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J Enzyme Inhib Med Chem 2016 31 40 51 5CIU 26993463 Structural basis of the recognition of H3K36me3 by DNMT3B PWWP domain 2015-07-13 2016-03-30 Rondelet, G.,Dal Maso, T.,Willems, L.,Wouters, J. Structural basis for recognition of histone H3K36me3 nucleosome by human de novo DNA methyltransferases 3A and 3B. J.Struct.Biol. 2016 194 357 367 5CIY 26993463 Structural basis of the recognition of H3K36me3 by DNMT3B PWWP domain 2015-07-13 2016-03-30 Rondelet, G.,Dal Maso, T.,Willems, L.,Wouters, J. Structural basis for recognition of histone H3K36me3 nucleosome by human de novo DNA methyltransferases 3A and 3B. J.Struct.Biol. 2016 194 357 367 5CKB 27026704 E. coli MazF form II 2015-07-15 2016-04-06 Zorzini, V.,Mernik, A.,Lah, J.,Sterckx, Y.G.,De Jonge, N.,Garcia-Pino, A.,De Greve, H.,Versees, W.,Loris, R. Substrate Recognition and Activity Regulation of the Escherichia coli mRNA Endonuclease MazF. J.Biol.Chem. 2016 291 10950 10960 5CQX 27026704 E. coli MazF mutant E24A in complex with MazE residues 68-82 form I 2015-07-22 2016-04-06 Zorzini, V.,Mernik, A.,Lah, J.,Sterckx, Y.G.,De Jonge, N.,Garcia-Pino, A.,De Greve, H.,Versees, W.,Loris, R. Substrate Recognition and Activity Regulation of the Escherichia coli mRNA Endonuclease MazF. J.Biol.Chem. 2016 291 10950 10960 5CQY 27026704 E. coli MazF mutant E24A in complex with MazE residues 68-82 form II 2015-07-22 2016-04-06 Zorzini, V.,Mernik, A.,Lah, J.,Sterckx, Y.G.,De Jonge, N.,Garcia-Pino, A.,De Greve, H.,Versees, W.,Loris, R. Substrate Recognition and Activity Regulation of the Escherichia coli mRNA Endonuclease MazF. J.Biol.Chem. 2016 291 10950 10960 5CR2 27026704 E. coli MazF in complex with single strand DNA substrate analog 2015-07-22 2016-04-06 Zorzini, V.,Mernik, A.,Lah, J.,Sterckx, Y.G.,De Jonge, N.,Garcia-Pino, A.,De Greve, H.,Versees, W.,Loris, R. 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Biochimie 2016 0 20 33 5EJY 27166421 Structure of Dictyostelium Discoideum Myosin VII MyTH4-FERM MF1 domain 2015-11-02 2016-07-06 Planelles-Herrero, V.J.,Blanc, F.,Sirigu, S.,Sirkia, H.,Clause, J.,Sourigues, Y.,Johnsrud, D.O.,Amigues, B.,Cecchini, M.,Gilbert, S.P.,Houdusse, A.,Titus, M.A. Myosin MyTH4-FERM structures highlight important principles of convergent evolution. Proc.Natl.Acad.Sci.USA 2016 113 0 0 5I4O 27356908 Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate zinc-chelator water-soluble inhibitor (DC28). 2016-02-12 2016-07-06 Nuti, E.,Cuffaro, D.,D'Andrea, F.,Rosalia, L.,Tepshi, L.,Fabbi, M.,Carbotti, G.,Ferrini, S.,Santamaria, S.,Camodeca, C.,Ciccone, L.,Orlandini, E.,Nencetti, S.,Stura, E.A.,Dive, V.,Rossello, A. Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. Chemmedchem 2016 11 1626 1637 5LCV 27338953 Structural basis of Zika and Dengue virus potent antibody cross-neutralization 2016-06-22 2016-07-06 Barba-Spaeth, G.,Dejnirattisai, W.,Rouvinski, A.,Vaney, M.C.,Medits, I.,Sharma, A.,Simon-Loriere, E.,Sakuntabhai, A.,Cao-Lormeau, V.M.,Haouz, A.,England, P.,Stiasny, K.,Mongkolsapaya, J.,Heinz, F.X.,Screaton, G.R.,Rey, F.A. Structural basis of potent Zika-dengue virus antibody cross-neutralization. Nature 2016 536 48 53 5K1J 27402536 Human TTR altered by a rhenium tris-carbonyl Pyta-C8 derivative 2016-05-18 2016-07-20 Ciccone, L.,Policar, C.,Stura, E.A.,Shepard, W. Human TTR conformation altered by rhenium tris-carbonyl derivatives. J.Struct.Biol. 2016 195 353 364 5K1N 27402536 Human TTR altered by a rhenium tris-carbonyl Pyta-C12 derivative 2016-05-18 2016-07-20 Ciccone, L.,Policar, C.,Stura, E.A.,Shepard, W. Human TTR conformation altered by rhenium tris-carbonyl derivatives. J.Struct.Biol. 2016 195 353 364 5CZM 27996256 Crystal structure of a mutated catalytic domain of Human MMP12 in complex with RXP470 2015-07-31 2016-08-10 Rouanet-Mehouas, C.,Czarny, B.,Beau, F.,Cassar-Lajeunesse, E.,Stura, E.A.,Dive, V.,Devel, L. Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity. J. Med. Chem. 2017 60 403 414 5D2B 27996256 Crystal structure of a mutated catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470 2015-08-05 2016-08-17 Rouanet-Mehouas, C.,Czarny, B.,Beau, F.,Cassar-Lajeunesse, E.,Stura, E.A.,Dive, V.,Devel, L. Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity. J. Med. 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Molecular Insights into the Mechanism of Calmodulin Inhibition of the EAG1 Potassium Channel. Structure 2016 24 1742 1754 5HJN 27669036 Crystal structure of the TBC domain of Skywalker/TBC1D24 from Drosophila melanogaster 2016-01-13 2016-09-21 Fischer, B.,Luthy, K.,Paesmans, J.,De Koninck, C.,Maes, I.,Swerts, J.,Kuenen, S.,Uytterhoeven, V.,Verstreken, P.,Versees, W. Skywalker-TBC1D24 has a lipid-binding pocket mutated in epilepsy and required for synaptic function. Nat.Struct.Mol.Biol. 2016 23 965 973 5L9L 27609514 Crystal structure of the PBP MotA from A. tumefaciens B6 in complex with glucopine 2016-06-10 2016-09-21 Marty, L.,Vigouroux, A.,Aumont-Nicaise, M.,Dessaux, Y.,Faure, D.,Morera, S. Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens. 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To Be Published 0 0 0 0 5LON 27694841 Structure of /K. lactis/ Dcp1-Dcp2 decapping complex. 2016-08-09 2016-10-05 Charenton, C.,Taverniti, V.,Gaudon-Plesse, C.,Back, R.,Seraphin, B.,Graille, M. Structure of the active form of Dcp1-Dcp2 decapping enzyme bound to m(7)GDP and its Edc3 activator. Nat.Struct.Mol.Biol. 2016 23 982 986 5EHG 27750202 DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF341 2015-10-28 2016-10-26 Benmansour, F.,Trist, I.,Coutard, B.,Decroly, E.,Querat, G.,Brancale, A.,Barral, K. Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design. Eur.J.Med.Chem. 2016 125 865 880 5FUB 27879050 Crystal Structure of zebrafish Protein Arginine Methyltransferase 2 catalytic domain with SAH 2016-01-22 2016-11-09 Cura, V.,Marechal, N.,Troffer-Charlier, N.,Strub, J.M.,van Haren, M.J.,Martin, N.I.,Cianferani, S.,Bonnefond, L.,Cavarelli, J. Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors. FEBS J. 2017 284 77 96 5K8V 27879050 Crystal Structure of Mus musculus Protein Arginine Methyltransferase 4 (CARM1 130-487) with CP1 2016-05-31 2016-11-09 Cura, V.,Marechal, N.,Troffer-Charlier, N.,Strub, J.M.,van Haren, M.J.,Martin, N.I.,Cianferani, S.,Bonnefond, L.,Cavarelli, J. Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors. FEBS J. 2017 284 77 96 5HJL Crystal structure of class I tagatose 1,6-bisphosphate aldolase LacD from Streptococcus porcinus 2016-01-13 2016-12-07 Freichels, R.,Delmarcelle, M.,Van der Heiden, E.,Herman, R.,Colarusso, A.,Wathelet, B.,Kerff, F.,Galleni, M. Structure and Characterization of a new class I Tagatose-1,6-bipshosphate aldolase from Streptococcus porcinus : switch in specificity directed by an Arginine To Be Published 0 0 0 0 5IUJ 27938660 Crystal structure of the DesK-DesR complex in the phosphotransfer state with low Mg2+ (20 mM) 2016-03-18 2016-12-21 Trajtenberg, F.,Imelio, J.A.,Machado, M.R.,Larrieux, N.,Marti, M.A.,Obal, G.,Mechaly, A.E.,Buschiazzo, A. Regulation of signaling directionality revealed by 3D snapshots of a kinase:regulator complex in action. Elife 2016 5 0 0 5FQN Crystal structure of M. musculus protein arginine methyltransferase PRMT6 with SAH at 1.65 Angstroms 2015-12-14 2017-01-18 Bonnefond, L.,Cura, V.,Troffer-Charlier, N.,Cavarelli, J. Crystal Strcutures of Prmt6 in Complex with Sah in Alternative Conformations To be Published 0 0 0 0 5LTW 28089448 Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 2016-09-07 2017-02-01 Sluchanko, N.N.,Beelen, S.,Kulikova, A.A.,Weeks, S.D.,Antson, A.A.,Gusev, N.B.,Strelkov, S.V. Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator. Structure 2017 25 305 316 5LTW 28089448 Complex of human 14-3-3 sigma CLU1 mutant with phosphorylated heat shock protein B6 2016-09-07 2017-02-01 Sluchanko, N.N.,Beelen, S.,Kulikova, A.A.,Weeks, S.D.,Antson, A.A.,Gusev, N.B.,Strelkov, S.V. Structural Basis for the Interaction of a Human Small Heat Shock Protein with the 14-3-3 Universal Signaling Regulator. 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Brain 2019 142 2319 2335 6H2V 31328227 Crystal structure of human METTL5-TRMT112 complex, the 18S rRNA m6A1832 methyltransferase at 2.5A resolution 2018-07-16 2019-07-31 van Tran, N.,Ernst, F.G.M.,Hawley, B.R.,Zorbas, C.,Ulryck, N.,Hackert, P.,Bohnsack, K.E.,Bohnsack, M.T.,Jaffrey, S.R.,Graille, M.,Lafontaine, D.L.J. The human 18S rRNA m6A methyltransferase METTL5 is stabilized by TRMT112. Nucleic Acids Res. 2019 47 7719 7733 6R44 31318478 Structure of the SBP FpvC in complex with Ni2+ ion from P.aeruginosa from P21 space group 2019-03-21 2019-07-31 Vigouroux, A.,Aumont-Nicaise, M.,Boussac, A.,Marty, L.,Lo Bello, L.,Legrand, P.,Brillet, K.,Schalk, I.J.,Morera, S. A unique ferrous iron binding mode is associated with large conformational changes for the transport protein FpvC of Pseudomonas aeruginosa. Febs J. 2020 287 295 309 6R6K 31318478 Structure of a FpvC mutant from pseudomonas aeruginosa 2019-03-27 2019-07-31 Vigouroux, A.,Aumont-Nicaise, M.,Boussac, A.,Marty, L.,Lo Bello, L.,Legrand, P.,Brillet, K.,Schalk, I.J.,Morera, S. A unique ferrous iron binding mode is associated with large conformational changes for the transport protein FpvC of Pseudomonas aeruginosa. Febs J. 2020 287 295 309 6RU4 31318478 Structure of the SBP FpvC from pseudomonas aeruginosa in complex with Mn2+ 2019-05-27 2019-07-31 Vigouroux, A.,Aumont-Nicaise, M.,Boussac, A.,Marty, L.,Lo Bello, L.,Legrand, P.,Brillet, K.,Schalk, I.J.,Morera, S. A unique ferrous iron binding mode is associated with large conformational changes for the transport protein FpvC of Pseudomonas aeruginosa. Febs J. 2020 287 295 309 6I7E 31337750 Plasmodium falciparum Myosin A, Pre-powerstroke 2018-11-16 2019-08-07 Robert-Paganin, J.,Robblee, J.P.,Auguin, D.,Blake, T.C.A.,Bookwalter, C.S.,Krementsova, E.B.,Moussaoui, D.,Previs, M.J.,Jousset, G.,Baum, J.,Trybus, K.M.,Houdusse, A. Plasmodium myosin A drives parasite invasion by an atypical force generating mechanism. Nat Commun 2019 10 3286 3286 6H7T 31604773 Native structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12 2018-07-31 2019-08-14 Turbe-Doan, A.,Record, E.,Lombard, V.,Kumar, R.,Henrissat, B.,Levasseur, A.,Garron, M.L. The functional and structural characterization of Trichoderma reesei dehydrogenase belonging to the PQQ dependent family of Carbohydrate-Active Enzymes Family AA12. Appl.Environ.Microbiol. 2019 0 0 0 6AC6 Ab initio crystal structure of Selenomethionine labelled Mycobacterium smegmatis Mfd 2018-07-25 2019-08-28 Putta, S.,Prabha, S.,Bhat, V.,Fox, G.C.,Walsh, M.A.,Rao, D.N.,Nagaraja, V.,Natesh, R. Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd To Be Published 0 0 0 0 6HB8 Crystal structure of OXA-517 beta-lactamase 2018-08-09 2019-08-28 Dabos, L.,Raczynska, J.E.,Bogaerts, P.,Zavala, A.,Bonnin, R.A.,Peyrat, A.,Retailleau, P.,Iorga, B.,Jaskolski, M.,Glupczynski, Y.,Naas, T. Genetic, biochemical and structural characterization of OXA-517, an OXA-48-like extended-spectrum cephalosporins and carbapenems-hydrolyzing beta-lactamase To Be Published 0 0 0 0 6HDU 31552791 Crystal structure of human Rab38 in complex with GTP 2018-08-19 2019-08-28 McGrath, E.,Waschbusch, D.,Baker, B.M.,Khan, A.R. LRRK2 binds to the Rab32 subfamily in a GTP-dependent mannerviaits armadillo domain. Small GTPases 2019 0 1 14 6HJB 32627739 Xray structure of GLIC in complex with malonate 2018-09-03 2019-09-18 Fourati, Z.,Sauguet, L.,Delarue, M. Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel. Acta Crystallogr D Struct Biol 2020 76 668 675 6HZX 31257622 Protein-aromatic foldamer complex crystal structure 2018-10-24 2019-09-18 Reddy, P.S.,Langlois d'Estaintot, B.,Granier, T.,Mackereth, C.D.,Fischer, L.,Huc, I. Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas. Chemistry 2019 25 11042 11047 6Q9T 31257622 Protein-aromatic foldamer complex crystal structure 2018-12-18 2019-09-18 Reddy, P.S.,Langlois d'Estaintot, B.,Granier, T.,Mackereth, C.D.,Fischer, L.,Huc, I. Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas. Chemistry 2019 25 11042 11047 6RSI 31490058 cytochrome c co-crystallized with 25 eq. sulfonato-calix[8]arene - structure 0 2019-05-21 2019-09-18 Engilberge, S.,Rennie, M.L.,Dumont, E.,Crowley, P.B. Tuning Protein Frameworks via Auxiliary Supramolecular Interactions. Acs Nano 2019 13 10343 10350 6RSJ 31490058 Cytochrome c co-crystallized with 20 eq. sulfonato-calix[8]arene and soaked with 25 eq. spermine - structure I 2019-05-21 2019-09-18 Engilberge, S.,Rennie, M.L.,Dumont, E.,Crowley, P.B. Tuning Protein Frameworks via Auxiliary Supramolecular Interactions. Acs Nano 2019 13 10343 10350 6RSK 31490058 Cytochrome c co-crystallized with 20 eq. sulfonato-calix[8]arene and 15 eq. spermine - structure II 2019-05-21 2019-09-18 Engilberge, S.,Rennie, M.L.,Dumont, E.,Crowley, P.B. Tuning Protein Frameworks via Auxiliary Supramolecular Interactions. Acs Nano 2019 13 10343 10350 6RSL 31490058 Cytochrome c co-crystallized with 10 eq. sulfonato-calix[8]arene and 25 eq. spermine (dry-coating method) - structure III 2019-05-21 2019-09-18 Engilberge, S.,Rennie, M.L.,Dumont, E.,Crowley, P.B. Tuning Protein Frameworks via Auxiliary Supramolecular Interactions. Acs Nano 2019 13 10343 10350 6S8Y 31460523 Crystal structure of cytochrome c in complex with a sulfonated quinoline-derived foldamer 2019-07-10 2019-09-25 Alex, J.M.,Corvaglia, V.,Hu, X.,Engilberge, S.,Huc, I.,Crowley, P.B. Crystal structure of a protein-aromatic foldamer composite: macromolecular chiral resolution. Chem.Commun.(Camb.) 2019 55 11087 11090 6SFC 31525019 EED in complex with a methyl-thiazole 2019-08-01 2019-09-25 Read, J.A.,Tart, J.,Rawlins, P.B.,Gregson, C.,Jones, K.,Gao, N.,Zhu, X.,Tomlinson, R.,Code, E.,Cheung, T.,Chen, H.,Kawatkar, S.P.,Bloecher, A.,Bagal, S.,O'Donovan, D.H.,Robinson, J. Rapid Identification of Novel Allosteric PRC2 Inhibitors. Acs Chem.Biol. 2019 14 2134 2140 6IGS Crystal structure of HPRT from F. tularensis with Zinc 2018-09-25 2019-10-02 Pavithra, G.C.,Ramagopal, U.A. Crystal structure of hypoxanthine phosphoribosyltransferase from Francisella tularensis To be published 0 0 0 0 6QSK 31604945 Crystal structure of a nucleotide sugar transporter with bound nucleotide monophosphate. 2019-02-21 2019-10-02 Parker, J.L.,Corey, R.A.,Stansfeld, P.J.,Newstead, S. Structural basis for substrate specificity and regulation of nucleotide sugar transporters in the lipid bilayer. Nat Commun 2019 10 4657 4657 6AA0 31702585 Crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in Apo Form 2018-07-16 2019-10-23 Mishra, S.,Malhotra, N.,Kumari, S.,Sato, M.,Kikuchi, H.,Yogavel, M.,Sharma, A. Conformational heterogeneity in apo and drug-bound structures of Toxoplasma gondii prolyl-tRNA synthetase. 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CRYSTAL STRUCTURE OF CMY-OXA-427-HisTag BETA-LACTAMASE To be published 0 0 0 0 6HUH CRYSTAL STRUCTURE OF OXA-427 class D BETA-LACTAMASE 2018-10-08 2019-10-30 Zavala, A.,Naas, T.,Bogaerts, P.,Glupczynski, Y.,Retailleau, P.,Iorga, B.I. CRYSTAL STRUCTURE OF CMY-OXA-427-HisTag BETA-LACTAMASE To be published 0 0 0 0 6Q4N 31881208 Fusidic acid bound AcrB_V340A 2018-12-06 2019-11-13 Tam, H.K.,Malviya, V.N.,Foong, W.E.,Herrmann, A.,Malloci, G.,Ruggerone, P.,Vargiu, A.V.,Pos, K.M. Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB. J.Mol.Biol. 2020 432 861 877 6Q4O 31881208 Fusidic acid bound AcrB_I27A 2018-12-06 2019-11-13 Tam, H.K.,Malviya, V.N.,Foong, W.E.,Herrmann, A.,Malloci, G.,Ruggerone, P.,Vargiu, A.V.,Pos, K.M. Binding and Transport of Carboxylated Drugs by the Multidrug Transporter AcrB. J.Mol.Biol. 2020 432 861 877 6RX1 31711961 Crystal structure of human syncytin 1 in post-fusion conformation 2019-06-07 2019-11-20 Ruigrok, K.,Vaney, M.C.,Buchrieser, J.,Baquero, E.,Hellert, J.,Baron, B.,England, P.,Schwartz, O.,Rey, F.A.,Backovic, M. X-ray Structures of the Post-fusion 6-Helix Bundle of the Human Syncytins and their Functional Implications. J.Mol.Biol. 2019 431 4922 4940 6RX3 31711961 Crystal structure of human syncytin 2 in post-fusion conformation 2019-06-07 2019-11-20 Ruigrok, K.,Vaney, M.C.,Buchrieser, J.,Baquero, E.,Hellert, J.,Baron, B.,England, P.,Schwartz, O.,Rey, F.A.,Backovic, M. X-ray Structures of the Post-fusion 6-Helix Bundle of the Human Syncytins and their Functional Implications. J.Mol.Biol. 2019 431 4922 4940 6H17 31757955 Myxococcus xanthus MglA bound to GTPgammaS 2018-07-11 2019-11-27 Galicia, C.,Lhospice, S.,Varela, P.F.,Trapani, S.,Zhang, W.,Navaza, J.,Herrou, J.,Mignot, T.,Cherfils, J. 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Front Mol Biosci 2022 9 958586 958586 7ZZN 36032685 Crystal structure of poplar glutathione transferase U20 2022-05-25 2022-07-20 Sylvestre-Gonon, E.,Morette, L.,Viloria, M.,Mathiot, S.,Boutilliat, A.,Favier, F.,Rouhier, N.,Didierjean, C.,Hecker, A. Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids. Front Mol Biosci 2022 9 958586 958586 8A08 36032685 Crystal structure of poplar glutathione transferase U20 in complex with glutathione 2022-05-27 2022-07-20 Sylvestre-Gonon, E.,Morette, L.,Viloria, M.,Mathiot, S.,Boutilliat, A.,Favier, F.,Rouhier, N.,Didierjean, C.,Hecker, A. Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids. Front Mol Biosci 2022 9 958586 958586 8A0I 36032685 Crystal structure of poplar glutathione transferase U20 in complex with glutathionylphenylacetophenone 2022-05-27 2022-07-20 Sylvestre-Gonon, E.,Morette, L.,Viloria, M.,Mathiot, S.,Boutilliat, A.,Favier, F.,Rouhier, N.,Didierjean, C.,Hecker, A. Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids. Front Mol Biosci 2022 9 958586 958586 8A0P 36032685 Crystal structure of poplar glutathione transferase U20 in complex with morin 2022-05-30 2022-07-20 Sylvestre-Gonon, E.,Morette, L.,Viloria, M.,Mathiot, S.,Boutilliat, A.,Favier, F.,Rouhier, N.,Didierjean, C.,Hecker, A. Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids. Front Mol Biosci 2022 9 958586 958586 8A66 Crystal structure of MST2 in complex with XMU-MP-1 2022-06-16 2022-07-20 Weber, C.,Vuillard, L.,Delerive, P.,Miallau, L.,Nawrotek, A. Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879 To Be Published 0 0 0 0 7P73 36115835 The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1 2021-07-19 2022-07-27 Gogl, G.,Zambo, B.,Kostmann, C.,Cousido-Siah, A.,Morlet, B.,Durbesson, F.,Negroni, L.,Eberling, P.,Jane, P.,Nomine, Y.,Zeke, A.,Ostergaard, S.,Monsellier, E.,Vincentelli, R.,Trave, G. Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun 2022 13 5472 5472 7P74 36115835 The PDZ domain of SYNJ2BP complexed with the phosphorylated PDZ-binding motif of RSK1 2021-07-19 2022-07-27 Gogl, G.,Zambo, B.,Kostmann, C.,Cousido-Siah, A.,Morlet, B.,Durbesson, F.,Negroni, L.,Eberling, P.,Jane, P.,Nomine, Y.,Zeke, A.,Ostergaard, S.,Monsellier, E.,Vincentelli, R.,Trave, G. Quantitative fragmentomics allow affinity mapping of interactomes. Nat Commun 2022 13 5472 5472 7OA4 Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound L-742,001 2021-04-19 2022-08-03 Feracci, M.,Hernandez, S.,Vincentelli, R.,Ferron, F.,Reguera, J.,Canard, B.,Alvarez, K. Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound L-742,001 To Be Published 0 0 0 0 7P8L 36300625 Crystal structure of Pyrococcus abyssi 8-oxoguanine DNA glycosylase (PabAGOG) in complex with dsDNA containing cytosine opposite to 8-oxoG 2021-07-23 2022-08-03 Franck, C.,Stephane, G.,Julien, C.,Virginie, G.,Martine, G.,Norbert, G.,Fabrice, C.,Didier, F.,Josef, S.M.,Bertrand, C. Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing. Nucleic Acids Res. 2022 50 11072 11092 7P9Z 36300625 Crystal structure of a trapped Pab-AGOG/double-standed DNA covalent intermediate (DNA containing adenine opposite to lesion) 2021-07-28 2022-08-10 Franck, C.,Stephane, G.,Julien, C.,Virginie, G.,Martine, G.,Norbert, G.,Fabrice, C.,Didier, F.,Josef, S.M.,Bertrand, C. Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing. Nucleic Acids Res. 2022 50 11072 11092 7PSZ 35945584 Crystal structure of CaM in complex with CDZ (form 1) 2021-09-24 2022-08-17 Leger, C.,Pitard, I.,Sadi, M.,Carvalho, N.,Brier, S.,Mechaly, A.,Raoux-Barbot, D.,Davi, M.,Hoos, S.,Weber, P.,Vachette, P.,Durand, D.,Haouz, A.,Guijarro, J.I.,Ladant, D.,Chenal, A. Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium. Bmc Biol. 2022 20 176 176 7NTY 36038645 Crystal Structure of Neisseria gonorrhoeae LeuRS L550A mutant 2021-03-11 2022-08-31 Pang, L.,Zanki, V.,Strelkov, S.V.,Van Aerschot, A.,Gruic-Sovulj, I.,Weeks, S.D. Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol 2022 5 883 883 7NTZ 36038645 Crystal Structure of Neisseria gonorrhoeae LeuRS L550A mutant in Complex with the Reaction Intermediate Leu-AMP 2021-03-11 2022-08-31 Pang, L.,Zanki, V.,Strelkov, S.V.,Van Aerschot, A.,Gruic-Sovulj, I.,Weeks, S.D. Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol 2022 5 883 883 7NU1 36038645 Crystal Structure of Neisseria gonorrhoeae LeuRS E169G mutant 2021-03-11 2022-08-31 Pang, L.,Zanki, V.,Strelkov, S.V.,Van Aerschot, A.,Gruic-Sovulj, I.,Weeks, S.D. Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol 2022 5 883 883 7NU2 36038645 Crystal Structure of Neisseria gonorrhoeae LeuRS E169G mutant in Complex with the Reaction Intermediate Leu-AMP 2021-03-11 2022-08-31 Pang, L.,Zanki, V.,Strelkov, S.V.,Van Aerschot, A.,Gruic-Sovulj, I.,Weeks, S.D. Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol 2022 5 883 883 7NU3 36038645 Crystal Structure of Neisseria gonorrhoeae LeuRS E169G mutant in Complex with ATP and L-leucinol 2021-03-11 2022-08-31 Pang, L.,Zanki, V.,Strelkov, S.V.,Van Aerschot, A.,Gruic-Sovulj, I.,Weeks, S.D. Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol 2022 5 883 883 7NU8 36038645 Crystal Structure of Neisseria gonorrhoeae LeuRS in Complex with the Reaction Intermediate Leu-AMP 2021-03-11 2022-08-31 Pang, L.,Zanki, V.,Strelkov, S.V.,Van Aerschot, A.,Gruic-Sovulj, I.,Weeks, S.D. Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol 2022 5 883 883 7NUA 36038645 Crystal Structure of Neisseria gonorrhoeae LeuRS L550G mutant 2021-03-11 2022-08-31 Pang, L.,Zanki, V.,Strelkov, S.V.,Van Aerschot, A.,Gruic-Sovulj, I.,Weeks, S.D. Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip. Commun Biol 2022 5 883 883 7PKA Synechocystis sp. PCC6803 glutathione transferase Chi 1, GSOH bound 2021-08-25 2022-09-07 Mocchetti, E.,Hecker, A.,Mathiot, S.,Favier, F.,Cassier-Chauvat, C.,Chauvat, F.,Didierjean, C. Structure and functions of glutathione transferase Chi 1 from cyanobacterium Synechocystis sp. PCC 6803 To Be Published 0 0 0 0 7PKW Crystal structure of VIRB8-like OrfG central and C-terminal domains of Streptococcus thermophilus ICESt3 (Gram positive conjugative type IV secretion system). 2021-08-27 2022-09-07 Favier, F.,Didierjean, C.,Cappele, J.,Douzi, B.,Leblond-Bourget, N. Crystal structure of VIRB8-like OrfG central and C-terminal domains of Streptococcus thermophilus ICESt3 (Gram positive conjugative type IV secretion system). To Be Published 0 0 0 0 7V9D Plasmodium falciparum Prolyl-tRNA Synthetase (PfPRS) in Complex with inhibitor L95 and azetidine 2021-08-24 2022-09-07 Manickam, Y.,Malhotra, N.,Sharma, A. Plasmodium falciparum Prolyl-tRNA Synthetase (PfPRS) in Complex with inhibitor L95 and azetidine To Be Published 0 0 0 0 7VC2 36854028 Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L96 and L-proline in space group P21 2021-09-01 2022-09-07 Yogavel, M.,Bougdour, A.,Mishra, S.,Malhotra, N.,Chhibber-Goel, J.,Bellini, V.,Harlos, K.,Laleu, B.,Hakimi, M.A.,Sharma, A. Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog. 2023 19 0 0 7QE3 36097056 Se-M variant of B-trefoil lectin from Salpingoeca rosetta in complex with GalNAc 2021-12-01 2022-09-14 Notova, S.,Bonnardel, F.,Rosato, F.,Siukstaite, L.,Schwaiger, J.,Lim, J.H.,Bovin, N.,Varrot, A.,Ogawa, Y.,Romer, W.,Lisacek, F.,Imberty, A. The choanoflagellate pore-forming lectin SaroL-1 punches holes in cancer cells by targeting the tumor-related glycosphingolipid Gb3. Commun Biol 2022 5 954 954 8ASN Crystal structure of the apo human TTL in complex with tubulin-stathmin 2022-08-19 2022-09-21 Vuillard, L.,Miallau, L. Crystal structure of the apo human TTL in complex with tubulin-stathmin To Be Published 0 0 0 0 7FAM 36854028 Co-crystal Structure of Toxoplasma gondii Prolyl tRNA Synthetase (TgPRS) in complex with L97 and L-pro 2021-07-06 2022-09-28 Yogavel, M.,Bougdour, A.,Mishra, S.,Malhotra, N.,Chhibber-Goel, J.,Bellini, V.,Harlos, K.,Laleu, B.,Hakimi, M.A.,Sharma, A. Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog. 2023 19 0 0 7Q15 36241613 Crystal structure of FcRn and beta-2-microglobulin in complex with IgG1-Fc-MST-HN (efgartigimod) 2021-10-18 2022-09-28 Brinkhaus, M.,Pannecoucke, E.,van der Kooi, E.J.,Bentlage, A.E.H.,Derksen, N.I.L.,Andries, J.,Balbino, B.,Sips, M.,Ulrichts, P.,Verheesen, P.,de Haard, H.,Rispens, T.,Savvides, S.N.,Vidarsson, G. The Fab region of IgG impairs the internalization pathway of FcRn upon Fc engagement. Nat Commun 2022 13 6073 6073 7Z05 36265859 White Bream virus N7-Methyltransferase 2022-02-22 2022-09-28 Shannon, A.,Sama, B.,Gauffre, P.,Guez, T.,Debart, F.,Vasseur, J.J.,Decroly, E.,Canard, B.,Ferron, F. A second type of N7-guanine RNA cap methyltransferase in an unusual locus of a large RNA virus genome. Nucleic Acids Res. 2022 50 11186 11198 7ZJT 36197115 Crystal structure of HsaD from Mycobacterium tuberculosis at 1.96 A resolution 2022-04-11 2022-09-28 Barelier, S.,Avellan, R.,Gnawali, G.R.,Fourquet, P.,Roig-Zamboni, V.,Poncin, I.,Point, V.,Bourne, Y.,Audebert, S.,Camoin, L.,Spilling, C.D.,Canaan, S.,Cavalier, J.F.,Sulzenbacher, G. Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis. Febs J. 2023 290 1563 1582 7ZM1 36197115 Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC7b 2022-04-19 2022-09-28 Barelier, S.,Avellan, R.,Gnawali, G.R.,Fourquet, P.,Roig-Zamboni, V.,Poncin, I.,Point, V.,Bourne, Y.,Audebert, S.,Camoin, L.,Spilling, C.D.,Canaan, S.,Cavalier, J.F.,Sulzenbacher, G. Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis. Febs J. 2023 290 1563 1582 7ZM2 36197115 Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC8b 2022-04-19 2022-09-28 Barelier, S.,Avellan, R.,Gnawali, G.R.,Fourquet, P.,Roig-Zamboni, V.,Poncin, I.,Point, V.,Bourne, Y.,Audebert, S.,Camoin, L.,Spilling, C.D.,Canaan, S.,Cavalier, J.F.,Sulzenbacher, G. Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis. Febs J. 2023 290 1563 1582 7ZM3 36197115 Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclipostin-like inhibitor CyC17 2022-04-19 2022-09-28 Barelier, S.,Avellan, R.,Gnawali, G.R.,Fourquet, P.,Roig-Zamboni, V.,Poncin, I.,Point, V.,Bourne, Y.,Audebert, S.,Camoin, L.,Spilling, C.D.,Canaan, S.,Cavalier, J.F.,Sulzenbacher, G. Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis. Febs J. 2023 290 1563 1582 7F98 36854028 Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 2021-07-04 2022-10-05 Yogavel, M.,Bougdour, A.,Mishra, S.,Malhotra, N.,Chhibber-Goel, J.,Bellini, V.,Harlos, K.,Laleu, B.,Hakimi, M.A.,Sharma, A. Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog. 2023 19 0 0 7F9A 36854028 Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L97 2021-07-04 2022-10-05 Yogavel, M.,Bougdour, A.,Mishra, S.,Malhotra, N.,Chhibber-Goel, J.,Bellini, V.,Harlos, K.,Laleu, B.,Hakimi, M.A.,Sharma, A. Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog. 2023 19 0 0 7F9B 36854028 Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95 2021-07-04 2022-10-05 Yogavel, M.,Bougdour, A.,Mishra, S.,Malhotra, N.,Chhibber-Goel, J.,Bellini, V.,Harlos, K.,Laleu, B.,Hakimi, M.A.,Sharma, A. Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog. 2023 19 0 0 7F9D 36854028 Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96 2021-07-04 2022-10-05 Yogavel, M.,Bougdour, A.,Mishra, S.,Malhotra, N.,Chhibber-Goel, J.,Bellini, V.,Harlos, K.,Laleu, B.,Hakimi, M.A.,Sharma, A. Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis. Plos Pathog. 2023 19 0 0 7QI8 36220877 CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR 2021-12-14 2022-10-19 Green, S.R.,Davis, S.H.,Damerow, S.,Engelhart, C.A.,Mathieson, M.,Baragana, B.,Robinson, D.A.,Tamjar, J.,Dawson, A.,Tamaki, F.K.,Buchanan, K.I.,Post, J.,Dowers, K.,Shepherd, S.M.,Jansen, C.,Zuccotto, F.,Gilbert, I.H.,Epemolu, O.,Riley, J.,Stojanovski, L.,Osuna-Cabello, M.,Perez-Herran, E.,Rebollo, M.J.,Guijarro Lopez, L.,Casado Castro, P.,Camino, I.,Kim, H.C.,Bean, J.M.,Nahiyaan, N.,Rhee, K.Y.,Wang, Q.,Tan, V.Y.,Boshoff, H.I.M.,Converse, P.J.,Li, S.Y.,Chang, Y.S.,Fotouhi, N.,Upton, A.M.,Nuermberger, E.L.,Schnappinger, D.,Read, K.D.,Encinas, L.,Bates, R.H.,Wyatt, P.G.,Cleghorn, L.A.T. Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs. Nat Commun 2022 13 5992 5992 7Z5Z 36350642 CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE 2022-03-10 2022-10-26 Rietmeyer, L.,Li De La Sierra-Gallay, I.,Schepers, G.,Dorchene, D.,Iannazzo, L.,Patin, D.,Touze, T.,van Tilbeurgh, H.,Herdewijn, P.,Etheve-Quelquejeu, M.,Fonvielle, M. Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis. Nucleic Acids Res. 2022 50 11415 11425 7Z6A 36350642 CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE 2022-03-11 2022-10-26 Rietmeyer, L.,Li De La Sierra-Gallay, I.,Schepers, G.,Dorchene, D.,Iannazzo, L.,Patin, D.,Touze, T.,van Tilbeurgh, H.,Herdewijn, P.,Etheve-Quelquejeu, M.,Fonvielle, M. Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis. Nucleic Acids Res. 2022 50 11415 11425 7Z6K 36350642 CRYSTAL STRUCTURE OF WEISSELLA VIRIDESCENS FEMXVV NON-RIBOSOMAL AMINO ACID TRANSFERASE IN COMPLEX WITH A PEPTIDYL-XNA CONJUGATE 2022-03-11 2022-10-26 Rietmeyer, L.,Li De La Sierra-Gallay, I.,Schepers, G.,Dorchene, D.,Iannazzo, L.,Patin, D.,Touze, T.,van Tilbeurgh, H.,Herdewijn, P.,Etheve-Quelquejeu, M.,Fonvielle, M. Amino-acyl tXNA as inhibitors or amino acid donors in peptide synthesis. Nucleic Acids Res. 2022 50 11415 11425 8AIJ 36256875 STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PAO1 IN COMPLEX WITH N-(alpha-L-Fucopyranosyl)benzamide (6) 2022-07-26 2022-11-02 Mala, P.,Siebs, E.,Meiers, J.,Rox, K.,Varrot, A.,Imberty, A.,Titz, A. Discovery of N -beta-l-Fucosyl Amides as High-Affinity Ligands for the Pseudomonas aeruginosa Lectin LecB. J.Med.Chem. 2022 65 14180 14200 8AQM 36270630 Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 6a) 2022-08-12 2022-11-09 Orsi, D.L.,Pook, E.,Brauer, N.,Friberg, A.,Lienau, P.,Lemke, C.T.,Stellfeld, T.,Bruggemeier, U.,Putter, V.,Meyer, H.,Baco, M.,Tang, S.,Cherniack, A.D.,Westlake, L.,Bender, S.A.,Kocak, M.,Strathdee, C.A.,Meyerson, M.,Eis, K.,Goldstein, J.T. Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem. 2022 65 14843 14863 8AQN 36270630 Crystal structure of PPARG and NCOR2 with BAY-4931, an inverse agonist (compound 6c) 2022-08-12 2022-11-09 Orsi, D.L.,Pook, E.,Brauer, N.,Friberg, A.,Lienau, P.,Lemke, C.T.,Stellfeld, T.,Bruggemeier, U.,Putter, V.,Meyer, H.,Baco, M.,Tang, S.,Cherniack, A.D.,Westlake, L.,Bender, S.A.,Kocak, M.,Strathdee, C.A.,Meyerson, M.,Eis, K.,Goldstein, J.T. Discovery and Structure-Based Design of Potent Covalent PPAR gamma Inverse-Agonists BAY-4931 and BAY-0069 . J.Med.Chem. 2022 65 14843 14863 7Q1M 36696766 Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide 2021-10-20 2022-11-16 Panek, D.,Pasieka, A.,Latacz, G.,Zareba, P.,Szczech, M.,Godyn, J.,Chantegreil, F.,Nachon, F.,Brazzolotto, X.,Skrzypczak-Wiercioch, A.,Walczak, M.,Smolik, M.,Salat, K.,Hofner, G.,Wanner, K.,Wieckowska, A.,Malawska, B. Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem. 2023 249 115135 115135 7Q3Q Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing nanobody VHH-12 2021-10-28 2022-11-16 Fernandez, I.,Rey, F.A. NANOBODIES AGAINST SARS-COV-2 NEUTRALIZE VARIANTS OF CONCERN AND EXPLORE CONFORMATIONAL DIFFERENCES ON THE SPIKE PROTEIN To Be Published 0 0 0 0 7Q3R Crystal structure of SARS-CoV-2 RBD in complex with the neutralizing nanobodies VHH-F04 and VHH-G09 2021-10-28 2022-11-16 Fernandez, I.,Rey, F.A. NANOBODIES AGAINST SARS-COV-2 NEUTRALIZE VARIANTS OF CONCERN AND EXPLORE CONFORMATIONAL DIFFERENCES ON THE SPIKE PROTEIN To Be Published 0 0 0 0 7Q40 Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 2021-10-29 2022-11-16 Demenge, A.,Howard, E.,Cousido-Siah, A.,Mitschler, A.,Podjarny, A.,McEwen, A.G.,Trave, G. Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 To Be Published 0 0 0 0 7Q5C Crystal structure of OmpG in space group 96 2021-11-03 2022-11-16 Nguyen, T.T.M.,Khan, A.R.,Barringer, R.,McManus, J.J.,Race, P.R. Experimental phase diagrams to optimise OmpG To Be Published 0 0 0 0 7ZFG 36166643 VDR complex with aromatic D-ring analog 2022-04-01 2022-11-23 Seoane, S.,Gogoi, P.,Zarate-Ruiz, A.,Peluso-Iltis, C.,Peters, S.,Guiberteau, T.,Maestro, M.A.,Perez-Fernandez, R.,Rochel, N.,Mourino, A. Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3. J.Med.Chem. 2022 65 13112 13124 7ZFX 36166643 VDR complex with Aromatic-D-Ring Analog 2022-04-01 2022-11-23 Seoane, S.,Gogoi, P.,Zarate-Ruiz, A.,Peluso-Iltis, C.,Peters, S.,Guiberteau, T.,Maestro, M.A.,Perez-Fernandez, R.,Rochel, N.,Mourino, A. Design, Synthesis, Biological Activity, and Structural Analysis of Novel Des-C-Ring and Aromatic-D-Ring Analogues of 1 alpha ,25-Dihydroxyvitamin D 3. J.Med.Chem. 2022 65 13112 13124 7ZHL 36484105 Salmonella enterica Rhs1 C-terminal toxin TreTu 2022-04-06 2022-11-23 Jurenas, D.,Rey, M.,Byrne, D.,Chamot-Rooke, J.,Terradot, L.,Cascales, E. Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop. Nucleic Acids Res. 2022 50 13114 13127 7ZHM 36484105 Salmonella enterica Rhs1 C-terminal toxin TreTu complex with TriTu immunity protein 2022-04-06 2022-11-23 Jurenas, D.,Rey, M.,Byrne, D.,Chamot-Rooke, J.,Terradot, L.,Cascales, E. Salmonella antibacterial Rhs polymorphic toxin inhibits translation through ADP-ribosylation of EF-Tu P-loop. Nucleic Acids Res. 2022 50 13114 13127 8B8D 36366462 multimerization domain of Gaboon Viper Virus 1 2022-10-04 2022-11-23 Tarbouriech, N.,Chenavier, F.,Kawasaki, J.,Bachiri, K.,Bourhis, J.M.,Legrand, P.,Freslon, L.L.,Laurent, E.M.N.,Suberbielle, E.,Ruigrok, R.W.H.,Tomonaga, K.,Gonzalez-Dunia, D.,Horie, M.,Coyaud, E.,Crepin, T. Borna Disease Virus 1 Phosphoprotein Forms a Tetramer and Interacts with Host Factors Involved in DNA Double-Strand Break Repair and mRNA Processing. Viruses 2022 14 0 0 7QBW Human Cyclophilin A double mutant C52AK125C 2021-11-19 2022-11-30 Fischer, L.,Buratto, J.,Langlois d'Estaintot, B. Human Cyclophilin A double mutant C52AK125C To Be Published 0 0 0 0 8B02 36551188 Crystal structure of the dsRBD domain of tRNA-dihydrouridine(20) synthase from Amphimedon queenslandica 2022-09-07 2022-11-30 Lombard, M.,Reed, C.J.,Pecqueur, L.,Faivre, B.,Toubdji, S.,Sudol, C.,Bregeon, D.,de Crecy-Lagard, V.,Hamdane, D. Evolutionary Diversity of Dus2 Enzymes Reveals Novel Structural and Functional Features among Members of the RNA Dihydrouridine Synthases Family. Biomolecules 2022 12 0 0 8B2J Crystal structure of human STING in complex with ADU-S100 2022-09-14 2022-11-30 Nawrotek, A.,Vuillard, L.,Miallau, L. Crystal structure of human STING in complex with ADU-S100 To Be Published 0 0 0 0 7W5C 37243525 Crystal structure of Mitogen Activated Protein Kinase 4 (MPK4) from Arabidopsis thaliana 2021-11-30 2022-12-07 Siodmak, A.,Shahul Hameed, U.F.,Rayapuram, N.,Volz, R.,Boudsocq, M.,Alharbi, S.,Alhoraibi, H.,Lee, Y.H.,Blilou, I.,Arold, S.T.,Hirt, H. Essential role of the CD docking motif of MPK4 in plant immunity, growth, and development. New Phytol. 2023 239 1112 1126 7QPI 35302785 Structure of lamprey VDR in complex with 1,25D3 2022-01-04 2022-12-14 Sigueiro, R.,Bianchetti, L.,Peluso-Iltis, C.,Chalhoub, S.,Dejaegere, A.,Osz, J.,Rochel, N. Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain. J.Med.Chem. 2022 65 5821 5829 7OWN 36181773 HsNMT1 in complex with both MyrCoA and peptide AKSFSKPR 2021-06-18 2022-12-21 Riviere, F.,Dian, C.,Dutheil, R.F.,Monassa, P.,Giglione, C.,Meinnel, T. Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation. J.Mol.Biol. 2022 434 167843 167843 7OWO 36181773 HsNMT1 in complex with both MyrCoA and N-acetylated KSFSKPR peptide 2021-06-18 2022-12-21 Riviere, F.,Dian, C.,Dutheil, R.F.,Monassa, P.,Giglione, C.,Meinnel, T. Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation. J.Mol.Biol. 2022 434 167843 167843 7OWR 36181773 HsNMT1 in complex with both MyrCoA and peptide GGKSFSKPR 2021-06-18 2022-12-21 Riviere, F.,Dian, C.,Dutheil, R.F.,Monassa, P.,Giglione, C.,Meinnel, T. Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation. J.Mol.Biol. 2022 434 167843 167843 7QNM 36502283 Crystallization and structural analyses of ZgHAD, a L-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans 2021-12-21 2022-12-21 Grigorian, E.,Roret, T.,Czjzek, M.,Leblanc, C.,Delage, L. X-ray structure and mechanism of ZgHAD, a l-2-haloacid dehalogenase from the marine Flavobacterium Zobellia galactanivorans. Protein Sci. 2023 32 0 0 7W7Z Crystal Structure of human Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase 2021-12-07 2022-12-21 Afaque, A.M.,Sandholu, A.S. Crystal Structure of human Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase To Be Published 0 0 0 0 7W8I Crystal structure of Zn bound human Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase 2021-12-07 2022-12-21 Momin, A.A.,Sandholu, A.S.,Arold, S.T. Crystal structure of Zn bound human Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase To Be Published 0 0 0 0 7W9U Crystal Structure of Zn bound human Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase 2021-12-10 2022-12-21 Momin, A.A.,Sandholu, A.S.,Arold, S.T. Crystal Structure of Zn bound human Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase To Be Published 0 0 0 0 7WAJ 36370911 Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) complexed with ATP and Co 2021-12-14 2022-12-21 Sharma, V.K.,Chhibber-Goel, J.,Yogavel, M.,Sharma, A. Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum. Mol.Biochem.Parasitol. 2022 253 111530 111530 7WAK 36370911 Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with ADP 2021-12-14 2022-12-21 Sharma, V.K.,Chhibber-Goel, J.,Yogavel, M.,Sharma, A. Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum. Mol.Biochem.Parasitol. 2022 253 111530 111530 7WAL 36370911 Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with Co 2021-12-14 2022-12-21 Sharma, V.K.,Chhibber-Goel, J.,Yogavel, M.,Sharma, A. Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum. Mol.Biochem.Parasitol. 2022 253 111530 111530 7WAO 36370911 Glutamyl-tRNA synthetase from Plasmodium falciparum (PfERS) in complex with Mn 2021-12-14 2022-12-21 Sharma, V.K.,Chhibber-Goel, J.,Yogavel, M.,Sharma, A. Structural characterization of glutamyl-tRNA synthetase (GluRS) from Plasmodium falciparum. Mol.Biochem.Parasitol. 