nat Commun 2021 12 7013 7013 7BCB 36370103 Crystal structure of the HTH DNA binding protein ArdK from R388 plasmid bound to IR3 DNA 2020-12-19 2022-01-12 Fernandez-Lopez, R.,Ruiz, R.,Del Campo, I.,Gonzalez-Montes, L.,Boer, D.R.,de la Cruz, F.,Moncalian, G. Structural basis of direct and inverted DNA sequence repeat recognition by helix-turn-helix transcription factors. Nucleic Acids Res. 2022 50 11938 11947 7BE8 35807291 Escherichia coli YtfE (Mn) 2020-12-22 2022-01-12 Silva, L.S.O.,Matias, P.M.,Romao, C.V.,Saraiva, L.M. Repair of Iron Center Proteins-A Different Class of Hemerythrin-like Proteins. Molecules 2022 27 0 0 7BFM 35224382 Structure of the M198F M298F double mutant of the Streptomyces coelicolor small laccase T1 copper site 2021-01-04 2022-01-12 Zovo, K.,Pupart, H.,Van Wieren, A.,Gillilan, R.E.,Huang, Q.,Majumdar, S.,Lukk, T. 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J.Med.Chem. 2022 65 838 856 7NUY New polymorhp of proteinase K obtained by free interface diffusion technique 2021-03-15 2022-01-19 Artusio, F.,Castellvi, A.,Pisano, R.,Gavira, J.A. Tuning Transport Phenomena in Agarose Gels for the Control of Protein Nucleation Density and Crystal Form Crystals 2021 0 0 0 7NUZ Proteinase K structure at atomic resolution from crystals grown in agarose gel 2021-03-15 2022-01-19 Artusio, F.,Castellvi, A.,Pisano, R.,Gavira, J.A. Tuning Transport Phenomena in Agarose Gels for the Control of Protein Nucleation Density and Crystal Form Crystals 2021 0 0 0 7SKL Complex between S. aureus aureolysin and IMPI mutant I57I 2021-10-21 2022-01-26 Mendes, S.R.,Eckhard, U.,Rodriguez-Banqueri, A.,Guevara, T.,Czermak, P.,Marcos, E.,Vilcinskas, A. 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Acs Omega 2022 7 6184 6194 7Q4S 35362467 Structure of the Pseudomonas aeruginosa bacteriophage JG004 endolysin Pae87, apo form. 2021-11-02 2022-02-23 Vazquez, R.,Seoane-Blanco, M.,Rivero-Buceta, V.,Ruiz, S.,van Raaij, M.J.,Garcia, P. Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain. Acta Crystallogr D Struct Biol 2022 78 435 454 7Q4T 35362467 Structure of the Pseudomonas aeruginosa bacteriophage JG004 endolysin Pae87 bound to a peptidoglycan fragment. 2021-11-02 2022-02-23 Vazquez, R.,Seoane-Blanco, M.,Rivero-Buceta, V.,Ruiz, S.,van Raaij, M.J.,Garcia, P. Monomodular Pseudomonas aeruginosa phage JG004 lysozyme (Pae87) contains a bacterial surface-active antimicrobial peptide-like region and a possible substrate-binding subdomain. Acta Crystallogr D Struct Biol 2022 78 435 454 7NEK SusD protein from human gut uncultured Bacteroides 2021-02-04 2022-03-02 Cioci, C. SusD protein from human gut uncultured Bacteroides To Be Published 0 0 0 0 7NL1 36883335 Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii 2021-02-22 2022-03-02 Fernandez-Rodriguez, C.,Conter, C.,Oyenarte, I.,Favretto, F.,Quintana, I.,Martinez-Chantar, M.L.,Astegno, A.,Martinez-Cruz, L.A. Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci. 2023 32 0 0 7OHH 35312677 SaFtsZ complexed with GDP and BeF3- 2021-05-11 2022-03-02 Ruiz, F.M.,Huecas, S.,Santos-Aledo, A.,Prim, E.A.,Andreu, J.M.,Fernandez-Tornero, C. FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. 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Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms. Acs Cent.Sci. 2022 8 1383 1392 7QXD 36313161 Recognition of Staphylococcus aureus wall teichoic acid analogue SA475 (compound 2) by Fab4497 2022-01-26 2022-08-31 Di Carluccio, C.,Soriano-Maldonado, P.,Berni, F.,de Haas, C.J.C.,Temming, A.R.,Hendriks, A.,Ali, S.,Molinaro, A.,Silipo, A.,van Sorge, N.M.,van Raaij, M.J.,Codee, J.D.C.,Marchetti, R. Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms. Acs Cent.Sci. 2022 8 1383 1392 7QXE 36313161 Recognition of Staphylococcus aureus wall teichoic acid analogue TB87 (compound 3) by Fab4497 2022-01-26 2022-08-31 Di Carluccio, C.,Soriano-Maldonado, P.,Berni, F.,de Haas, C.J.C.,Temming, A.R.,Hendriks, A.,Ali, S.,Molinaro, A.,Silipo, A.,van Sorge, N.M.,van Raaij, M.J.,Codee, J.D.C.,Marchetti, R. Antibody Recognition of Different Staphylococcus aureus Wall Teichoic Acid Glycoforms. Acs Cent.Sci. 2022 8 1383 1392 7ZY9 35886948 Structure of D165A/D167A double mutant of Chit33 from Trichoderma harzianum complexed with chitintetraose. 2022-05-24 2022-08-31 Jimenez-Ortega, E.,Kidibule, P.E.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material. Int J Mol Sci 2022 23 0 0 7ZYA 35886948 Structure of Chit33 from Trichoderma harzianum. 2022-05-24 2022-08-31 Jimenez-Ortega, E.,Kidibule, P.E.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material. Int J Mol Sci 2022 23 0 0 7PJ3 37418323 Crystal structure of catalytic domain in open conformation of LytB from Streptococcus pneumoniae 2021-08-23 2022-09-07 Martinez-Caballero, S.,Freton, C.,Molina, R.,Bartual, S.G.,Gueguen-Chaignon, V.,Mercy, C.,Gago, F.,Mahasenan, K.V.,Munoz, I.G.,Lee, M.,Hesek, D.,Mobashery, S.,Hermoso, J.A.,Grangeasse, C. Molecular basis of the final step of cell division in Streptococcus pneumoniae. Cell Rep 2023 42 112756 112756 7PJ4 37418323 Crystal structure of catalytic domain in closed conformation of LytB (E585Q)from Streptococcus pneumoniae 2021-08-23 2022-09-07 Martinez-Caballero, S.,Freton, C.,Molina, R.,Bartual, S.G.,Gueguen-Chaignon, V.,Mercy, C.,Gago, F.,Mahasenan, K.V.,Munoz, I.G.,Lee, M.,Hesek, D.,Mobashery, S.,Hermoso, J.A.,Grangeasse, C. Molecular basis of the final step of cell division in Streptococcus pneumoniae. Cell Rep 2023 42 112756 112756 7PJ5 37418323 Crystal structure of catalytic domain of LytB from Streptococcus pneumoniae in complex with NAG-NAG-NAG-NAG tetrasaccharide 2021-08-23 2022-09-07 Martinez-Caballero, S.,Freton, C.,Molina, R.,Bartual, S.G.,Gueguen-Chaignon, V.,Mercy, C.,Gago, F.,Mahasenan, K.V.,Munoz, I.G.,Lee, M.,Hesek, D.,Mobashery, S.,Hermoso, J.A.,Grangeasse, C. Molecular basis of the final step of cell division in Streptococcus pneumoniae. Cell Rep 2023 42 112756 112756 7PJ6 37418323 Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM-NAG peptidolycan analogue 2021-08-23 2022-09-07 Martinez-Caballero, S.,Freton, C.,Molina, R.,Bartual, S.G.,Gueguen-Chaignon, V.,Mercy, C.,Gago, F.,Mahasenan, K.V.,Munoz, I.G.,Lee, M.,Hesek, D.,Mobashery, S.,Hermoso, J.A.,Grangeasse, C. Molecular basis of the final step of cell division in Streptococcus pneumoniae. Cell Rep 2023 42 112756 112756 7PL2 37418323 Crystal structure of choline-binding module of LytB from Streptococcus pneumoniae 2021-08-28 2022-09-07 Martinez-Caballero, S.,Freton, C.,Molina, R.,Bartual, S.G.,Gueguen-Chaignon, V.,Mercy, C.,Gago, F.,Mahasenan, K.V.,Munoz, I.G.,Lee, M.,Hesek, D.,Mobashery, S.,Hermoso, J.A.,Grangeasse, C. Molecular basis of the final step of cell division in Streptococcus pneumoniae. Cell Rep 2023 42 112756 112756 7PL3 37418323 Crystal structure of catalytic domain in closed conformation of LytB from Streptococcus pneumoniae 2021-08-28 2022-09-07 Martinez-Caballero, S.,Freton, C.,Molina, R.,Bartual, S.G.,Gueguen-Chaignon, V.,Mercy, C.,Gago, F.,Mahasenan, K.V.,Munoz, I.G.,Lee, M.,Hesek, D.,Mobashery, S.,Hermoso, J.A.,Grangeasse, C. Molecular basis of the final step of cell division in Streptococcus pneumoniae. Cell Rep 2023 42 112756 112756 7PL5 37418323 Crystal structure of choline-binding module (R1-R9) of LytB from Streptococcus pneumoniae 2021-08-28 2022-09-07 Martinez-Caballero, S.,Freton, C.,Molina, R.,Bartual, S.G.,Gueguen-Chaignon, V.,Mercy, C.,Gago, F.,Mahasenan, K.V.,Munoz, I.G.,Lee, M.,Hesek, D.,Mobashery, S.,Hermoso, J.A.,Grangeasse, C. Molecular basis of the final step of cell division in Streptococcus pneumoniae. Cell Rep 2023 42 112756 112756 7PMT Human Cyclophilin D in complex with N-[(5-ethyl-4-oxo-1,2,3,4,5,6- hexahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide 2021-09-02 2022-09-14 Silva, D.O.,Graedler, U. Human Cyclophilin D in complex with N-[(4-aminophenyl)methyl]-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide To Be Published 0 0 0 0 7POL 36173175 Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with flumequine 2021-09-09 2022-09-14 Jimenez-Alesanco, A.,Eckhard, U.,Asencio Del Rio, M.,Vega, S.,Guevara, T.,Velazquez-Campoy, A.,Gomis-Ruth, F.X.,Abian, O. Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis. Protein Sci. 2022 31 0 0 7POO 36173175 Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with foliosidine in P212121. 2021-09-09 2022-09-14 Jimenez-Alesanco, A.,Eckhard, U.,Asencio Del Rio, M.,Vega, S.,Guevara, T.,Velazquez-Campoy, A.,Gomis-Ruth, F.X.,Abian, O. Repositioning small molecule drugs as allosteric inhibitors of the BFT-3 toxin from enterotoxigenic Bacteroides fragilis. Protein Sci. 2022 31 0 0 7PVQ Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in the space group P21221 2021-10-05 2022-09-14 Camara-Artigas, A.,Salinas Garcia, M.C. The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published 0 0 0 0 7PVS Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E-G92N-Y93N-N94T-H95E mutant in presence of PEG 200 2021-10-05 2022-09-14 Camara-Artigas, A.,Salinas Garcia, M.C. The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published 0 0 0 0 7PVV Crystal structure of the Abl SH3 domain G92N-Y93N-N94T-H95E mutant 2021-10-05 2022-09-14 Camara-Artigas, A.,Salinas Garcia, M.C. The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published 0 0 0 0 7PVW Crystal structure of the intertwined dimer of the c-Src SH3 domain E93V-S94A-R95S-T96G-N112G-N113Y-T114N-E115H mutant 2021-10-05 2022-09-14 Camara-Artigas, A.,Salinas Garcia, M.C. The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published 0 0 0 0 7PVY Crystal structure of the c-Src SH3 domain E93V-S94A-R95S-T96G mutant 2021-10-05 2022-09-14 Camara-Artigas, A.,Salinas Garcia, M.C. The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published 0 0 0 0 7PW2 Crystal structure of the Abl SH3 domain V73E-A74S-S75R-G76T-D77E mutant 2021-10-05 2022-09-14 Camara-Artigas, A.,Salinas Garcia, M.C. The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published 0 0 0 0 7Q5D Structure of EPCR in a non-canonical conformation 2021-11-03 2022-09-14 Erausquin, E.,Rodriguez-Fernandez, A.,Lopez-Sagaseta, J. Structure of EPCR in a non-canonical conformation Biorxiv 2021 0 0 0 7POD 37418323 Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM tetrasaccharide 