2022 253 111530 111530 7OX5 hIL-9:hIL-9Ra complex 2021-06-22 2022-12-28 De Vos, T.,Godar, M.,Bick, F.,Papageorgiou, A.C.,Evangelidis, T.,Markovic, I.,Mortier, E.,Dumoutier, L.,Tripsianes, K.,Blanchetot, C.,Savvides, S.N. Structural basis for the mechanism and antagonism of receptor signaling mediated by Interleukin-9 (IL-9) Biorxiv 2022 0 0 0 7QIU 35710145 YsgA 23s RNA methyltransferase from Bacillus subtilis 2021-12-16 2022-12-28 Roovers, M.,Labar, G.,Wolff, P.,Feller, A.,Van Elder, D.,Soin, R.,Gueydan, C.,Kruys, V.,Droogmans, L. The Bacillus subtilis open reading frame ysgA encodes the SPOUT methyltransferase RlmP forming 2'- O -methylguanosine at position 2553 in the A-loop of 23S rRNA. Rna 2022 28 1185 1196 8B8W 36542958 Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7a) 2022-10-05 2022-12-28 Orsi, D.L.,Ferrara, S.J.,Siegel, S.,Friberg, A.,Bouche, L.,Pook, E.,Lienau, P.,Bluck, J.P.,Lemke, C.T.,Akcay, G.,Stellfeld, T.,Meyer, H.,Putter, V.,Holton, S.J.,Korr, D.,Jerchel-Furau, I.,Pantelidou, C.,Strathdee, C.A.,Meyerson, M.,Eis, K.,Goldstein, J.T. Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem. 2022 78 117130 117130 8A9W 36586404 Crystal structure of PulL C-ter domain 2022-06-29 2023-01-11 Dazzoni, R.,Li, Y.,Lopez-Castilla, A.,Brier, S.,Mechaly, A.,Cordier, F.,Haouz, A.,Nilges, M.,Francetic, O.,Bardiaux, B.,Izadi-Pruneyre, N. Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system. Structure 2023 31 152 0 7QPS Structure of Mn-free SpoT 2022-01-05 2023-01-18 Garcia-Pino, A.,Tamman, H. Structure of Mn-free SpoT To Be Published 0 0 0 0 8AUD 36469781 Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, orthorhombic crystal form 2022-08-25 2023-01-18 Gaday, Q.,Megrian, D.,Carloni, G.,Martinez, M.,Sokolova, B.,Ben Assaya, M.,Legrand, P.,Brule, S.,Haouz, A.,Wehenkel, A.M.,Alzari, P.M. FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales. Proc.Natl.Acad.Sci.USA 2022 119 0 0 7TBR Crystal structure of the TPM domain from the Rhodothermus marinus protein Rhom172_1776 2021-12-22 2023-01-25 Pellizza, L.,Klinke, S.,Aran, M. Crystal structure of the TPM domain from the Rhodothermus marinus protein Rhom172_1776 To be published 0 0 0 0 8BOZ 36675258 structure of the Adherent-Invasive Escherichia coli Tle3/Tli3 T6SS effector/immunity complex 2022-11-15 2023-02-08 Le, T.T.H.,Kellenberger, C.,Boyer, M.,Santucci, P.,Flaugnatti, N.,Cascales, E.,Roussel, A.,Canaan, S.,Journet, L.,Cambillau, C. Activity and Crystal Structure of the Adherent-Invasive Escherichia coli Tle3/Tli3 T6SS Effector/Immunity Complex Determined Using an AlphaFold2 Predicted Model. Int J Mol Sci 2023 24 0 0 7R29 Crystal structure of TaCel5A E133Q Y200F variant with covalently linked cellotriose 2022-02-04 2023-02-15 Dutoit, R. Crystal structure of TaCel5A E133Q Y200F variant with covalently linked cellotriose To Be Published 0 0 0 0 8A3V 36762863 Crystal structure of the Vibrio cholerae replicative helicase (VcDnaB) in complex with its loader protein (VcDciA) 2022-06-09 2023-02-15 Cargemel, C.,Marsin, S.,Noiray, M.,Legrand, P.,Bounoua, H.,Li de la Sierra-Gallay, I.,Walbott, H.,Quevillon-Cheruel, S. The LH-DH module of bacterial replicative helicases is the common binding site for DciA and other helicase loaders. Acta Crystallogr D Struct Biol 2023 79 177 187 8AJ7 36845546 Kunitz domain of Amblyomin-X 2022-07-27 2023-02-15 Morais, K.L.P.,Ciccone, L.,Stura, E.,Alvarez-Flores, M.P.,Mourier, G.,Driessche, M.V.,Sciani, J.M.,Iqbal, A.,Kalil, S.P.,Pereira, G.J.,Marques-Porto, R.,Cunegundes, P.,Juliano, L.,Servent, D.,Chudzinski-Tavassi, A.M. Structural and functional properties of the Kunitz-type and C-terminal domains of Amblyomin-X supporting its antitumor activity. Front Mol Biosci 2023 10 1072751 1072751 8AJ7 36845546 Kunitz domain of Amblyomin-X 2022-07-27 2023-02-15 Morais, K.L.P.,Ciccone, L.,Stura, E.,Alvarez-Flores, M.P.,Mourier, G.,Driessche, M.V.,Sciani, J.M.,Iqbal, A.,Kalil, S.P.,Pereira, G.J.,Marques-Porto, R.,Cunegundes, P.,Juliano, L.,Servent, D.,Chudzinski-Tavassi, A.M. Structural and functional properties of the Kunitz-type and C-terminal domains of Amblyomin-X supporting its antitumor activity. Front Mol Biosci 2023 10 1072751 1072751 7Z8E 36802165 Crystal structure of the substrate-binding protein YejA from S. meliloti in complex with peptide fragment 2022-03-17 2023-02-22 Travin, D.Y.,Jouan, R.,Vigouroux, A.,Inaba-Inoue, S.,Lachat, J.,Haq, F.,Timchenko, T.,Sutormin, D.,Dubiley, S.,Beis, K.,Morera, S.,Severinov, K.,Mergaert, P. Dual-Uptake Mode of the Antibiotic Phazolicin Prevents Resistance Acquisition by Gram-Negative Bacteria. Mbio 2023 14 0 0 8BVE 36778425 MoeA2 from Corynebacterium glutamicum 2022-12-03 2023-02-22 Martinez, M.,Petit, J.,Leyva, A.,Sogues, A.,Megrian, D.,Rodriguez, A.,Gaday, Q.,Ben Assaya, M.,Portela, M.,Haouz, A.,Ducret, A.,Grangeasse, C.,Alzari, P.M.,Dur N, R.,Wehenkel, A. Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation. Biorxiv 2023 0 0 0 8BVF 36778425 MoeA2 from Corynebacterium glutamicum in complex with FtsZ-CTD 2022-12-03 2023-02-22 Martinez, M.,Petit, J.,Leyva, A.,Sogues, A.,Megrian, D.,Rodriguez, A.,Gaday, Q.,Ben Assaya, M.,Portela, M.,Haouz, A.,Ducret, A.,Grangeasse, C.,Alzari, P.M.,Dur N, R.,Wehenkel, A. Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation. Biorxiv 2023 0 0 0 7YXT Crystal structure of human Indoleamine-2,3-dioxygenase 1 (hIDO1) with different conformations for G261-G265 fragment 2022-02-16 2023-03-01 Mirgaux, M.,Wouters, J. Crystal structure of human Indoleamine-2,3-dioxygenase 1 (hIDO1) with different conformations for G261-G265 fragment To Be Published 0 0 0 0 7YZW Llama nanobody VHH15 raised against the glycoprotein of Ebola virus 2022-02-21 2023-03-01 Coulibaly, A.B.,Amigues, B.,Imbert, I.,Roussel, A.,Leone, P. Structural characterization of a nanobody raised against the Ebola virus glycoprotein To Be Published 0 0 0 0 7ZHC 36786691 Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with AcetylCoA and polyethylen glycol 2022-04-06 2023-03-15 Belicek, J.,Luptakova, E.,Kopecny, D.,Frommel, J.,Vigouroux, A.,Cavar Zeljkovic, S.,Jagic, F.,Briozzo, P.,Kopecny, D.J.,Tarkowski, P.,Nisler, J.,De Diego, N.,Morera, S.,Kopecna, M. Biochemical and structural basis of polyamine, lysine and ornithine acetylation catalyzed by spermine/spermidine N-acetyl transferase in moss and maize. Plant J. 2023 114 482 498 8AEB 36796300 SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide 2022-07-12 2023-03-15 Brier, L.,Hassan, H.,Hanoulle, X.,Landry, V.,Moschidi, D.,Desmarets, L.,Rouille, Y.,Dumont, J.,Herledan, A.,Warenghem, S.,Piveteau, C.,Carre, P.,Ikherbane, S.,Cantrelle, F.X.,Dupre, E.,Dubuisson, J.,Belouzard, S.,Leroux, F.,Deprez, B.,Charton, J. Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses. Eur.J.Med.Chem. 2023 250 115186 115186 8AHQ 36899003 VirD/holo-ACP5b of Streptomyces virginiae complex 2022-07-22 2023-03-15 Collin, S.,Cox, R.J.,Paris, C.,Jacob, C.,Chagot, B.,Weissman, K.J.,Gruez, A. Decrypting the programming of beta-methylation in virginiamycin M biosynthesis. Nat Commun 2023 14 1327 1327 8AHZ 36899003 Native VirD of Streptomyces virginiae 2022-07-25 2023-03-15 Collin, S.,Cox, R.J.,Paris, C.,Jacob, C.,Chagot, B.,Weissman, K.J.,Gruez, A. Decrypting the programming of beta-methylation in virginiamycin M biosynthesis. Nat Commun 2023 14 1327 1327 7Z2L Crystal structure of L-Kynurenine in the active site of human Indoleamine-2,3-dioxygenase 1 (hIDO1) 2022-02-28 2023-03-22 Mirgaux, M.,Wouters, J. Crystal structure of L-Kynurenine in the active site of human Indoleamine-2,3-dioxygenase 1 (hIDO1) To Be Published 0 0 0 0 7Z3P 36959263 Crystal structure of the mouse leptin:LepR-CRH2 encounter complex to 1.95 A resolution. 2022-03-02 2023-03-22 Tsirigotaki, A.,Dansercoer, A.,Verschueren, K.H.G.,Markovic, I.,Pollmann, C.,Hafer, M.,Felix, J.,Birck, C.,Van Putte, W.,Catteeuw, D.,Tavernier, J.,Fernando Bazan, J.,Piehler, J.,Savvides, S.N.,Verstraete, K. Mechanism of receptor assembly via the pleiotropic adipokine Leptin. Nat.Struct.Mol.Biol. 2023 30 551 563 7ZKT 36786691 Moss spermine/spermidine acetyl transferase (PpSSAT) in complex with CoA and lysine 2022-04-13 2023-03-22 Belicek, J.,Luptakova, E.,Kopecny, D.,Frommel, J.,Vigouroux, A.,Cavar Zeljkovic, S.,Jagic, F.,Briozzo, P.,Kopecny, D.J.,Tarkowski, P.,Nisler, J.,De Diego, N.,Morera, S.,Kopecna, M. Biochemical and structural basis of polyamine, lysine and ornithine acetylation catalyzed by spermine/spermidine N-acetyl transferase in moss and maize. Plant J. 2023 114 482 498 8BCR 36905944 DENV3 Methyltransferase in complexed with AT-9010 and SAH 2022-10-17 2023-03-22 Feracci, M.,Eydoux, C.,Fattorini, V.,Lo Bello, L.,Gauffre, P.,Selisko, B.,Sutto-Ortiz, P.,Shannon, A.,Xia, H.,Shi, P.Y.,Noel, M.,Debart, F.,Vasseur, J.J.,Good, S.,Lin, K.,Moussa, A.,Sommadossi, J.P.,Chazot, A.,Alvarez, K.,Guillemot, J.C.,Decroly, E.,Ferron, F.,Canard, B. AT-752 targets multiple sites and activities on the Dengue virus replication enzyme NS5. Antiviral Res. 2023 212 105574 105574 8B65 36972828 Structure of rsCherry crystallized in anaerobic conditions 2022-09-26 2023-04-05 Bui, T.Y.H.,De Zitter, E.,Moeyaert, B.,Pecqueur, L.,Srinivasu, B.Y.,Economou, A.,Fontecave, M.,Van Meervelt, L.,Dedecker, P.,Pedre, B. Oxygen-induced chromophore degradation in the photoswitchable red fluorescent protein rsCherry. Int.J.Biol.Macromol. 2023 239 124179 124179 8BXY 36944399 FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group 2022-12-11 2023-04-12 Krammer, E.M.,Bridot, C.,Serna, S.,Echeverria, B.,Semwal, S.,Roubinet, B.,van Noort, K.,Wilbers, R.H.P.,Bourenkov, G.,de Ruyck, J.,Landemarre, L.,Reichardt, N.,Bouckaert, J. Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors. J.Biol.Chem. 2023 299 104627 104627 6NAK BACTERIAL PROTEIN COMPLEX TM BDE complex 2018-12-05 2023-04-26 Stec, B. Discovery of the Universal tRNA Binding Mode for the TsaD-like Components of the t6A tRNA Modification Pathway Biophysica 2023 3 288 306 8AAP 36939673 Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi 2022-07-01 2023-04-26 Hoffer, L.,Garcia, M.,Leblanc, R.,Feracci, M.,Betzi, S.,Ben Yaala, K.,Daulat, A.M.,Zimmermann, P.,Roche, P.,Barral, K.,Morelli, X. Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated ""Hit Identification-to-Optimization"" Approach. J.Med.Chem. 2023 66 4633 4658 8AKH 37042660 Crystal structure of DltE from L. plantarum soaked with LTA 2022-07-29 2023-04-26 Nikolopoulos, N.,Matos, R.,Ravaud, S.,Courtin, P.,Akherraz, H.,Palussiere, S.,Gueguen-Chaignon, V.,Salomon-Mallet, M.,Guillot, A.,Guerardel, Y.,Chapot-Chartier, M.P.,Grangeasse, C.,Leulier, F. Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth. Elife 2023 12 0 0 8BE8 37067463 Crystal structure of SOS1-HRas-peptidomimetic4 2022-10-21 2023-04-26 Van Holsbeeck, K.,Fischer, B.,Gonzalez, S.,Gadais, C.,Versees, W.,Martins, J.C.,Martin, C.,Wohlkonig, A.,Steyaert, J.,Ballet, S. Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 8BE9 37067463 Crystal structure of SOS1-HRas-peptidomimetic5 2022-10-21 2023-04-26 Van Holsbeeck, K.,Fischer, B.,Gonzalez, S.,Gadais, C.,Versees, W.,Martins, J.C.,Martin, C.,Wohlkonig, A.,Steyaert, J.,Ballet, S. Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 8BEA 37067463 Crystal structure of SOS1-HRas-peptidomimetic10 2022-10-21 2023-04-26 Van Holsbeeck, K.,Fischer, B.,Gonzalez, S.,Gadais, C.,Versees, W.,Martins, J.C.,Martin, C.,Wohlkonig, A.,Steyaert, J.,Ballet, S. Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 8CK5 37054528 VDR LBD complex with 25-nitro derivative of 1,25D3 2023-02-14 2023-04-26 Gomez-Bouzo, U.,Belorusova, A.Y.,Rivadulla, M.L.,Santalla, H.,Verlinden, L.,Verstuyf, A.,Ferronato, M.J.,Curino, A.C.,Facchinetti, M.M.,Fall, Y.,Gomez, G.,Rochel, N. Structural analysis and biological activities of C25-amino and C25-nitro vitamin D analogs. Bioorg.Chem. 2023 136 106528 106528 8CKC 37054528 Vitamin D receptor complex with 25-amine derivative of 1,25D3 2023-02-15 2023-04-26 Gomez-Bouzo, U.,Belorusova, A.Y.,Rivadulla, M.L.,Santalla, H.,Verlinden, L.,Verstuyf, A.,Ferronato, M.J.,Curino, A.C.,Facchinetti, M.M.,Fall, Y.,Gomez, G.,Rochel, N. Structural analysis and biological activities of C25-amino and C25-nitro vitamin D analogs. Bioorg.Chem. 2023 136 106528 106528 8A0X Crystal structure of the HigB2-HigA2 tetramer in complex with operator DNA 2022-05-30 2023-05-03 Hadzi, S.,Loris, R. Fuzzy DNA recognition by a prokaryotic transcription factor To Be Published 0 0 0 0 7ZUV 38134324 Crystal structure of Chlamydomonas reinhardtii chloroplastic sedoheptulose-1,7-bisphosphatase in reducing conditions 2022-05-13 2023-05-24 Meloni, M.,Fanti, S.,Tedesco, D.,Gurrieri, L.,Trost, P.,Fermani, S.,Lemaire, S.D.,Zaffagnini, M.,Henri, J. Characterization of chloroplast ribulose-5-phosphate-3-epimerase from the microalga Chlamydomonas reinhardtii. Plant Physiol. 2023 0 0 0 8EHU 37272821 Crystal structure of the environmental CRH-1 class A carbapenemase at 1.1 Angstrom resolution 2022-09-14 2023-05-31 Brunetti, F.,Ghiglione, B.,Gudeta, D.D.,Gutkind, G.,Guardabassi, L.,Klinke, S.,Power, P. Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases. Antimicrob.Agents Chemother. 2023 67 0 0 8EK9 37272821 Crystal structure of the class A carbapenemase CRH-1 in complex with avibactam at 1.4 Angstrom resolution 2022-09-20 2023-05-31 Brunetti, F.,Ghiglione, B.,Gudeta, D.D.,Gutkind, G.,Guardabassi, L.,Klinke, S.,Power, P. Biochemical and Structural Characterization of CRH-1, a Carbapenemase from Chromobacterium haemolyticum Related to KPC beta-Lactamases. Antimicrob.Agents Chemother. 2023 67 0 0 8ODW 37216334 Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii) 2023-03-09 2023-05-31 Minas, H.A.,Francois, R.M.M.,Hemmerling, F.,Fraley, A.E.,Dieterich, C.L.,Rudisser, S.H.,Meoded, R.A.,Collin, S.,Weissman, K.J.,Gruez, A.,Piel, J. Modular Oxime Formation by a trans-AT Polyketide Synthase. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 8ODW 37216334 Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii) 2023-03-09 2023-05-31 Minas, H.A.,Francois, R.M.M.,Hemmerling, F.,Fraley, A.E.,Dieterich, C.L.,Rudisser, S.H.,Meoded, R.A.,Collin, S.,Weissman, K.J.,Gruez, A.,Piel, J. Modular Oxime Formation by a trans-AT Polyketide Synthase. Angew.Chem.Int.Ed.Engl. 2023 62 0 0 8OJE Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 in complex with L-malate 2023-03-24 2023-05-31 Meyer, T.J.,Sheng, J.,Haesaerts, S.,Frausto, K.,O'Leary, S.,Loris, R.,Larsen, P.B. Amino acid changes that deregulate PHOSPHOENOLPYRUVATE CARBOXYLASE in plants To Be Published 0 0 0 0 8OJE Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 in complex with L-malate 2023-03-24 2023-05-31 Meyer, T.J.,Sheng, J.,Haesaerts, S.,Frausto, K.,O'Leary, S.,Loris, R.,Larsen, P.B. Amino acid changes that deregulate PHOSPHOENOLPYRUVATE CARBOXYLASE in plants To Be Published 0 0 0 0 7ZI5 37248212 Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0274 inhibitor 2022-04-07 2023-06-07 Saez-Ayala, M.,Hoffer, L.,Abel, S.,Ben Yaala, K.,Sicard, B.,Andrieu, G.P.,Latiri, M.,Davison, E.K.,Ciufolini, M.A.,Bremond, P.,Rebuffet, E.,Roche, P.,Derviaux, C.,Voisset, E.,Montersino, C.,Castellano, R.,Collette, Y.,Asnafi, V.,Betzi, S.,Dubreuil, P.,Combes, S.,Morelli, X. From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun 2023 14 3079 3079 7ZI6 37248212 Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0325 inhibitor 2022-04-07 2023-06-07 Saez-Ayala, M.,Hoffer, L.,Abel, S.,Ben