2021-09-08 2022-09-21 Martinez-Caballero, S.,Freton, C.,Molina, R.,Bartual, S.G.,Gueguen-Chaignon, V.,Mercy, C.,Gago, F.,Mahasenan, K.V.,Munoz, I.G.,Lee, M.,Hesek, D.,Mobashery, S.,Hermoso, J.A.,Grangeasse, C. Molecular basis of the final step of cell division in Streptococcus pneumoniae. Cell Rep 2023 42 112756 112756 7VIM The C-terminal DNA binding domain of EsrB from Edwardsiella piscicida 2021-09-27 2022-09-28 Liu, B.,Reverter, D.,Shao, S. The C-terminal DNA binding domain of EsrB from Edwardsiella piscicida To Be Published 0 0 0 0 7SKO De novo synthetic protein DIG8-CC (orthogonal space group) 2021-10-21 2022-10-12 Chidyausiku, T.M.,Mendes, S.R.,Klima, J.C.,Nadal, M.,Eckhard, U.,Roel-Touris, J.,Houliston, S.,Guevara, T.,Haddox, H.K.,Moyer, A.,Arrowsmith, C.H.,Gomis-Ruth, F.X.,Baker, D.,Marcos, E. De novo design of immunoglobulin-like domains Nat Commun 2022 13 5661 0 7SKP De novo synthetic protein DIG14 (tetragonal space group) 2021-10-21 2022-10-12 Chidyausiku, T.M.,Mendes, S.R.,Klima, J.C.,Nadal, M.,Eckhard, U.,Roel-Touris, J.,Houliston, S.,Guevara, T.,Haddox, H.K.,Moyer, A.,Arrowsmith, C.H.,Gomis-Ruth, F.X.,Baker, D.,Marcos, E. De novo design of immunoglobulin-like domains Nat Commun 2022 13 5661 0 7QHW 34978799 TTBK1 kinase domain in complex with inhibitor 29 2021-12-14 2022-10-26 Nozal, V.,Martinez-Gonzalez, L.,Gomez-Almeria, M.,Gonzalo-Consuegra, C.,Santana, P.,Chaikuad, A.,Perez-Cuevas, E.,Knapp, S.,Lietha, D.,Ramirez, D.,Petralla, S.,Monti, B.,Gil, C.,Martin-Requero, A.,Palomo, V.,de Lago, E.,Martinez, A. TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy. J.Med.Chem. 2022 65 1585 1607 8AY1 36260536 Crystal structure of the C. elegans POFUT2 (CePoFUT2) triple mutant (R298K-R299K-A418C) in complex with the Rattus norvegicus TSR4 single mutant (E10C) from F-spondin 2022-09-01 2022-10-26 Sanz-Martinez, I.,Garcia-Garcia, A.,Tejero, T.,Hurtado-Guerrero, R.,Merino, P. The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2. Angew.Chem.Int.Ed.Engl. 2022 61 0 0 7ZR2 36220405 Crystal structure of a chimeric protein mimic of SARS-CoV-2 Spike HR1 in complex with HR2 2022-05-03 2022-11-09 Cano-Munoz, M.,Polo-Megias, D.,Camara-Artigas, A.,Gavira, J.A.,Lopez-Rodriguez, M.J.,Laumond, G.,Schmidt, S.,Demiselle, J.,Bahram, S.,Moog, C.,Conejero-Lara, F. Novel chimeric proteins mimicking SARS-CoV-2 spike epitopes with broad inhibitory activity. Int.J.Biol.Macromol. 2022 222 2467 2478 7PVZ Crystal structure of the intertwined dimer of the c-Src SH3 domain E93V-S94A-R95S-T96G mutant 2021-10-05 2022-11-16 Camara-Artigas, A.,Salinas Garcia, M.C. The effect of the hinge loops composition in the domain swapping of the SH3 domain To be published 0 0 0 0 7YZ7 36435807 Crystal structure of the zebrafish FoxH1 bound to the TGTGGATT site 2022-02-18 2022-11-16 Pluta, R.,Aragon, E.,Prescott, N.A.,Ruiz, L.,Mees, R.A.,Baginski, B.,Flood, J.R.,Martin-Malpartida, P.,Massague, J.,David, Y.,Macias, M.J. Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun 2022 13 7279 7279 7YZA 36435807 Crystal structure of the zebrafish FoxH1 bound to the TGTGTATT site 2022-02-19 2022-11-16 Pluta, R.,Aragon, E.,Prescott, N.A.,Ruiz, L.,Mees, R.A.,Baginski, B.,Flood, J.R.,Martin-Malpartida, P.,Massague, J.,David, Y.,Macias, M.J. Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun 2022 13 7279 7279 7YZB 36435807 Crystal structure of the human FoxH1 bound to the TGTGGATT site 2022-02-19 2022-11-16 Pluta, R.,Aragon, E.,Prescott, N.A.,Ruiz, L.,Mees, R.A.,Baginski, B.,Flood, J.R.,Martin-Malpartida, P.,Massague, J.,David, Y.,Macias, M.J. Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun 2022 13 7279 7279 7YZC 36435807 Crystal structure of the zebrafish FoxH1 bound to the TGTTTATT site 2022-02-19 2022-11-16 Pluta, R.,Aragon, E.,Prescott, N.A.,Ruiz, L.,Mees, R.A.,Baginski, B.,Flood, J.R.,Martin-Malpartida, P.,Massague, J.,David, Y.,Macias, M.J. Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun 2022 13 7279 7279 7YZD 36435807 Crystal structure of the zebrafish FoxH1 bound to the TGTTTACT site (fkh motif GTAAACA) 2022-02-19 2022-11-16 Pluta, R.,Aragon, E.,Prescott, N.A.,Ruiz, L.,Mees, R.A.,Baginski, B.,Flood, J.R.,Martin-Malpartida, P.,Massague, J.,David, Y.,Macias, M.J. Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun 2022 13 7279 7279 7YZE 36435807 Crystal structure of the human FoxA2 bound to the TGTTTACT site (forkhead motif GTAAACA) 2022-02-19 2022-11-16 Pluta, R.,Aragon, E.,Prescott, N.A.,Ruiz, L.,Mees, R.A.,Baginski, B.,Flood, J.R.,Martin-Malpartida, P.,Massague, J.,David, Y.,Macias, M.J. Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun 2022 13 7279 7279 7YZF 36435807 Crystal structure of the human FoxA2 bound to the TGTTTATT site (forkhead motif ATAAACA) 2022-02-19 2022-11-16 Pluta, R.,Aragon, E.,Prescott, N.A.,Ruiz, L.,Mees, R.A.,Baginski, B.,Flood, J.R.,Martin-Malpartida, P.,Massague, J.,David, Y.,Macias, M.J. Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun 2022 13 7279 7279 7YZG 36435807 Crystal structure of the Xenopus FoxH1 bound to the TGTGGATT site 2022-02-19 2022-11-16 Pluta, R.,Aragon, E.,Prescott, N.A.,Ruiz, L.,Mees, R.A.,Baginski, B.,Flood, J.R.,Martin-Malpartida, P.,Massague, J.,David, Y.,Macias, M.J. Molecular basis for DNA recognition by the maternal pioneer transcription factor FoxH1. Nat Commun 2022 13 7279 7279 8AHM 36281761 Crystal structure of tubulin in complex with C(13)/C(13')-Bis-Desmethyl-Disorazole Z 2022-07-22 2022-11-16 Bold, C.P.,Lucena-Agell, D.,Oliva, M.A.,Diaz, J.F.,Altmann, K.H. Synthesis and Biological Evaluation of C(13)/C(13')-Bis(desmethyl)disorazole Z. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 7QC5 36306808 Crystal structure of human wild type transthyretin in complex with (3,4-dihydroxy-5-nitrophenyl)-(3-fluoro-5-hydroxyphenyl)methanone compound 2021-11-22 2022-11-30 Pinheiro, F.,Pallares, I.,Peccati, F.,Sanchez-Morales, A.,Varejao, N.,Bezerra, F.,Ortega-Alarcon, D.,Gonzalez, D.,Osorio, M.,Navarro, S.,Velazquez-Campoy, A.,Almeida, M.R.,Reverter, D.,Busque, F.,Alibes, R.,Sodupe, M.,Ventura, S. Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation. J.Med.Chem. 2022 65 14673 14691 8HE6 Crystal structure of a fosfomycin and bleomycin resistant protein (ALL3014) from Anabaena/Nostoc cyanobacterium at 1.70 A resolution 2022-11-07 2022-11-30 Chatterjee, A.,Singh, P.K.,Singh, T.P.,Marina, A.,Sharma, S.,Rai, L.C. Crystal structure of a fosfomycin and bleomycin resistant protein (ALL3014) from Anabaena/Nostoc cyanobacterium at 1.70 A resolution To Be Published 0 0 0 0 7R2E 36334780 Structure of human Senp7 with SUMO2 2022-02-04 2022-12-07 Li, Y.,De Bolos, A.,Amador, V.,Reverter, D. Structural Basis for the SUMO2 Isoform Specificity of SENP7. J.Mol.Biol. 2022 434 167875 167875 7YXC 36464162 Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment 2022-02-15 2022-12-07 Jimenez-Panizo, A.,Alegre-Marti, A.,Tettey, T.T.,Fettweis, G.,Abella, M.,Anton, R.,Johnson, T.A.,Kim, S.,Schiltz, R.L.,Nunez-Barrios, I.,Font-Diaz, J.,Caelles, C.,Valledor, A.F.,Perez, P.,Rojas, A.M.,Fernandez-Recio, J.,Presman, D.M.,Hager, G.L.,Fuentes-Prior, P.,Estebanez-Perpina, E. The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res. 2022 50 13063 13082 7YXD 36464162 Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment 2022-02-15 2022-12-07 Jimenez-Panizo, A.,Alegre-Marti, A.,Tettey, T.T.,Fettweis, G.,Abella, M.,Anton, R.,Johnson, T.A.,Kim, S.,Schiltz, R.L.,Nunez-Barrios, I.,Font-Diaz, J.,Caelles, C.,Valledor, A.F.,Perez, P.,Rojas, A.M.,Fernandez-Recio, J.,Presman, D.M.,Hager, G.L.,Fuentes-Prior, P.,Estebanez-Perpina, E. The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res. 2022 50 13063 13082 7YXN 36464162 Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment 2022-02-16 2022-12-07 Jimenez-Panizo, A.,Alegre-Marti, A.,Tettey, T.T.,Fettweis, G.,Abella, M.,Anton, R.,Johnson, T.A.,Kim, S.,Schiltz, R.L.,Nunez-Barrios, I.,Font-Diaz, J.,Caelles, C.,Valledor, A.F.,Perez, P.,Rojas, A.M.,Fernandez-Recio, J.,Presman, D.M.,Hager, G.L.,Fuentes-Prior, P.,Estebanez-Perpina, E. The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. 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Nucleic Acids Res. 2022 50 13063 13082 7YXP 36464162 Crystal structure of WT AncGR2-LBD WT bound to dexamethasone and SHP coregulator fragment 2022-02-16 2022-12-07 Jimenez-Panizo, A.,Alegre-Marti, A.,Tettey, T.T.,Fettweis, G.,Abella, M.,Anton, R.,Johnson, T.A.,Kim, S.,Schiltz, R.L.,Nunez-Barrios, I.,Font-Diaz, J.,Caelles, C.,Valledor, A.F.,Perez, P.,Rojas, A.M.,Fernandez-Recio, J.,Presman, D.M.,Hager, G.L.,Fuentes-Prior, P.,Estebanez-Perpina, E. The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. 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Response regulator PorX coordinates oligonucleotide signalling and gene expression to control the secretion of virulence factors Nucleic Acids Res. 2022 50 12558 12577 7QEJ 36602305 Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-acetic acid (IAA). 2021-12-03 2022-12-14 Gavira, J.A.,Rico-Jimenez, M.,Ortega, A.,Petukhova, N.V.,Bug, D.S.,Castellvi, A.,Porozov, Y.B.,Zhulin, I.B.,Krell, T.,Matilla, M.A. Emergence of an Auxin Sensing Domain in Plant-Associated Bacteria. Mbio 2023 14 0 0 8B2N 36755705 Potempin A (PotA) from Tannerella forsythia in complex with the catalytic domain of human MMP-12 2022-09-14 2022-12-21 Ksiazek, M.,Goulas, T.,Mizgalska, D.,Rodriguez-Banqueri, A.,Eckhard, U.,Veillard, F.,Waligorska, I.,Benedyk-Machaczka, M.,Sochaj-Gregorczyk, A.M.,Madej, M.,Thogersen, I.B.,Enghild, J.J.,Cuppari, A.,Arolas, J.L.,de Diego, I.,Lopez-Pelegrin, M.,Garcia-Ferrer, I.,Guevara, T.,Dive, V.,Zani, M.L.,Moreau, T.,Potempa, J.,Gomis-Ruth, F.X. A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci 2023 14 869 888 8B2Q 36755705 Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia in complex with T. forsythia karilysin. 2022-09-14 2022-12-21 Ksiazek, M.,Goulas, T.,Mizgalska, D.,Rodriguez-Banqueri, A.,Eckhard, U.,Veillard, F.,Waligorska, I.,Benedyk-Machaczka, M.,Sochaj-Gregorczyk, A.M.,Madej, M.,Thogersen, I.B.,Enghild, J.J.,Cuppari, A.,Arolas, J.L.,de Diego, I.,Lopez-Pelegrin, M.,Garcia-Ferrer, I.,Guevara, T.,Dive, V.,Zani, M.L.,Moreau, T.,Potempa, J.,Gomis-Ruth, F.X. A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci 2023 14 869 888 8EHB 36755705 Structure of Tannerella forsythia selenomethionine-derivatized potempin D mutant I53M 2022-09-14 2022-12-21 Ksiazek, M.,Goulas, T.,Mizgalska, D.,Rodriguez-Banqueri, A.,Eckhard, U.,Veillard, F.,Waligorska, I.,Benedyk-Machaczka, M.,Sochaj-Gregorczyk, A.M.,Madej, M.,Thogersen, I.B.,Enghild, J.J.,Cuppari, A.,Arolas, J.L.,de Diego, I.,Lopez-Pelegrin, M.,Garcia-Ferrer, I.,Guevara, T.,Dive, V.,Zani, M.L.,Moreau, T.,Potempa, J.,Gomis-Ruth, F.X. A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci 2023 14 869 888 8EHC 36755705 Structure of Tannerella forsythia selenomethionine-derivatized potempin E 2022-09-14 2022-12-21 Ksiazek, M.,Goulas, T.,Mizgalska, D.,Rodriguez-Banqueri, A.,Eckhard, U.,Veillard, F.,Waligorska, I.,Benedyk-Machaczka, M.,Sochaj-Gregorczyk, A.M.,Madej, M.,Thogersen, I.B.,Enghild, J.J.,Cuppari, A.,Arolas, J.L.,de Diego, I.,Lopez-Pelegrin, M.,Garcia-Ferrer, I.,Guevara, T.,Dive, V.,Zani, M.L.,Moreau, T.,Potempa, J.,Gomis-Ruth, F.X. A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci 2023 14 869 888 8EHD 36755705 Structure of Tannerella forsythia potempin E 2022-09-14 2022-12-21 Ksiazek, M.,Goulas, T.,Mizgalska, D.,Rodriguez-Banqueri, A.,Eckhard, U.,Veillard, F.,Waligorska, I.,Benedyk-Machaczka, M.,Sochaj-Gregorczyk, A.M.,Madej, M.,Thogersen, I.B.,Enghild, J.J.,Cuppari, A.,Arolas, J.L.,de Diego, I.,Lopez-Pelegrin, M.,Garcia-Ferrer, I.,Guevara, T.,Dive, V.,Zani, M.L.,Moreau, T.,Potempa, J.,Gomis-Ruth, F.X. A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci 2023 14 869 888 8EHE 36755705 Structure of Tannerella forsythia potempin C in complex with mirolase 2022-09-14 2022-12-21 Ksiazek, M.,Goulas, T.,Mizgalska, D.,Rodriguez-Banqueri, A.,Eckhard, U.,Veillard, F.,Waligorska, I.,Benedyk-Machaczka, M.,Sochaj-Gregorczyk, A.M.,Madej, M.,Thogersen, I.B.,Enghild, J.J.,Cuppari, A.,Arolas, J.L.,de Diego, I.,Lopez-Pelegrin, M.,Garcia-Ferrer, I.,Guevara, T.,Dive, V.,Zani, M.L.,Moreau, T.,Potempa, J.,Gomis-Ruth, F.X. A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia. Chem Sci 2023 14 869 888 7PWX 36622213 dUTPase from M. tuberculosis in complex with Stl 2021-10-07 2022-12-28 Sanz-Frasquet, C.,Ciges-Tomas, J.R.,Alite, C.,Penades, J.R.,Marina, A. The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases. Microbiol Spectr 2023 11 0 0 7ZQW 36336176 Structure of the SARS-CoV-1 main protease in complex with AG7404 2022-05-03 2022-12-28 Fabrega-Ferrer, M.,Herrera-Morande, A.,Muriel-Goni, S.,Perez-Saavedra, J.,Bueno, P.,Castro, V.,Garaigorta, U.,Gastaminza, P.,Coll, M. Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404. Antiviral Res. 2022 208 105458 105458 7ZR3 36602332 STRUCTURE OF ESTER-HYDROLASE EH0 FROM THE METAGENOME OF SORGHUM BICOLOR RHIZOSPHERE FROM THE HENFAES RESEARCH CENTRE (GWYNEDD, WALES) 2022-05-03 2022-12-28 Distaso, M.,Cea-Rama, I.,Coscolin, C.,Chernikova, T.N.,Tran, H.,Ferrer, M.,Sanz-Aparicio, J.,Golyshin, P.N. The Mobility of the Cap Domain Is Essential for the Substrate Promiscuity of a Family IV Esterase from Sorghum Rhizosphere Microbiome. Appl.Environ.Microbiol. 2023 89 0 0 8BEQ 36499311 Structure of fructofuranosidase from Rhodotorula dairenensis 2022-10-21 2022-12-28 Jimenez-Ortega, E.,Narmontaite, E.,Gonzalez-Perez, B.,Plou, F.J.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Insights into the Structure of the Highly Glycosylated Ffase from Rhodotorula dairenensis Enhance Its Biotechnological Potential. Int J Mol Sci 2022 23 0 0 8BES 36499311 Structure of D188A-fructofuranosidase from Rhodotorula dairenensis in complex with fructose 2022-10-21 2022-12-28 Jimenez-Ortega, E.,Narmontaite, E.,Gonzalez-Perez, B.,Plou, F.J.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Insights into the Structure of the Highly Glycosylated Ffase from Rhodotorula dairenensis Enhance Its Biotechnological Potential. Int J Mol Sci 2022 23 0 0 8BET 36499311 Structure of D188A-fructofuranosidase from Rhodotorula dairenesis in complex with sucrose 2022-10-21 2022-12-28 Jimenez-Ortega, E.,Narmontaite, E.,Gonzalez-Perez, B.,Plou, F.J.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Insights into the Structure of the Highly Glycosylated Ffase from Rhodotorula dairenensis Enhance Its Biotechnological Potential. Int J Mol Sci 2022 23 0 0 8BEU 36499311 Structure of D188A-fructofuranosidase from Rhodotorula dairenensis in complex with raffinose 2022-10-21 2022-12-28 Jimenez-Ortega, E.,Narmontaite, E.,Gonzalez-Perez, B.,Plou, F.J.,Fernandez-Lobato, M.,Sanz-Aparicio, J. Insights into the Structure of the Highly Glycosylated Ffase from Rhodotorula dairenensis Enhance Its Biotechnological Potential. Int J Mol Sci 2022 23 0 0 7ZZ7 36455355 Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 2022-05-25 2023-01-11 Clement, D.A.,Gelin, M.,Leseigneur, C.,Huteau, V.,Mondange, L.,Pons, J.L.,Dussurget, O.,Lionne, C.,Labesse, G.,Pochet, S. Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem. 2023 246 114941 114941 7ZZD 36455355 Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 2022-05-25 2023-01-11 Clement, D.A.,Gelin, M.,Leseigneur, C.,Huteau, V.,Mondange, L.,Pons, J.L.,Dussurget, O.,Lionne, C.,Labesse, G.,Pochet, S. Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem. 2023 246 114941 114941 7ZZH 36455355 Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 2022-05-25 2023-01-11 Clement, D.A.,Gelin, M.,Leseigneur, C.,Huteau, V.,Mondange, L.,Pons, J.L.,Dussurget, O.,Lionne, C.,Labesse, G.,Pochet, S. Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem. 2023 246 114941 114941 7ZZJ 36455355 Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative 2022-05-25 2023-01-11 Clement, D.A.,Gelin, M.,Leseigneur, C.,Huteau, V.,Mondange, L.,Pons, J.L.,Dussurget, O.,Lionne, C.,Labesse, G.,Pochet, S. Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria. Eur.J.Med.Chem. 2023 246 114941 114941 8E2R 36624149 Crystal structure of TadAC-1.14 2022-08-15 2023-01-11 Lam, D.K.,Feliciano, P.R.,Arif, A.,Bohnuud, T.,Fernandez, T.P.,Gehrke, J.M.,Grayson, P.,Lee, K.D.,Ortega, M.A.,Sawyer, C.,Schwaegerle, N.D.,Peraro, L.,Young, L.,Lee, S.J.,Ciaramella, G.,Gaudelli, N.M. Improved cytosine base editors generated from TadA variants. Nat.Biotechnol. 2023 41 686 697 7AVW X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-iSB07-HAB1 TERNARY COMPLEX 2020-11-06 2023-01-18 Albert, A.,Infantes, L.,Benavente, J.L. X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-Lig2-HAB1 TERNARY COMPLEX To Be Published 0 0 0 0 7QU6 36711084 Crystal structure of the N-terminal domain of Siglec-8 2022-01-17 2023-01-18 Lenza, M.P.,Atxabal, U.,Nycholat, C.,Oyenarte, I.,Franconetti, A.,Quintana, J.I.,Delgado, S.,Nunez-Franco, R.,Garnica Marroquin, C.T.,Coelho, H.,Unione, L.,Jimenez-Oses, G.,Marcelo, F.,Schubert, M.,Paulson, J.C.,Jimenez-Barbero, J.,Ereno-Orbea, J. Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au 2023 3 204 215 7UCX LRP8 11H1 Fab complexed to a cyclized CR1 peptide 2022-03-17 2023-01-18 Argiriadi, M.A.,Deng, K.,Egan, D.,Gao, L.,Gizatullin, F.,Harlan, J.,Karaoglu Hanzatian, D.,Qiu, W.,Villanueva, R.,Goodearl, A. The use of cyclic peptide antigens to generate LRP8 specific antibodies Front Drug Discov (Lausanne) 2023 2 0 0 7PN4 36583658 Evolved unspecific peroxygenase with A77L mutation in complex with naphthalene 2021-09-06 2023-01-25 Gomez de Santos, P.,Gonzalez-Benjumea, A.,Fernandez-Garcia, A.,Aranda, C.,Wu, Y.,But, A.,Molina-Espeja, P.,Mate, D.M.,Gonzalez-Perez, D.,Zhang, W.,Kiebist, J.,Scheibner, K.,Hofrichter, M.,Swiderek, K.,Moliner, V.,Sanz-Aparicio, J.,Hollmann, F.,Gutierrez, A.,Alcalde, M. Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 7PN5 36583658 Evolved unspecific peroxygenase with A77L mutation in complex with hexane 2021-09-06 2023-01-25 Gomez de Santos, P.,Gonzalez-Benjumea, A.,Fernandez-Garcia, A.,Aranda, C.,Wu, Y.,But, A.,Molina-Espeja, P.,Mate, D.M.,Gonzalez-Perez, D.,Zhang, W.,Kiebist, J.,Scheibner, K.,Hofrichter, M.,Swiderek, K.,Moliner, V.,Sanz-Aparicio, J.,Hollmann, F.,Gutierrez, A.,Alcalde, M. Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 7PN6 36583658 Evolved unspecific peroxygenase with A77L mutation in complex with myristic acid 2021-09-06 2023-01-25 Gomez de Santos, P.,Gonzalez-Benjumea, A.,Fernandez-Garcia, A.,Aranda, C.,Wu, Y.,But, A.,Molina-Espeja, P.,Mate, D.M.,Gonzalez-Perez, D.,Zhang, W.,Kiebist, J.,Scheibner, K.,Hofrichter, M.,Swiderek, K.,Moliner, V.,Sanz-Aparicio, J.,Hollmann, F.,Gutierrez, A.,Alcalde, M. Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 7PN7 36583658 Evolved unspecific peroxygenase with A77L mutation in complex with palmitoleic acid 2021-09-06 2023-01-25 Gomez de Santos, P.,Gonzalez-Benjumea, A.,Fernandez-Garcia, A.,Aranda, C.,Wu, Y.,But, A.,Molina-Espeja, P.,Mate, D.M.,Gonzalez-Perez, D.,Zhang, W.,Kiebist, J.,Scheibner, K.,Hofrichter, M.,Swiderek, K.,Moliner, V.,Sanz-Aparicio, J.,Hollmann, F.,Gutierrez, A.,Alcalde, M. Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 7PN8 36583658 Evolved unspecific peroxygenase with A77L mutation in complex with tetradecane 2021-09-06 2023-01-25 Gomez de Santos, P.,Gonzalez-Benjumea, A.,Fernandez-Garcia, A.,Aranda, C.,Wu, Y.,But, A.,Molina-Espeja, P.,Mate, D.M.,Gonzalez-Perez, D.,Zhang, W.,Kiebist, J.,Scheibner, K.,Hofrichter, M.,Swiderek, K.,Moliner, V.,Sanz-Aparicio, J.,Hollmann, F.,Gutierrez, A.,Alcalde, M. Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 7PN9 36583658 Evolved unspecific peroxygenase with A77L mutation in complex with lauric acid 2021-09-06 2023-01-25 Gomez de Santos, P.,Gonzalez-Benjumea, A.,Fernandez-Garcia, A.,Aranda, C.,Wu, Y.,But, A.,Molina-Espeja, P.,Mate, D.M.,Gonzalez-Perez, D.,Zhang, W.,Kiebist, J.,Scheibner, K.,Hofrichter, M.,Swiderek, K.,Moliner, V.,Sanz-Aparicio, J.,Hollmann, F.,Gutierrez, A.,Alcalde, M. Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 7PNA 36583658 Evolved unspecific peroxygenase with A77L mutation in complex with 12-methoxylauric acid 2021-09-06 2023-01-25 Gomez de Santos, P.,Gonzalez-Benjumea, A.,Fernandez-Garcia, A.,Aranda, C.,Wu, Y.,But, A.,Molina-Espeja, P.,Mate, D.M.,Gonzalez-Perez, D.,Zhang, W.,Kiebist, J.,Scheibner, K.,Hofrichter, M.,Swiderek, K.,Moliner, V.,Sanz-Aparicio, J.,Hollmann, F.,Gutierrez, A.,Alcalde, M. Engineering a Highly Regioselective Fungal Peroxygenase for the Synthesis of Hydroxy Fatty Acids. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 7QSG 36707645 Methylmannose polysaccharide mannosyltransferase from M. hassiacum 2022-01-13 2023-01-25 Maranha, A.,Costa, M.,Ripoll-Rozada, J.,Manso, J.A.,Miranda, V.,Mendes, V.M.,Manadas, B.,Macedo-Ribeiro, S.,Ventura, M.R.,Pereira, P.J.B.,Empadinhas, N. Self-recycling and partially conservative replication of mycobacterial methylmannose polysaccharides. Commun Biol 2023 6 108 108 7QSJ 36707645 Methylmannose polysaccharide hydrolase MmpH from M. hassiacum 2022-01-13 2023-01-25 Maranha, A.,Costa, M.,Ripoll-Rozada, J.,Manso, J.A.,Miranda, V.,Mendes, V.M.,Manadas, B.,Macedo-Ribeiro, S.,Ventura, M.R.,Pereira, P.J.B.,Empadinhas, N. Self-recycling and partially conservative replication of mycobacterial methylmannose polysaccharides. Commun Biol 2023 6 108 108 7QW6 Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate hemimethylated DNA duplex 2022-01-24 2023-01-25 Mitsikas, D.A.,Kouyianou, K.,Kotsifaki, D.,Providaki, M.,Bouriotis, V.,Glykos, N.M.,Kokkinidis, M. Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published 0 0 0 0 7QW7 Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate fully methylated DNA duplex 2022-01-24 2023-01-25 Mitsikas, D.A.,Kouyianou, K.,Kotsifaki, D.,Providaki, M.,Bouriotis, V.,Glykos, N.M.,Kokkinidis, M. Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus. To Be Published 0 0 0 0 7Z89 36560896 Sam68 2022-03-16 2023-02-01 Nadal, M.,Anton, R.,Dorca-Arevalo, J.,Estebanez-Perpina, E.,Tizzano, E.F.,Fuentes-Prior, P. Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci. 2023 32 0 0 7Z8A 36560896 Sam68 2022-03-16 2023-02-01 Nadal, M.,Anton, R.,Dorca-Arevalo, J.,Estebanez-Perpina, E.,Tizzano, E.F.,Fuentes-Prior, P. Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci. 2023 32 0 0 7Z9A 36560896 Sam68 2022-03-20 2023-02-01 Nadal, M.,Anton, R.,Dorca-Arevalo, J.,Estebanez-Perpina, E.,Tizzano, E.F.,Fuentes-Prior, P. Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci. 2023 32 0 0 7Z9B 36560896 Sam68 2022-03-20 2023-02-01 Nadal, M.,Anton, R.,Dorca-Arevalo, J.,Estebanez-Perpina, E.,Tizzano, E.F.,Fuentes-Prior, P. Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci. 2023 32 0 0 7ZAB 36560896 Sam68 2022-03-22 2023-02-01 Nadal, M.,Anton, R.,Dorca-Arevalo, J.,Estebanez-Perpina, E.,Tizzano, E.F.,Fuentes-Prior, P. Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci. 2023 32 0 0 7ZAC 36560896 Sam68 2022-03-22 2023-02-01 Nadal, M.,Anton, R.,Dorca-Arevalo, J.,Estebanez-Perpina, E.,Tizzano, E.F.,Fuentes-Prior, P. Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci. 2023 32 0 0 7ZAF 36560896 Sam68 2022-03-22 2023-02-01 Nadal, M.,Anton, R.,Dorca-Arevalo, J.,Estebanez-Perpina, E.,Tizzano, E.F.,Fuentes-Prior, P. Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci. 2023 32 0 0 7ZAM 36560896 Sam68 2022-03-22 2023-02-01 Nadal, M.,Anton, R.,Dorca-Arevalo, J.,Estebanez-Perpina, E.,Tizzano, E.F.,Fuentes-Prior, P. Structure and function analysis of Sam68 and hnRNP A1 synergy in the exclusion of exon 7 from SMN2 transcripts. Protein Sci. 2023 32 0 0 8B58 36653744 Crystal Structure of Cyclophilin TgCyp23 from Toxoplasma gondii in complex with Cyclosporin A 2022-09-22 2023-02-01 Favretto, F.,Jimenez-Faraco, E.,Conter, C.,Dominici, P.,Hermoso, J.A.,Astegno, A. Structural Basis for Cyclosporin Isoform-Specific Inhibition of Cyclophilins from Toxoplasma gondii . Acs Infect Dis. 2023 9 365 377 8BPL 36677714 Aspartate transcarbamoylase mutant (N2045C, R2238C) from Chaetomium thermophilum CAD-like bound to carbamoyl phosphate 2022-11-16 2023-02-01 Del Cano-Ochoa, F.,Rubio-Del-Campo, A.,Ramon-Maiques, S. A Tailored Strategy to Crosslink the Aspartate Transcarbamoylase Domain of the Multienzymatic Protein CAD. Molecules 2023 28 0 0 8BPS 36677714 Aspartate transcarbamoylase mutant (N2045C, R2238C) from Chaetomium thermophilum CAD-like in apo form 2022-11-25 2023-02-01 Del Cano-Ochoa, F.,Rubio-Del-Campo, A.,Ramon-Maiques, S. A Tailored Strategy to Crosslink the Aspartate Transcarbamoylase Domain of the Multienzymatic Protein CAD. Molecules 2023 28 0 0 7ZVO 36660365 Structure of CBM BT0996-C from Bacteroides thetaiotaomicron 2022-05-16 2023-02-08 Trovao, F.,Correia, V.G.,Lourenco, F.M.,Ribeiro, D.O.,Carvalho, A.L.,Palma, A.S.,Pinheiro, B.A. The structure of a Bacteroides thetaiotaomicron carbohydrate-binding module provides new insight into the recognition of complex pectic polysaccharides by the human microbiome. J Struct Biol X 2023 7 100084 100084 8AMT 36688326 OBD-RepB pMV158 domain 2022-08-04 2023-02-08 Machon, C.,Ruiz-Maso, J.A.,Amodio, J.,Boer, D.R.,Bordanaba-Ruiseco, L.,Bury, K.,Konieczny, I.,Del Solar, G.,Coll, M. Structures of pMV158 replication initiator RepB with and without DNA reveal a flexible dual-function protein. Nucleic Acids Res. 2023 51 1458 1472 8AMU 36688326 RepB pMV158 OBD domain bound to DDR region 2022-08-04 2023-02-08 Machon, C.,Ruiz-Maso, J.A.,Amodio, J.,Boer, D.R.,Bordanaba-Ruiseco, L.,Bury, K.,Konieczny, I.,Del Solar, G.,Coll, M. Structures of pMV158 replication initiator RepB with and without DNA reveal a flexible dual-function protein. Nucleic Acids Res. 2023 51 1458 1472 7R2H 0.79A resolution structure of DMSO bound Cyclophilin D 2022-02-04 2023-02-15 Silva, D.O.,Graedler, U. 0.79A resolution structure of DMSO bound Cyclophilin D To Be Published 0 0 0 0 7R2J Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide 2022-02-04 2023-02-15 Silva, D.O.,Graedler, U.,Bandeiras, T.M. Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide To Be Published 0 0 0 0 7R2L Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide 2022-02-04 2023-02-15 Silva, D.O.,Graedler, U.,Bandeiras, T.M. Human Cyclophilin D in complex with N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide To Be Published 0 0 0 0 8B2A 36762206 Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative 2022-09-13 2023-02-15 Rodriguez, A.,Maneiro, M.,Lence, E.,Otero, J.M.,van Raaij, M.J.,Thompson, P.,Hawkins, A.R.,Gonzalez-Bello, C. Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight. Front Mol Biosci 2023 10 1111598 1111598 8B2B 36762206 Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative 2022-09-13 2023-02-15 Rodriguez, A.,Maneiro, M.,Lence, E.,Otero, J.M.,van Raaij, M.J.,Thompson, P.,Hawkins, A.R.,Gonzalez-Bello, C. Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight. Front Mol Biosci 2023 10 1111598 1111598 8B2C 36762206 Crystal structure of type I dehydroquinase from Salmonella typhi inhibited by an epoxide derivative 2022-09-13 2023-02-15 Rodriguez, A.,Maneiro, M.,Lence, E.,Otero, J.M.,van Raaij, M.J.,Thompson, P.,Hawkins, A.R.,Gonzalez-Bello, C. Quinate-based ligands for irreversible inactivation of the bacterial virulence factor DHQ1 enzyme-A molecular insight. Front Mol Biosci 2023 10 1111598 1111598 7PHO Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde 2021-08-17 2023-03-01 Nunes-Costa, D.,Silva, A.,Barbosa Pereira, P.J.,Macedo-Ribeiro, S. Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde To Be Published 0 0 0 0 8BZ3 36835132 Structure od the carbohydrate reconition domain of Gal3 in comples with SAF-2-010 2022-12-14 2023-03-01 Abdullayev, S.,Kadav, P.,Bandyopadhyay, P.,Medrano, F.J.,Rabinovich, G.A.,Dam, T.K.,Romero, A.,Roy, R. Selectively Modified Lactose and N -Acetyllactosamine Analogs at Three Key Positions to Afford Effective Galectin-3 Ligands. Int J Mol Sci 2023 24 0 0 8AKI 36972204 Acyl-enzyme complex of ampicillin bound to deacylation mutant KPC-2 (E166Q) 2022-07-29 2023-03-08 Tooke, C.L.,Hinchliffe, P.,Beer, M.,Zinovjev, K.,Colenso, C.K.,Schofield, C.J.,Mulholland, A.J.,Spencer, J. Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc. 2023 145 7166 7180 8AKJ 36972204 Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q) 2022-07-29 2023-03-08 Tooke, C.L.,Hinchliffe, P.,Beer, M.,Zinovjev, K.,Colenso, C.K.,Schofield, C.J.,Mulholland, A.J.,Spencer, J. Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc. 2023 145 7166 7180 8AKK 36972204 Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q) 2022-07-29 2023-03-08 Tooke, C.L.,Hinchliffe, P.,Beer, M.,Zinovjev, K.,Colenso, C.K.,Schofield, C.J.,Mulholland, A.J.,Spencer, J. Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc. 2023 145 7166 7180 8AKL 36972204 Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q) 2022-07-29 2023-03-08 Tooke, C.L.,Hinchliffe, P.,Beer, M.,Zinovjev, K.,Colenso, C.K.,Schofield, C.J.,Mulholland, A.J.,Spencer, J. Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc. 2023 145 7166 7180 7ZTF 36460243 Penicillium expansum antifungal protein B 2022-05-10 2023-03-22 Giner-Llorca, M.,Del Sol, F.G.,Marcos, J.F.,Marina, A.,Manzanares, P. Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship. Int.J.Biol.Macromol. 2023 225 135 148 7ZTJ 36460243 Penicillium expansum antifungal protein chimera C-ter 2022-05-10 2023-03-22 Giner-Llorca, M.,Del Sol, F.G.,Marcos, J.F.,Marina, A.,Manzanares, P. Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship. Int.J.Biol.Macromol. 2023 225 135 148 7ZTV 36921044 Crystal structure of mutant AR-LBD (F755L) bound to dihydrotestosterone 2022-05-11 2023-03-22 Alegre-Marti, A.,Jimenez-Panizo, A.,Martinez-Tebar, A.,Poulard, C.,Peralta-Moreno, M.N.,Abella, M.,Anton, R.,Chinas, M.,Eckhard, U.,Piulats, J.M.,Rojas, A.M.,Fernandez-Recio, J.,Rubio-Martinez, J.,Le Romancer, M.,Aytes, A.,Fuentes-Prior, P.,Estebanez-Perpina, E. A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance. Sci Adv 2023 9 0 0 7ZTX 36921044 Crystal structure of mutant AR-LBD (F755V) bound to dihydrotestosterone 2022-05-11 2023-03-22 Alegre-Marti, A.,Jimenez-Panizo, A.,Martinez-Tebar, A.,Poulard, C.,Peralta-Moreno, M.N.,Abella, M.,Anton, R.,Chinas, M.,Eckhard, U.,Piulats, J.M.,Rojas, A.M.,Fernandez-Recio, J.,Rubio-Martinez, J.,Le Romancer, M.,Aytes, A.,Fuentes-Prior, P.,Estebanez-Perpina, E. A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance. Sci Adv 2023 9 0 0 7ZTZ 36921044 Crystal structure of mutant AR-LBD (Y764C) bound to dihydrotestosterone 2022-05-11 2023-03-22 Alegre-Marti, A.,Jimenez-Panizo, A.,Martinez-Tebar, A.,Poulard, C.,Peralta-Moreno, M.N.,Abella, M.,Anton, R.,Chinas, M.,Eckhard, U.,Piulats, J.M.,Rojas, A.M.,Fernandez-Recio, J.,Rubio-Martinez, J.,Le Romancer, M.,Aytes, A.,Fuentes-Prior, P.,Estebanez-Perpina, E. A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance. Sci Adv 2023 9 0 0 7ZU1 36921044 Crystal structure of mutant AR-LBD (V758A) bound to dihydrotestosterone 2022-05-11 2023-03-22 Alegre-Marti, A.,Jimenez-Panizo, A.,Martinez-Tebar, A.,Poulard, C.,Peralta-Moreno, M.N.,Abella, M.,Anton, R.,Chinas, M.,Eckhard, U.,Piulats, J.M.,Rojas, A.M.,Fernandez-Recio, J.,Rubio-Martinez, J.,Le Romancer, M.,Aytes, A.,Fuentes-Prior, P.,Estebanez-Perpina, E. A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance. Sci Adv 2023 9 0 0 7ZU2 36921044 Crystal structure of mutant AR-LBD (Q799E) bound to dihydrotestosterone 2022-05-11 2023-03-22 Alegre-Marti, A.,Jimenez-Panizo, A.,Martinez-Tebar, A.,Poulard, C.,Peralta-Moreno, M.N.,Abella, M.,Anton, R.,Chinas, M.,Eckhard, U.,Piulats, J.M.,Rojas, A.M.,Fernandez-Recio, J.,Rubio-Martinez, J.,Le Romancer, M.,Aytes, A.,Fuentes-Prior, P.,Estebanez-Perpina, E. A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance. Sci Adv 2023 9 0 0 7ZUT 36460243 Penicillium expansum chimera loop1 2022-05-13 2023-03-22 Giner-Llorca, M.,Del Sol, F.G.,Marcos, J.F.,Marina, A.,Manzanares, P. Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship. Int.J.Biol.Macromol. 2023 225 135 148 8AY3 36897942 X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-iSB9-HAB1 TERNARY COMPLEX 2022-09-01 2023-03-22 Lozano-Juste, J.,Infantes, L.,Garcia-Maquilon, I.,Ruiz-Partida, R.,Merilo, E.,Benavente, J.L.,Velazquez-Campoy, A.,Coego, A.,Bono, M.,Forment, J.,Pampin, B.,Destito, P.,Monteiro, A.,Rodriguez, R.,Cruces, J.,Rodriguez, P.L.,Albert, A. Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv 2023 9 0 0 8AY6 36897942 X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-SB-HAB1 TERNARY COMPLEX 2022-09-02 2023-03-22 Lozano-Juste, J.,Infantes, L.,Garcia-Maquilon, I.,Ruiz-Partida, R.,Merilo, E.,Benavente, J.L.,Velazquez-Campoy, A.,Coego, A.,Bono, M.,Forment, J.,Pampin, B.,Destito, P.,Monteiro, A.,Rodriguez, R.,Cruces, J.,Rodriguez, P.L.,Albert, A. Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv 2023 9 0 0 8AY7 36897942 X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB7-HAB1 TERNARY COMPLEX 2022-09-02 2023-03-22 Lozano-Juste, J.,Infantes, L.,Garcia-Maquilon, I.,Ruiz-Partida, R.,Merilo, E.,Benavente, J.L.,Velazquez-Campoy, A.,Coego, A.,Bono, M.,Forment, J.,Pampin, B.,Destito, P.,Monteiro, A.,Rodriguez, R.,Cruces, J.,Rodriguez, P.L.,Albert, A. Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv 2023 9 0 0 8AY8 36897942 X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-iSB9-HAB1 TERNARY COMPLEX 2022-09-02 2023-03-22 Lozano-Juste, J.,Infantes, L.,Garcia-Maquilon, I.,Ruiz-Partida, R.,Merilo, E.,Benavente, J.L.,Velazquez-Campoy, A.,Coego, A.,Bono, M.,Forment, J.,Pampin, B.,Destito, P.,Monteiro, A.,Rodriguez, R.,Cruces, J.,Rodriguez, P.L.,Albert, A. Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv 2023 9 0 0 8AY9 36897942 X-RAY CRYSTAL STRUCTURE OF THE CsPYL1(V112L, T135L,F137I, T153I, V168A)-ABA-HAB1 TERNARY COMPLEX 2022-09-02 2023-03-22 Lozano-Juste, J.,Infantes, L.,Garcia-Maquilon, I.,Ruiz-Partida, R.,Merilo, E.,Benavente, J.L.,Velazquez-Campoy, A.,Coego, A.,Bono, M.,Forment, J.,Pampin, B.,Destito, P.,Monteiro, A.,Rodriguez, R.,Cruces, J.,Rodriguez, P.L.,Albert, A. Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv 2023 9 0 0 8AYA 36897942 X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-A10-HAB1 TERNARY COMPLEX 2022-09-02 2023-03-22 Lozano-Juste, J.,Infantes, L.,Garcia-Maquilon, I.,Ruiz-Partida, R.,Merilo, E.,Benavente, J.L.,Velazquez-Campoy, A.,Coego, A.,Bono, M.,Forment, J.,Pampin, B.,Destito, P.,Monteiro, A.,Rodriguez, R.,Cruces, J.,Rodriguez, P.L.,Albert, A. Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv 2023 9 0 0 8CD8 36857690 Ulilysin - C269A with AEBSF complex 2023-01-30 2023-03-22 Rodriguez-Banqueri, A.,Moliner-Culubret, M.,Mendes, S.R.,Guevara, T.,Eckhard, U.,Gomis-Ruth, F.X. Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases. Dalton Trans 2023 52 3610 3622 8CDB 36857690 Proulilysin E229A structure 2023-01-30 2023-03-22 Rodriguez-Banqueri, A.,Moliner-Culubret, M.,Mendes, S.R.,Guevara, T.,Eckhard, U.,Gomis-Ruth, F.X. Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases. Dalton Trans 2023 52 3610 3622 8BIS 36883335 Crystal structure of cystathionine gamma-lyase from Toxoplasma gondii in complex with DL-propargylglycine 2022-11-02 2023-04-12 Fernandez-Rodriguez, C.,Conter, C.,Oyenarte, I.,Favretto, F.,Quintana, I.,Martinez-Chantar, M.L.,Astegno, A.,Martinez-Cruz, L.A. Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci. 2023 32 0 0 8BIU 36883335 Cystathionine gamma-lyase in complex with cystathionine 2022-11-02 2023-04-12 Fernandez-Rodriguez, C.,Conter, C.,Oyenarte, I.,Favretto, F.,Quintana, I.,Martinez-Chantar, M.L.,Astegno, A.,Martinez-Cruz, L.A. Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci. 2023 32 0 0 8BIV 36883335 Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii 2022-11-02 2023-04-12 Fernandez-Rodriguez, C.,Conter, C.,Oyenarte, I.,Favretto, F.,Quintana, I.,Martinez-Chantar, M.L.,Astegno, A.,Martinez-Cruz, L.A. Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci. 2023 32 0 0 8BIW 36883335 Cystathionine gamma-lyase N360S mutant in complex with DL-propargylglycine 2022-11-02 2023-04-12 Fernandez-Rodriguez, C.,Conter, C.,Oyenarte, I.,Favretto, F.,Quintana, I.,Martinez-Chantar, M.L.,Astegno, A.,Martinez-Cruz, L.A. Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci. 2023 32 0 0 8BIX 36883335 Cystathionine gamma-lyase N360S mutant from Toxoplasma gondii in complex with cystathionine 2022-11-02 2023-04-12 Fernandez-Rodriguez, C.,Conter, C.,Oyenarte, I.,Favretto, F.,Quintana, I.,Martinez-Chantar, M.L.,Astegno, A.,Martinez-Cruz, L.A. Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci. 2023 32 0 0 8BIZ 36883335 Cystathionine gamma-lyase from Toxoplasma gondii in complex with cysteine 2022-11-02 2023-04-12 Fernandez-Rodriguez, C.,Conter, C.,Oyenarte, I.,Favretto, F.,Quintana, I.,Martinez-Chantar, M.L.,Astegno, A.,Martinez-Cruz, L.A. Structural basis of the inhibition of cystathionine gamma-lyase from Toxoplasma gondii by propargylglycine and cysteine. Protein Sci. 2023 32 0 0 7ZO0 36997505 Crystal structure of catalytic inactive unliganded form of FucOB, a GH95 family alpha-1,2-fucosidase from Akkermansia muciniphila 2022-04-23 2023-04-19 Anso, I.,Naegeli, A.,Cifuente, J.O.,Orrantia, A.,Andersson, E.,Zenarruzabeitia, O.,Moraleda-Montoya, A.,Garcia-Alija, M.,Corzana, F.,Del Orbe, R.A.,Borrego, F.,Trastoy, B.,Sjogren, J.,Guerin, M.E. Turning universal O into rare Bombay type blood. Nat Commun 2023 14 1765 1765 8BNY 36876435 Structure of the tetramerization domain of pLS20 conjugation repressor Rco 2022-11-14 2023-04-19 Bernardo, N.,Crespo, I.,Cuppari, A.,Meijer, W.J.J.,Boer, D.R. A tetramerization domain in prokaryotic and eukaryotic transcription regulators homologous to p53. Acta Crystallogr D Struct Biol 2023 79 259 267 8C1N 37126532 FMDV 3D polymerase in complex with 3B1 protein solved in P212121 space group 2022-12-20 2023-04-26 Ferrer-Orta, C.,Ferrero, D.S.,Verdaguer, N. Dual role of the foot-and-mouth disease virus 3B1 protein in the replication complex: As protein primer and as an essential component to recruit 3Dpol to membranes. Plos Pathog. 2023 19 0 0 8C2P 37126532 FMDV 3D polymerase in complex with 3B3 2022-12-22 2023-04-26 Ferrer-Orta, C.,Ferrero, D.S.,Verdaguer, N. Dual role of the foot-and-mouth disease virus 3B1 protein in the replication complex: As protein primer and as an essential component to recruit 3Dpol to membranes. Plos Pathog. 2023 19 0 0 7ZMX 37148949 Crystal structure of the Plant Homeodomain (PHD) of human ING3 2022-04-20 2023-05-10 Ferreras-Gutierrez, M.,Chaves-Arquero, B.,Gonzalez-Magana, A.,Merino, N.,Amusategui-Mateu, I.,Huecas, S.,Medrano, F.J.,Blanco, F.J. Structural analysis of ING3 protein and histone H3 binding. Int.J.Biol.Macromol. 2023 242 124724 124724 7ZQ7 Structure of RpF-1 2022-04-29 2023-05-10 Sanchez-Alba, L.,Reverter, D.,Conchillo, O.,Yero, D.,Daura, X.,Gibert, I. Structure of RpF-1 To Be Published 0 0 0 0 7PVU 37308482 Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 2021-10-05 2023-05-17 Gonzalez, L.,Diaz, L.,Pous, J.,Baginski, B.,Duran-Corbera, A.,Scarpa, M.,Brun-Heath, I.,Igea, A.,Martin-Malpartida, P.,Ruiz, L.,Pallara, C.,Esguerra, M.,Colizzi, F.,Mayor-Ruiz, C.,Biondi, R.M.,Soliva, R.,Macias, M.J.,Orozco, M.,Nebreda, A.R. Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun 2023 14 3318 3318 8COK 37148949 Structural analysis of ING3 protein and its binding to histone H3 2023-02-28 2023-05-17 Ferreras-Gutierrez, M.,Chaves-Arquero, B.,Gonzalez-Magana, A.,Merino, N.,Amusategui-Mateu, I.,Huecas, S.,Medrano, F.J.,Blanco, F.J. Structural analysis of ING3 protein and histone H3 binding. Int.J.Biol.Macromol. 2023 242 124724 124724 7Z6I 37308482 Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21 2022-03-11 2023-06-14 Gonzalez, L.,Diaz, L.,Pous, J.,Baginski, B.,Duran-Corbera, A.,Scarpa, M.,Brun-Heath, I.,Igea, A.,Martin-Malpartida, P.,Ruiz, L.,Pallara, C.,Esguerra, M.,Colizzi, F.,Mayor-Ruiz, C.,Biondi, R.M.,Soliva, R.,Macias, M.J.,Orozco, M.,Nebreda, A.R. Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun 2023 14 3318 3318 7Z9T 37308482 Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 2022-03-21 2023-06-14 Gonzalez, L.,Diaz, L.,Pous, J.,Baginski, B.,Duran-Corbera, A.,Scarpa, M.,Brun-Heath, I.,Igea, A.,Martin-Malpartida, P.,Ruiz, L.,Pallara, C.,Esguerra, M.,Colizzi, F.,Mayor-Ruiz, C.,Biondi, R.M.,Soliva, R.,Macias, M.J.,Orozco, M.,Nebreda, A.R. Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun 2023 14 3318 3318 7ZIE Gcf1p, multimerizes and bridges the mitochondrial DNA from Candida albicans by a specific mechanism. 2022-04-07 2023-06-14 Tarres-Sole, A.,Ruiz-Lopez, E.,Lyonnais, S.,Sola, M. Gcf1p tetramerizes upon DNA binding, revealing a novel compaction method for mitochondrial DNA in Candida albicans. Nucleic Acids Res. 2023 0 0 0 7ZIE Gcf1p, multimerizes and bridges the mitochondrial DNA from Candida albicans by a specific mechanism. 2022-04-07 2023-06-14 Tarres-Sole, A.,Ruiz-Lopez, E.,Lyonnais, S.,Sola, M. Gcf1p tetramerizes upon DNA binding, revealing a novel compaction method for mitochondrial DNA in Candida albicans. 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Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b. Nat Commun 2023 14 3496 3496 7QP5 Crystal Structure of E. coli FhuF 2022-01-03 2023-07-12 Trindade, I.B.,Rollo, F.,Todorovic, S.,Catarino, T.,Moe, E.,Matias, P.M.,Piccioli, M.,Louro, R.O. The structure of a novel ferredoxin: FhuF, a ferric-siderophore reductase from E. coli K-12 with a novel 2Fe-2S cluster coordination Biorxiv 2023 0 0 0 8CFF 37442232 Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenite 2023-02-03 2023-07-12 Engrola, F.,Correia, M.A.S.,Watson, C.,Romao, C.C.,Veiros, L.F.,Romao, M.J.,Santos-Silva, T.,Santini, J.M. Arsenite oxidase in complex with antimonite and arsenite oxyanions: Insights into the catalytic mechanism. J.Biol.Chem. 2023 299 105036 105036 8PC7 37376994 STRUCTURE OF ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF BIPYRIDINE PHOSPHONATE 2023-06-09 2023-07-19 Fernandez-Lopez, L.,Cea-Rama, I.,Alvarez-Malmagro, J.,Ressmann, A.K.,Gonzalez-Alfonso, J.L.,Coscolin, C.,Shahgaldian, P.,Plou, F.J.,Modregger, J.,Pita, M.,Sanz-Aparicio, J.,Ferrer, M. Transforming an esterase into an enantioselective catecholase through bioconjugation of a versatile metal-chelating inhibitor. Chem.Commun.(Camb.) 2023 59 9469 9472 8OW4 2.75 angstrom crystal structure of human NFAT1 with bound DNA 2023-04-27 2023-07-26 Lopez-Sagaseta, J.,Erausquin, E.,Hernandez-Morales, S.,Urdiciain, A.,Lasarte, J.J.,Lozano, T. 2.75 angstrom crystal structure of human NFAT1 with bound DNA Not published 0 0 0 0 8AXH 38274250 Crystal structure of a MUC1-like glycopeptide containing the unnatural L-4-hydroxynorvaline in complex with scFv-SM3 2022-08-31 2023-08-09 Bermejo, I.A.,Guerreiro, A.,Eguskiza, A.,Martinez-Saez, N.,Lazaris, F.S.,Asin, A.,Somovilla, V.J.,Companon, I.,Raju, T.K.,Tadic, S.,Garrido, P.,Garcia-Sanmartin, J.,Mangini, V.,Grosso, A.S.,Marcelo, F.,Avenoza, A.,Busto, J.H.,Garcia-Martin, F.,Hurtado-Guerrero, R.,Peregrina, J.M.,Bernardes, G.J.L.,Martinez, A.,Fiammengo, R.,Corzana, F. Structure-Guided Approach for the Development of MUC1-Glycopeptide-Based Cancer Vaccines with Predictable Responses. Jacs Au 2024 4 150 163 8B4B 37428913 ToxR bacterial transcriptional regulator bound to 19 bp ompU promoter DNA 2022-09-20 2023-08-09 Canals, A.,Pieretti, S.,Muriel-Masanes, M.,El Yaman, N.,Plecha, S.C.,Thomson, J.J.,Fabrega-Ferrer, M.,Perez-Luque, R.,Krukonis, E.S.,Coll, M. ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8B4C 37428913 ToxR bacterial transcriptional regulator bound to 20 bp toxT promoter DNA 2022-09-20 2023-08-09 Canals, A.,Pieretti, S.,Muriel-Masanes, M.,El Yaman, N.,Plecha, S.C.,Thomson, J.J.,Fabrega-Ferrer, M.,Perez-Luque, R.,Krukonis, E.S.,Coll, M. ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8B4D 37428913 ToxR bacterial transcriptional regulator bound to 40 bp toxT promoter DNA 2022-09-20 2023-08-09 Canals, A.,Pieretti, S.,Muriel-Masanes, M.,El Yaman, N.,Plecha, S.C.,Thomson, J.J.,Fabrega-Ferrer, M.,Perez-Luque, R.,Krukonis, E.S.,Coll, M. ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8B4E 37428913 ToxR bacterial transcriptional regulator bound to 25 bp toxT promoter DNA 2022-09-20 2023-08-09 Canals, A.,Pieretti, S.,Muriel-Masanes, M.,El Yaman, N.,Plecha, S.C.,Thomson, J.J.,Fabrega-Ferrer, M.,Perez-Luque, R.,Krukonis, E.S.,Coll, M. ToxR activates the Vibrio cholerae virulence genes by tethering DNA to the membrane through versatile binding to multiple sites. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8TBE 37800975 Co-crystal structure of SARS-CoV-2 Mpro with Pomotrelvir 2023-06-28 2023-08-09 Tong, X.,Keung, W.,Arnold, L.D.,Stevens, L.J.,Pruijssers, A.J.,Kook, S.,Lopatin, U.,Denison, M.,Kwong, A.D. Evaluation of in vitro antiviral activity of SARS-CoV-2 M pro inhibitor pomotrelvir and cross-resistance to nirmatrelvir resistance substitutions. Antimicrob.Agents Chemother. 2023 67 0 0 7QVA 37963862 Crystal structure of a bacterial pyranose 2-oxidase in complex with mangiferin 2022-01-20 2023-08-16 Taborda, A.,Frazao, T.,Rodrigues, M.V.,Fernandez-Luengo, X.,Sancho, F.,Lucas, M.F.,Frazao, C.,Melo, E.P.,Ventura, M.R.,Masgrau, L.,Borges, P.T.,Martins, L.O. Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms. Nat Commun 2023 14 7289 7289 7QVD X-ray structure of the lytic transglycosylase SltB2 from Pseudomonas aeruginosa 2022-01-21 2023-08-16 Batuecas, M.T.,Miguel-Ruano, V.,Hermoso, J.A. X-ray structure of SltB2 from Pseudomonas aeruginosa To Be Published 0 0 0 0 8OTM 37482022 structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide 2023-04-21 2023-08-16 Chebaiki, M.,Delfourne, E.,Tamhaev, R.,Danoun, S.,Rodriguez, F.,Hoffmann, P.,Grosjean, E.,Goncalves, F.,Azema-Despeyroux, J.,Pal, A.,Kordulakova, J.,Preuilh, N.,Britton, S.,Constant, P.,Marrakchi, H.,Maveyraud, L.,Mourey, L.,Lherbet, C. Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem. 2023 259 115646 115646 8OHA 37409124 Crystal structure of Leptospira interrogans GAPDH 2023-03-20 2023-08-23 Navas-Yuste, S.,de la Paz, K.,Querol-Garcia, J.,Gomez-Quevedo, S.,Rodriguez de Cordoba, S.,Fernandez, F.J.,Vega, M.C. The structure of Leptospira interrogans GAPDH sheds light into an immunoevasion factor that can target the anaphylatoxin C5a of innate immunity. Front Immunol 2023 14 1190943 1190943 8ASA Crystal structure of AO75L 2022-08-18 2023-08-30 Laugeri, M.E.,Speciale, I.,Gimeno, A.,Lin, S.,Poveda, A.,Lowary, T.,Van Etten, J.L.,Barbero, J.J.,De Castro, C.,Tonetti, M.,Rojas, A.L. Crystal structure of AO75L To Be Published 0 0 0 0 8P5N 37692390 Arsenate reductase (ArsC2) from Deinococcus indicus, co-crystallized with arsenate 2023-05-24 2023-08-30 Gouveia, A.G.,Salgueiro, B.A.,Ranmar, D.O.,Antunes, W.D.T.,Kirchweger, P.,Golani, O.,Wolf, S.G.,Elbaum, M.,Matias, P.M.,Romao, C.V. Unraveling the multifaceted resilience of arsenic resistant bacterium Deinococcus indicus . Front Microbiol 2023 14 1240798 1240798 8P6M 37692390 Arsenate reductase (ArsC2) from Deinococcus indicus 2023-05-26 2023-08-30 Gouveia, A.G.,Salgueiro, B.A.,Ranmar, D.O.,Antunes, W.D.T.,Kirchweger, P.,Golani, O.,Wolf, S.G.,Elbaum, M.,Matias, P.M.,Romao, C.V. Unraveling the multifaceted resilience of arsenic resistant bacterium Deinococcus indicus . Front Microbiol 2023 14 1240798 1240798 8P0O 37723184 Crystal structure of AaNGT complexed to UDP-Gal 2023-05-10 2023-09-06 Piniello, B.,Macias-Leon, J.,Miyazaki, S.,Garcia-Garcia, A.,Companon, I.,Ghirardello, M.,Taleb, V.,Veloz, B.,Corzana, F.,Miyagawa, A.,Rovira, C.,Hurtado-Guerrero, R. Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun 2023 14 5785 5785 8P0P 37723184 Crystal structure of AaNGT complexed to UDP-2F-Glucose 2023-05-10 2023-09-06 Piniello, B.,Macias-Leon, J.,Miyazaki, S.,Garcia-Garcia, A.,Companon, I.,Ghirardello, M.,Taleb, V.,Veloz, B.,Corzana, F.,Miyagawa, A.,Rovira, C.,Hurtado-Guerrero, R. Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun 2023 14 5785 5785 8BRE 37660917 1,6-anhydro-n-actetylmuramic acid kinase (AnmK) 2022-11-23 2023-09-20 El-Araby, A.M.,Jimenez-Faraco, E.,Feltzer, R.,Martin-Garcia, J.M.,Karri, B.R.,Ramachandran, B.,Kim, C.,Fisher, J.F.,Hermoso, J.A.,Mobashery, S. Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J.Biol.Chem. 2023 299 105198 105198 8C0U 37660917 1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with their natural substrates and products 2022-12-19 2023-09-20 El-Araby, A.M.,Jimenez-Faraco, E.,Feltzer, R.,Martin-Garcia, J.M.,Karri, B.R.,Ramachandran, B.,Kim, C.,Fisher, J.F.,Hermoso, J.A.,Mobashery, S. Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J.Biol.Chem. 2023 299 105198 105198 8CP9 37660917 1,6-anhydro-n-actetylmuramic acid kinase (AnmK)in complex with non-hydrolyzable AMPPNP. 2023-03-02 2023-09-20 El-Araby, A.M.,Jimenez-Faraco, E.,Feltzer, R.,Martin-Garcia, J.M.,Karri, B.R.,Ramachandran, B.,Kim, C.,Fisher, J.F.,Hermoso, J.A.,Mobashery, S. Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J.Biol.Chem. 2023 299 105198 105198 8CPB 37660917 1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with AMPPNP, and AnhMurNAc at 1.7 Angstroms resolution. 2023-03-02 2023-09-20 El-Araby, A.M.,Jimenez-Faraco, E.,Feltzer, R.,Martin-Garcia, J.M.,Karri, B.R.,Ramachandran, B.,Kim, C.,Fisher, J.F.,Hermoso, J.A.,Mobashery, S. Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J.Biol.Chem. 2023 299 105198 105198 8AK4 37712998 Structure of the C-terminally truncated NAD+-dependent DNA ligase from the poly-extremophile Deinococcus radiodurans 2022-07-29 2023-09-27 Fernandes, A.,Williamson, A.,Matias, P.M.,Moe, E. Structure/function studies of the NAD + -dependent DNA ligase from the poly-extremophile Deinococcus radiodurans reveal importance of the BRCT domain for DNA binding. Extremophiles 2023 27 26 26 8CM4 37985883 W-formate dehydrogenase C872A from Desulfovibrio vulgaris - exposed to oxygen 2023-02-17 2023-09-27 Oliveira, A.R.,Mota, C.,Vilela-Alves, G.,Manuel, R.R.,Pedrosa, N.,Fourmond, V.,Klymanska, K.,Leger, C.,Guigliarelli, B.,Romao, M.J.,Cardoso Pereira, I.A. An allosteric redox switch involved in oxygen protection in a CO 2 reductase. Nat.Chem.Biol. 2024 20 111 119 8BL3 37741853 De novo single-chain immunoglobulin dimer scIg12 2022-11-09 2023-10-04 Roel-Touris, J.,Nadal, M.,Marcos, E. Single-chain dimers from de novo immunoglobulins as robust scaffolds for multiple binding loops. Nat Commun 2023 14 5939 5939 8BL6 37741853 De novo single-chain immunoglobulin dimer scIg12+EF3a 2022-11-09 2023-10-04 Roel-Touris, J.,Nadal, M.,Marcos, E. Single-chain dimers from de novo immunoglobulins as robust scaffolds for multiple binding loops. Nat Commun 2023 14 5939 5939 8P24 37888996 The crystal structure of the C-terminal domain of Mengla nucleoprotein 2023-05-14 2023-10-18 Ferrero, D.S.,Tomas Gilabert, O.,Verdaguer, N. Structural insights on the nucleoprotein C-terminal domain of Mengla virus. Microbiol Spectr 2023 11 0 0 8ANT 38177302 Crystal structure of 6xhis-tagged phi3T_93 protein 2022-08-05 2023-10-25 Zamora-Caballero, S.,Chmielowska, C.,Quiles-Puchalt, N.,Brady, A.,Del Sol, F.G.,Mancheno-Bonillo, J.,Felipe-Ruiz, A.,Meijer, W.J.J.,Penades, J.R.,Marina, A. Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision. Nat Microbiol 2024 9 161 172 8ANU 38177302 Crystal structure of protein phi3T-93 2022-08-05 2023-10-25 Zamora-Caballero, S.,Chmielowska, C.,Quiles-Puchalt, N.,Brady, A.,Del Sol, F.G.,Mancheno-Bonillo, J.,Felipe-Ruiz, A.,Meijer, W.J.J.,Penades, J.R.,Marina, A. Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision. Nat Microbiol 2024 9 161 172 8BBI Crystal structure of Xyn11 double mutant L271S, K275H from Psedothermotoga thermarum 2022-10-13 2023-10-25 Cea-Rama, I.,Sanz Aparicio, J. Crystal structure of Xyn11 double mutant L271S, K275H from Pseudothermotoga thermarum To be published 0 0 0 0 8C8E 38177302 Crystal structure of phi3T_93 L23D mutant 2023-01-19 2023-10-25 Zamora-Caballero, S.,Chmielowska, C.,Quiles-Puchalt, N.,Brady, A.,Del Sol, F.G.,Mancheno-Bonillo, J.,Felipe-Ruiz, A.,Meijer, W.J.J.,Penades, J.R.,Marina, A. Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision. Nat Microbiol 2024 9 161 172 8P0Y 37888996 The crystal structure of the C-terminal domain of Mengla nucleoprotein 2023-05-11 2023-10-25 Ferrero, D.S.,Tomas Gilabert, O.,Verdaguer, N. Structural insights on the nucleoprotein C-terminal domain of Mengla virus. Microbiol Spectr 2023 11 0 0 8OK0 37726177 Crystal structure of human NQO1 in complex with the inhibitor PMSF 2023-03-26 2023-11-01 Grieco, A.,Ruiz-Fresneda, M.A.,Gomez-Mulas, A.,Pacheco-Garcia, J.L.,Quereda-Moraleda, I.,Pey, A.L.,Martin-Garcia, J.M. Structural dynamics at the active site of the cancer-associated flavoenzyme NQO1 probed by chemical modification with PMSF. Febs Lett. 2023 597 2687 2698 8PBM 37540500 Mutant R1789Q of the dihydroorotase domain of human CAD protein bound to the substrate dihydroorotate 2023-06-09 2023-11-01 Del Cano-Ochoa, F.,Ng, B.G.,Rubio-Del-Campo, A.,Mahajan, S.,Wilson, M.P.,Vilar, M.,Rymen, D.,Sanchez-Pintos, P.,Kenny, J.,Ley Martos, M.,Campos, T.,Wortmann, S.B.,Freeze, H.H.,Ramon-Maiques, S. Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis 2023 46 1170 1185 8PBN 37540500 Mutant R1789Q of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate 2023-06-09 2023-11-01 Del Cano-Ochoa, F.,Ng, B.G.,Rubio-Del-Campo, A.,Mahajan, S.,Wilson, M.P.,Vilar, M.,Rymen, D.,Sanchez-Pintos, P.,Kenny, J.,Ley Martos, M.,Campos, T.,Wortmann, S.B.,Freeze, H.H.,Ramon-Maiques, S. Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis 2023 46 1170 1185 8PBP 37540500 Mutant R1785C of the dihydroorotase domain of human CAD protein bound to the substrate carbamoyl aspartate 2023-06-09 2023-11-01 Del Cano-Ochoa, F.,Ng, B.G.,Rubio-Del-Campo, A.,Mahajan, S.,Wilson, M.P.,Vilar, M.,Rymen, D.,Sanchez-Pintos, P.,Kenny, J.,Ley Martos, M.,Campos, T.,Wortmann, S.B.,Freeze, H.H.,Ramon-Maiques, S. Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis 2023 46 1170 1185 8PBQ 37540500 Mutant R1810Q of the dihydroorotase domain of human CAD protein bound to the substrates 2023-06-09 2023-11-01 Del Cano-Ochoa, F.,Ng, B.G.,Rubio-Del-Campo, A.,Mahajan, S.,Wilson, M.P.,Vilar, M.,Rymen, D.,Sanchez-Pintos, P.,Kenny, J.,Ley Martos, M.,Campos, T.,Wortmann, S.B.,Freeze, H.H.,Ramon-Maiques, S. Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis 2023 46 1170 1185 8PBR 37540500 Mutant R1475Q of the dihydroorotase domain of human CAD protein in apo form 2023-06-09 2023-11-01 Del Cano-Ochoa, F.,Ng, B.G.,Rubio-Del-Campo, A.,Mahajan, S.,Wilson, M.P.,Vilar, M.,Rymen, D.,Sanchez-Pintos, P.,Kenny, J.,Ley Martos, M.,Campos, T.,Wortmann, S.B.,Freeze, H.H.,Ramon-Maiques, S. Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis 2023 46 1170 1185 8PBS 37540500 Mutant K1482M of the dihydroorotase domain of human CAD protein in apo form 2023-06-09 2023-11-01 Del Cano-Ochoa, F.,Ng, B.G.,Rubio-Del-Campo, A.,Mahajan, S.,Wilson, M.P.,Vilar, M.,Rymen, D.,Sanchez-Pintos, P.,Kenny, J.,Ley Martos, M.,Campos, T.,Wortmann, S.B.,Freeze, H.H.,Ramon-Maiques, S. Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis 2023 46 1170 1185 8PBT 37540500 Mutant K1482M of the dihydroorotase domain of human CAD protein bound to the substrate dihydroorotate 2023-06-09 2023-11-01 Del Cano-Ochoa, F.,Ng, B.G.,Rubio-Del-Campo, A.,Mahajan, S.,Wilson, M.P.,Vilar, M.,Rymen, D.,Sanchez-Pintos, P.,Kenny, J.,Ley Martos, M.,Campos, T.,Wortmann, S.B.,Freeze, H.H.,Ramon-Maiques, S. Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis 2023 46 1170 1185 8PBU 37540500 Mutant K1482M of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoorotate 2023-06-09 2023-11-01 Del Cano-Ochoa, F.,Ng, B.G.,Rubio-Del-Campo, A.,Mahajan, S.,Wilson, M.P.,Vilar, M.,Rymen, D.,Sanchez-Pintos, P.,Kenny, J.,Ley Martos, M.,Campos, T.,Wortmann, S.B.,Freeze, H.H.,Ramon-Maiques, S. Beyond genetics: Deciphering the impact of missense variants in CAD deficiency. J Inherit Metab Dis 2023 46 1170 1185 8BFO Structure of the apo form of Mpro from SARS-CoV-2 2022-10-26 2023-11-08 Medrano, F.J.,Romero, A. Peptidyl Nitroalkenes Inhibit SARS-CoV-2 Main Protease and Block Virus Replication To Be Published 0 0 0 0 8BFQ Structure of the apo form of Mpro from SARS-CoV-2 2022-10-26 2023-11-08 Medrano, F.J.,Romero, A. Peptidyl Nitroalkenes Inhibit SARS-CoV-2 Main Protease and Block Virus Replication To Be Published 0 0 0 0 8BGD Structure of Mpro from SARS-CoV-2 in complex with FGA147 2022-10-27 2023-11-08 Medrano, F.J.,Romero, A. Peptidyl Nitroalkenes Inhibit SARS-CoV-2 Main Protease and Block Virus Replication To Be Published 0 0 0 0 8EKX 37880389 Structure of MBP-Mcl-1 in complex with MIK665 2022-09-22 2023-11-08 Yuda, J.,Will, C.,Phillips, D.C.,Abraham, L.,Alvey, C.,Avigdor, A.,Buck, W.,Besenhofer, L.,Boghaert, E.,Cheng, D.,Cojocari, D.,Doyle, K.,Hansen, T.M.,Huang, K.,Johnson, E.F.,Judd, A.S.,Judge, R.A.,Kalvass, J.C.,Kunzer, A.,Lam, L.T.,Li, R.,Martin, R.L.,Mastracchio, A.,Mitten, M.,Petrich, A.,Wang, J.,Ward, J.E.,Zhang, H.,Wang, X.,Wolff, J.E.,Bell-McGuinn, K.M.,Souers, A.J. Selective MCL-1 inhibitor ABBV-467 is efficacious in tumor models but is associated with cardiac troponin increases in patients. Commun Med (Lond) 2023 3 154 154 8BJ6 Crystal structure of YopR 2022-11-03 2023-11-15 Gallego del Sol, F.,Marina, A. Crystal structure of YopR from SPbeta phage To Be Published 0 0 0 0 8BJV Crystal structure of YopR 2022-11-08 2023-11-22 Gallego del Sol, F.,Marina, A. Crystal structure of YopR from SPbeta phage To Be Published 0 0 0 0 7ZYW Crystal structure of T2R-TTL-PM534 complex 2022-05-25 2023-11-29 Oliva, M.A.,Diaz, J.F.,Cuevas, C. Structure of T2R-TTL-PM534 complex To Be Published 0 0 0 0 8ACM Crystal structure of WT p38alpha 2022-07-05 2023-11-29 Pous, J.,Baginski, B.,Gonzalez, L.,Macias, M.J.,Nebreda, A.R. Crystal structure of WT p38alpha Res Sq 0 0 0 0 8ACO Crystal structure of WT p38alpha 2022-07-05 2023-11-29 Pous, J.,Baginski, B.,Gonzalez, L.,Macias, M.J.,Nebreda, A.R. Crystal structure of WT p38alpha Res Sq 0 0 0 0 8BPZ Crystal structure of YopR 2022-11-18 2023-11-29 Gallego del Sol, F.,Marina, A. Crystal structure of YopR from SPbeta phage To Be Published 0 0 0 0 8BQ3 Crystal structure of human R13 mutant of the c-Src SH3 domain in complex with VSL12-peptide 2022-11-18 2023-11-29 Varejao, N.,Navarro, S.,Ventura, S.,Reverter, D. Crystal structure of human R13 mutant of the c-Src SH3 domain in complex with VSL12-peptide To Be Published 0 0 0 0 8V2N Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD 2023-11-23 2023-12-06 Chakrabarti, R.,Ghosh, A.,Guan, X.,Upadhyay, A.,Dumpati, R.K.,Munshi, S.,Roy, S.,Chall, S.,Rahnamoun, A.,Reverdy, C.,Errasti, G.,Delacroix, T. Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv 2023 0 0 0 8AHY 38018500 X-ray structure of human NCS-1 bound to Ric-8A 2022-07-25 2023-12-13 Munoz-Reyes, D.,McClelland, L.J.,Arroyo-Urea, S.,Sanchez-Yepes, S.,Sabin, J.,Perez-Suarez, S.,Menendez, M.,Mansilla, A.,Garcia-Nafria, J.,Sprang, S.,Sanchez-Barrena, M.J. The neuronal calcium sensor NCS-1 regulates the phosphorylation state and activity of the G alpha chaperone and GEF Ric-8A. Elife 2023 12 0 0 8ALH 38018500 X-ray structure of human NCS-1 bound to Ric-8A 2022-08-01 2023-12-13 Munoz-Reyes, D.,McClelland, L.J.,Arroyo-Urea, S.,Sanchez-Yepes, S.,Sabin, J.,Perez-Suarez, S.,Menendez, M.,Mansilla, A.,Garcia-Nafria, J.,Sprang, S.,Sanchez-Barrena, M.J. The neuronal calcium sensor NCS-1 regulates the phosphorylation state and activity of the G alpha chaperone and GEF Ric-8A. Elife 2023 12 0 0 8ALM 38018500 X-ray structure of human NCS-1 bound to Ric-8A 2022-08-01 2023-12-13 Munoz-Reyes, D.,McClelland, L.J.,Arroyo-Urea, S.,Sanchez-Yepes, S.,Sabin, J.,Perez-Suarez, S.,Menendez, M.,Mansilla, A.,Garcia-Nafria, J.,Sprang, S.,Sanchez-Barrena, M.J. The neuronal calcium sensor NCS-1 regulates the phosphorylation state and activity of the G alpha chaperone and GEF Ric-8A. Elife 2023 12 0 0 8BU0 Crystal structure of an 8 repeat consensus TPR superhelix with calcium 2022-11-30 2023-12-13 Liutkus, M.,Rojas, A.L.,Sasselli, I.R.,Cortajarena, A.L. Diverse crystalline protein scaffolds through metal-dependent polymorphism To Be Published 0 0 0 0 8A42 Crystal structure of the pneumococcal Substrate-binding protein AmiA in complex with an unknown peptide 2022-06-10 2023-12-20 Alcorlo, M.,Abdullah, M.R.,Hammerschmidt, S.,Hermoso, J. Crystal structure of the pneumococcal Substrate-binding protein AmiA in complex with an unknown peptide To Be Published 0 0 0 0 8BZ7 Crystal structure of the L. monocytogenes RmlT in complex with TDP-rhamnose 2022-12-14 2023-12-27 Monteiro, R.,Cereija, T.B.,Morais-Cabral, J.H.,Cabanes, D. Crystal structure of the L. monocytogenes RmlT in complex with TDP-rhamnose To Be Published 0 0 0 0 8PQN 38153885 NQO1 bound to RBS-10 2023-07-11 2024-01-10 Barbosa, B.M.G.,Sfyaki, A.,Rafael, S.,Jose-Duran, F.,Pous, J.,Sanchez-Zarzalejo, C.,Perez-Lopez, C.,Vilanova, M.,Cigler, M.,Gay, M.,Vilaseca, M.,Winter, G.E.,Riera, A.,Mayor-Ruiz, C. Discovery and Mechanistic Elucidation of NQO1-Bioactivatable Small Molecules That Overcome Resistance to Degraders. Angew.Chem.Int.Ed.Engl. 2024 63 0 0 8C4L Ferric-siderophore reduction in Shewanella biscestrii: Structural and functional characterization of SbiSIP reveals unforeseen specificity 2023-01-04 2024-01-17 Trindade, I.B.,Fonseca, B.M.,Catarino, T.,Matias, P.,Moe, E.,Louro, R.O. Ferric-siderophore reduction in Shewanella bicestrii: Structural and functional characterization of SbSIP reveals an overlooked specificity of siderophore interacting proteins To be published 0 0 0 0 8PW2 38281216 Protein p6 from bacteriophage phi29, C-terminal delta31 truncated version 2023-07-19 2024-01-17 Alcorlo, M.,Luque-Ortega, J.R.,Gago, F.,Ortega, A.,Castellanos, M.,Chacon, P.,de Vega, M.,Blanco, L.,Hermoso, J.M.,Serrano, M.,Rivas, G.,Hermoso, J.A. Flexible structural arrangement and DNA-binding properties of protein p6 from Bacillus subtillis phage phi 29. Nucleic Acids Res. 2024 52 2045 2065 8PW4 38281216 Protein p6 from bacteriophage phi29, C-terminal delta20 truncated version 2023-07-19 2024-01-17 Alcorlo, M.,Luque-Ortega, J.R.,Gago, F.,Ortega, A.,Castellanos, M.,Chacon, P.,de Vega, M.,Blanco, L.,Hermoso, J.M.,Serrano, M.,Rivas, G.,Hermoso, J.A. Flexible structural arrangement and DNA-binding properties of protein p6 from Bacillus subtillis phage phi 29. Nucleic Acids Res. 2024 52 2045 2065 8R6Q 38229762 Co-crystal structure of PD-L1 with low molecular weight inhibitor 2023-11-22 2024-01-17 Surmiak, E.,Zaber, J.,Plewka, J.,Wojtanowicz, G.,Kocik-Krol, J.,Kruc, O.,Muszak, D.,Rodriguez, I.,Musielak, B.,Viviano, M.,Castellano, S.,Skalniak, L.,Magiera-Mularz, K.,Holak, T.A.,Kalinowska-Tluscik, J. Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives. Acs Med.Chem.Lett. 2024 15 36 44 8P1O 38229762 Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives 2023-05-12 2024-01-31 Surmiak, E.,Zaber, J.,Plewka, J.,Wojtanowicz, G.,Kocik-Krol, J.,Kruc, O.,Muszak, D.,Rodriguez, I.,Musielak, B.,Viviano, M.,Castellano, S.,Skalniak, L.,Magiera-Mularz, K.,Holak, T.A.,Kalinowska-Tluscik, J. Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives. Acs Med.Chem.Lett. 2024 15 36 44 8OGE 37068394 Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate 2023-03-20 2024-02-07 Silva, J.M.,Cerofolini, L.,Carvalho, A.L.,Ravera, E.,Fragai, M.,Parigi, G.,Macedo, A.L.,Geraldes, C.F.G.C.,Luchinat, C. Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase. J.Inorg.Biochem. 2023 244 112222 112222 8PAQ 37483125 Structure of the small subunit of the laccase-like Nlac protein from Pleurotus eryngii 2023-06-08 2024-02-07 Aza, P.,Linde, D.,Molpeceres, G.,Vind, J.,Medrano, F.J.,Camarero, S. Role and structure of the small subunit forming heterodimers with laccase-like enzymes. Protein Sci. 2023 32 0 0 8CH0 Crystal structure of an 8-repeat consensus TPR superhelix with Gadolinium. 2023-02-06 2024-02-21 Liutkus, M.,Rojas, A.L.,Cortajarena, A.L. Crystal structure of an 8-repeat consensus TPR superhelix with Gadolinium. To Be Published 0 0 0 0 8CH9 Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenic oxyanion 2023-02-07 2024-02-21 Engrola, F.,Correia, M.A.S.,Romao, M.J.,Santos-Silva, T. Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to arsenic oxyanion To Be Published 0 0 0 0 8CHY Crystal structure of an 8-repeat consensus TPR superhelix with Zinc. 2023-02-08 2024-02-21 Liutkus, M.,Rojas, A.L.,Sasselli, I.R.,Cortajarena, A.L. Diverse crystalline protein scaffolds through metal-dependent polymorphism. To Be Published 0 0 0 0 8CIG Crystal structure of an 8-repeat consensus TPR superhelix in tris Buffer with Calcium. 2023-02-09 2024-02-21 Liutkus, M.,Rojas, A.L.,Sasselli, I.R.,Cortajarena, A.L. Diverse crystalline protein scaffolds through metal-dependent polymorphism. To Be Published 0 0 0 0 8P4G 38227199 Crystal structure of a multicopper oxidase 3F3 variant from Pyrobaculum aerophilum 2023-05-21 2024-02-21 Brissos, V.,Borges, P.T.,Sancho, F.,Lucas, M.F.,Frazao, C.,Conzuelo, F.,Martins, L.O. Flexible active-site loops fine-tune substrate specificity of hyperthermophilic metallo-oxidases. J.Biol.Inorg.Chem. 2024 0 0 0 8CK9 38382807 DyP-type peroxidase from Thermobifida halotolerans 2023-02-14 2024-02-28 Pupart, H.,Lukk, T.,Valjamae, P. Dye-decolorizing peroxidase of Thermobifida halotolerance displays complex kinetics with both substrate inhibition and apparent positive cooperativity. Arch.Biochem.Biophys. 2024 754 109931 109931 8CKR Crystal structure of an 8-repeat consensus TPR superhelix with in Hepes with Ca 2023-02-16 2024-02-28 Liutkus, M.,Sasselli, I.R.,Rojas, A.L.,Cortajarena, A.L. Diverse crystalline protein scaffolds through metal-dependent polymorphism To Be Published 0 0 0 0 8PP8 38374076 Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-scyllo-inositol 1,2,4-trisphosphate/AMP-PNP/Mn 2023-07-07 2024-02-28 Marquez-Monino, M.A.,Ortega-Garcia, R.,Whitfield, H.,Riley, A.M.,Infantes, L.,Garrett, S.W.,Shipton, M.L.,Brearley, C.A.,Potter, B.V.L.,Gonzalez, B. Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun 2024 15 1502 1502 8PP9 38374076 Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with scyllo-inositol 1,2,3,5-tetrakisphosphate/ADP/Mn 2023-07-07 2024-02-28 Marquez-Monino, M.A.,Ortega-Garcia, R.,Whitfield, H.,Riley, A.M.,Infantes, L.,Garrett, S.W.,Shipton, M.L.,Brearley, C.A.,Potter, B.V.L.,Gonzalez, B. Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun 2024 15 1502 1502 8PPA 38374076 Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-myo-inositol 1,4,6-trisphosphate/AMP-PNP/Mn 2023-07-07 2024-02-28 Marquez-Monino, M.A.,Ortega-Garcia, R.,Whitfield, H.,Riley, A.M.,Infantes, L.,Garrett, S.W.,Shipton, M.L.,Brearley, C.A.,Potter, B.V.L.,Gonzalez, B. Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun 2024 15 1502 1502 8PPB 38374076 Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with D-3-deoxy-myo-inositol 1,4,6-trisphosphate/ATP/Mn 2023-07-07 2024-02-28 Marquez-Monino, M.A.,Ortega-Garcia, R.,Whitfield, H.,Riley, A.M.,Infantes, L.,Garrett, S.W.,Shipton, M.L.,Brearley, C.A.,Potter, B.V.L.,Gonzalez, B. Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun 2024 15 1502 1502 8PPC 38374076 Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with L-chiro-inositol 2,3,5-trisphosphate/ATP/Mn 2023-07-07 2024-02-28 Marquez-Monino, M.A.,Ortega-Garcia, R.,Whitfield, H.,Riley, A.M.,Infantes, L.,Garrett, S.W.,Shipton, M.L.,Brearley, C.A.,Potter, B.V.L.,Gonzalez, B. Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun 2024 15 1502 1502 8PPD 38374076 Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-hydroxy-methyl-scyllo-inositol 1,2,4-trisphosphate/ATP/Mn 2023-07-07 2024-02-28 Marquez-Monino, M.A.,Ortega-Garcia, R.,Whitfield, H.,Riley, A.M.,Infantes, L.,Garrett, S.W.,Shipton, M.L.,Brearley, C.A.,Potter, B.V.L.,Gonzalez, B. Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun 2024 15 1502 1502 8PPE 38374076 Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with DL-6-deoxy-6-phosphoryloxymethyl-scyllo-inositol 1,2,4-trisphosphate/ADP/Mn 2023-07-07 2024-02-28 Marquez-Monino, M.A.,Ortega-Garcia, R.,Whitfield, H.,Riley, A.M.,Infantes, L.,Garrett, S.W.,Shipton, M.L.,Brearley, C.A.,Potter, B.V.L.,Gonzalez, B. Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun 2024 15 1502 1502 8PPF 38374076 Human inositol 1,4,5-trisphosphate 3-kinase A (IP3K) catalytic domain in complex with beta-D-glucopyranosyl 1,3,4-trisphosphate/AMP-PNP/Mg 2023-07-07 2024-02-28 Marquez-Monino, M.A.,Ortega-Garcia, R.,Whitfield, H.,Riley, A.M.,Infantes, L.,Garrett, S.W.,Shipton, M.L.,Brearley, C.A.,Potter, B.V.L.,Gonzalez, B. Substrate promiscuity of inositol 1,4,5-trisphosphate kinase driven by structurally-modified ligands and active site plasticity. Nat Commun 2024 15 1502 1502 8CMQ Crystal structure of an 8-repeat consensus TPR superhelix with Tb 2023-02-20 2024-03-06 Liutkus, M.,Rojas, A.L.,Cortajarena, A.L. Crystal structure of an 8-repeat consensus TPR superhelix with Tb To Be Published 0 0 0 0 8PMU Crystal structure of the HC7 apo form 2023-06-29 2024-03-06 Narimatsu, Y.,Bull, C.,Taleb, V.,Liao, Q.,Companon, I.,Sanchez-Navarro, D.,Durbesson, F.,Vincentelli, R.,Hansen, L.,Corzana, F.,Rovira, C.,Henrissat, B.,Clausen, H.,Joshi, H.J.,Hurtado-Guerrero, R. A family of di-glutamate mucin-degrading enzymes that bridges glycan hydrolases and peptidases Nat Catal 2024 0 0 0 8PN3 Crystal structure of the HC7-Glu200Ala mutant complexed to a tetraglycopeptide. 2023-06-29 2024-03-06 Narimatsu, Y.,Bull, C.,Taleb, V.,Liao, Q.,Companon, I.,Sanchez-Navarro, D.,Durbesson, F.,Vincentelli, R.,Hansen, L.,Corzana, F.,Rovira, C.,Henrissat, B.,Clausen, H.,Joshi, H.J.,Hurtado-Guerrero, R. A family of di-glutamate mucin-degrading enzymes that bridges glycan hydrolases and peptidases Nat Catal 2024 0 0 0 8PN5 Crystal structure of the HC7-Glu200Ala mutant complexed to a triglycopeptide 2023-06-29 2024-03-06 Narimatsu, Y.,Bull, C.,Taleb, V.,Liao, Q.,Companon, I.,Sanchez-Navarro, D.,Durbesson, F.,Vincentelli, R.,Hansen, L.,Corzana, F.,Rovira, C.,Henrissat, B.,Clausen, H.,Joshi, H.J.,Hurtado-Guerrero, R. A family of di-glutamate mucin-degrading enzymes that bridges glycan hydrolases and peptidases Nat Catal 2024 0 0 0 8CP8 Crystal structure of an 8-repeat consensus TPR superhelix with Lead 2023-03-02 2024-03-13 Liutkus, M.,Rojas, A.L.,Sasselli, I.R.,Cortajarena, A.L. Diverse crystalline protein scaffolds through metal-dependent polymorphism. To Be Published 0 0 0 0 8CQP Crystal structure of an 8-repeat consensus TPR superhelix with Calcium (low concentration) 2023-03-07 2024-03-27 Liutkus, M.,Rojas, A.L.,Sasselli, I.R.,Cortajarena, A.L. Diverse crystalline protein scaffolds through metal-dependent polymorphism. To Be Published 0 0 0 0 8CQQ Crystal structure of an 8-repeat consensus TPR superhelix with Copper 2023-03-07 2024-03-27 Liutkus, M.,Rojas, A.L.,Sasselli, I.R.,Cortajarena, A.L. Diverse crystalline protein scaffolds through metal-dependent polymorphism. To Be Published 0 0 0 0 8P37 37875114 Structure a catalytically inactive mutant of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803 2023-05-17 2024-03-27 Hernandez-Gomez, A.,Irisarri, I.,Fernandez-Justel, D.,Pelaez, R.,Jimenez, A.,Revuelta, J.L.,Balsera, M.,Buey, R.M. GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution. Structure 2023 31 1526 0 8P4Q 37875114 Structure of the IMP dehydrogenase related protein GUAB3 from Synechocystis PCC 6803 2023-05-23 2024-03-27 Hernandez-Gomez, A.,Irisarri, I.,Fernandez-Justel, D.,Pelaez, R.,Jimenez, A.,Revuelta, J.L.,Balsera, M.,Buey, R.M. GuaB3, an overlooked enzyme in cyanobacteria's toolbox that sheds light on IMP dehydrogenase evolution. Structure 2023 31 1526 0 8PWZ 38501584 Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadBD from Mycobacterium tuberculosis 2023-07-22 2024-03-27 Bories, P.,Rima, J.,Tranier, S.,Marcoux, J.,Grimoire, Y.,Tomaszczyk, M.,Launay, A.,Fata, K.,Marrakchi, H.,Burlet-Schiltz, O.,Mourey, L.,Ducoux-Petit, M.,Bardou, F.,Bon, C.,Quemard, A. HadBD dehydratase from Mycobacterium tuberculosis fatty acid synthase type II: A singular structure for a unique function. Protein Sci. 2024 33 0 0