Yaala, K.,Sicard, B.,Andrieu, G.P.,Latiri, M.,Davison, E.K.,Ciufolini, M.A.,Bremond, P.,Rebuffet, E.,Roche, P.,Derviaux, C.,Voisset, E.,Montersino, C.,Castellano, R.,Collette, Y.,Asnafi, V.,Betzi, S.,Dubreuil, P.,Combes, S.,Morelli, X. From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun 2023 14 3079 3079 7ZI8 37248212 Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0602 inhibitor 2022-04-07 2023-06-07 Saez-Ayala, M.,Hoffer, L.,Abel, S.,Ben Yaala, K.,Sicard, B.,Andrieu, G.P.,Latiri, M.,Davison, E.K.,Ciufolini, M.A.,Bremond, P.,Rebuffet, E.,Roche, P.,Derviaux, C.,Voisset, E.,Montersino, C.,Castellano, R.,Collette, Y.,Asnafi, V.,Betzi, S.,Dubreuil, P.,Combes, S.,Morelli, X. From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun 2023 14 3079 3079 7ZI9 37248212 Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0624 inhibitor 2022-04-07 2023-06-07 Saez-Ayala, M.,Hoffer, L.,Abel, S.,Ben Yaala, K.,Sicard, B.,Andrieu, G.P.,Latiri, M.,Davison, E.K.,Ciufolini, M.A.,Bremond, P.,Rebuffet, E.,Roche, P.,Derviaux, C.,Voisset, E.,Montersino, C.,Castellano, R.,Collette, Y.,Asnafi, V.,Betzi, S.,Dubreuil, P.,Combes, S.,Morelli, X. From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun 2023 14 3079 3079 7ZIA 37248212 Crystal structure of dCK C4S-S74E mutant in complex with UDP and the OR0634 inhibitor 2022-04-07 2023-06-07 Saez-Ayala, M.,Hoffer, L.,Abel, S.,Ben Yaala, K.,Sicard, B.,Andrieu, G.P.,Latiri, M.,Davison, E.K.,Ciufolini, M.A.,Bremond, P.,Rebuffet, E.,Roche, P.,Derviaux, C.,Voisset, E.,Montersino, C.,Castellano, R.,Collette, Y.,Asnafi, V.,Betzi, S.,Dubreuil, P.,Combes, S.,Morelli, X. From a drug repositioning to a structure-based drug design approach to tackle acute lymphoblastic leukemia. Nat Commun 2023 14 3079 3079 7QDX 37338125 bacterial IMPDH chimera 2021-11-30 2023-06-14 Gedeon, A.,Ayoub, N.,Brule, S.,Raynal, B.,Karimova, G.,Gelin, M.,Mechaly, A.,Haouz, A.,Labesse, G.,Munier-Lehmann, H. Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases. Protein Sci. 2023 32 0 0 7ZY7 Crystal structure of Chlamydomonas reinhardtii chloroplastic phosphoglycerate kinase 2022-05-24 2023-06-14 Le Moigne, T.,Lemaire, S.D.,Henri, J. Crystal structure of Chlamydomonas reinhardtii chloroplastic phosphoglycerate kinase To Be Published 0 0 0 0 8DQT 37311034 Human PDK1 kinase domain in complex with Valsartan 2022-07-19 2023-06-21 Sacerdoti, M.,Gross, L.Z.F.,Riley, A.M.,Zehnder, K.,Ghode, A.,Klinke, S.,Anand, G.S.,Paris, K.,Winkel, A.,Herbrand, A.K.,Godage, H.Y.,Cozier, G.E.,Suss, E.,Schulze, J.O.,Pastor-Flores, D.,Bollini, M.,Cappellari, M.V.,Svergun, D.,Grawert, M.A.,Aramendia, P.F.,Leroux, A.E.,Potter, B.V.L.,Camacho, C.J.,Biondi, R.M. Modulation of the substrate specificity of the kinase PDK1 by distinct conformations of the full-length protein. Sci.Signal. 2023 16 0 0 7W8B Crystal Structure of human Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase 2021-12-07 2023-07-05 Momin, A.A.,Sandholu, A.S.,Arold, S.T. Crystal Structure of human Focal Adhesion Targeting (FAT) domain of the Focal Adhesion Kinase To Be Published 0 0 0 0 8CF6 37137399 Dimethylated RSL-R5 in complex with cucurbit[7]uril, F432 cage assembly 2023-02-02 2023-07-05 Ramberg, K.O.,Crowley, P.B. Cage versus sheet: Probing the Determinants of Protein - Cucurbit[7]uril Crystalline Architectures. J.Struct.Biol. 2023 215 107969 107969 8CF7 37137399 Dimethylated RSL-R5 in complex with cucurbit[7]uril, C121 sheet assembly 2023-02-02 2023-07-05 Ramberg, K.O.,Crowley, P.B. Cage versus sheet: Probing the Determinants of Protein - Cucurbit[7]uril Crystalline Architectures. J.Struct.Biol. 2023 215 107969 107969 8CJ1 37347155 Urea-based foldamer inhibitor c3u_3 chimera in complex with ASF1 histone chaperone 2023-02-11 2023-07-05 Perrin, M.E.,Li, B.,Mbianda, J.,Bakail, M.,Andre, C.,Moal, G.,Legrand, P.,Ropars, V.,Douat, C.,Ochsenbein, F.,Guichard, G. Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach. Chem.Commun.(Camb.) 2023 59 8696 8699 8OW3 37343272 Crystal structure of wild-type c-MET bound by compound 2 2023-04-26 2023-07-05 Michaelides, I.N.,Collie, G.W.,Borjesson, U.,Vasalou, C.,Alkhatib, O.,Barlind, L.,Cheung, T.,Dale, I.L.,Embrey, K.J.,Hennessy, E.J.,Khurana, P.,Koh, C.M.,Lamb, M.L.,Liu, J.,Moss, T.A.,O'Neill, D.J.,Phillips, C.,Shaw, J.,Snijder, A.,Storer, R.I.,Stubbs, C.J.,Han, F.,Li, C.,Qiao, J.,Sun, D.Q.,Wang, J.,Wang, P.,Yang, W. Discovery and Optimization of the First ATP Competitive Type-III c-MET Inhibitor. J.Med.Chem. 2023 66 8782 8807 8PII VHH Z70 mutant 3 in interaction with PHF6 Tau peptide 2023-06-21 2023-07-05 Dupre, E.,Mortelecque, J.,NGuyen, M.,Hanoulle, X.,Landrieu, I. VHH Z70 mutant 3 in interaction with PHF6 Tau peptide To Be Published 0 0 0 0 8A9N 37316480 Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP 2022-06-28 2023-07-12 Armalyte, J.,Cepauskas, A.,Sakalyte, G.,Martinkus, J.,Skerniskyte, J.,Martens, C.,Suziedeliene, E.,Garcia-Pino, A.,Jurenas, D. A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii. Nat Commun 2023 14 3531 3531 8A9O 37316480 Structure of the polyamine acetyltransferase DpA 2022-06-28 2023-07-12 Armalyte, J.,Cepauskas, A.,Sakalyte, G.,Martinkus, J.,Skerniskyte, J.,Martens, C.,Suziedeliene, E.,Garcia-Pino, A.,Jurenas, D. A polyamine acetyltransferase regulates the motility and biofilm formation of Acinetobacter baumannii. Nat Commun 2023 14 3531 3531 8B6I 37395055 KRasG12C ligand complex 2022-09-27 2023-07-12 Kettle, J.G.,Bagal, S.K.,Barratt, D.,Bodnarchuk, M.S.,Boyd, S.,Braybrooke, E.,Breed, J.,Cassar, D.J.,Cosulich, S.,Davies, M.,Davies, N.L.,Deng, C.,Eatherton, A.,Evans, L.,Feron, L.J.,Fillery, S.,Gleave, E.S.,Goldberg, F.W.,Cortes Gonzalez, M.A.,Guerot, C.,Haider, A.,Harlfinger, S.,Howells, R.,Jackson, A.,Johnstrom, P.,Kemmitt, P.D.,Koers, A.,Kondrashov, M.,Lamont, G.M.,Lamont, S.,Lewis, H.J.,Liu, L.,Mylrea, M.,Nash, S.,Niedbala, M.J.,Peter, A.,Phillips, C.,Pike, K.,Raubo, P.,Robb, G.R.,Ross, S.,Sanders, M.G.,Schou, M.,Simpson, I.,Steward, O. Discovery of AZD4747, a Potent and Selective Inhibitor of Mutant GTPase KRAS G12C with Demonstrable CNS Penetration. J.Med.Chem. 2023 66 9147 9160 8C9Y 37314405 The MK-RSL - sulfonato-calix[8]arene complex, H32 form 2023-01-23 2023-07-12 Mockler, N.M.,Ramberg, K.O.,Crowley, P.B. Protein-macrocycle polymorphism: crystal form IV of the Ralstonia solanacearum lectin-sulfonato-calix[8]arene complex. Acta Crystallogr D Struct Biol 2023 79 624 631 8C9Z 37314405 The RSL - sulfonato-calix[8]arene complex, H32 form, citrate pH 6.0 2023-01-23 2023-07-12 Mockler, N.M.,Ramberg, K.O.,Crowley, P.B. Protein-macrocycle polymorphism: crystal form IV of the Ralstonia solanacearum lectin-sulfonato-calix[8]arene complex. Acta Crystallogr D Struct Biol 2023 79 624 631 8OOG 37389247 Crystal structure of human MAT2a with S-Adenosylmethionine and a fragment bound in a novel pocket 2023-04-05 2023-07-12 La Sala, G.,Pfleger, C.,Kack, H.,Wissler, L.,Nevin, P.,Bohm, K.,Janet, J.P.,Schimpl, M.,Stubbs, C.J.,De Vivo, M.,Tyrchan, C.,Hogner, A.,Gohlke, H.,Frolov, A.I. Combining structural and coevolution information to unveil allosteric sites. Chem Sci 2023 14 7057 7067 8OVR Clostridium perfringens chitinase CP56_3454 apo form 2023-04-26 2023-07-12 Bloch, Y.,Savvides, S.N. Clostridium perfringens chitinase CP56_3454 apo form To Be Published 0 0 0 0 8ACU Structure of Bacillus subtilis Rel in complex with DarB 2022-07-06 2023-07-19 Garcia-Pino, A. Structure of Bacillus subtilis Rel in complex with DarB To Be Published 0 0 0 0 8AD6 Structure of DarB bound to c-di-AMP 2022-07-07 2023-07-19 Garcia-Pino, A.,Talavera, A. Structure of DarB bound to c-di-AMP To Be Published 0 0 0 0 8CN3 37481039 hDLG1-PDZ2 in complex with a TAX1 peptide from HTLV-1 2023-02-21 2023-08-02 Maseko, S.B.,Brammerloo, Y.,Van Molle, I.,Sogues, A.,Martin, C.,Gorgulla, C.,Plant, E.,Olivet, J.,Blavier, J.,Ntombela, T.,Delvigne, F.,Arthanari, H.,El Hajj, H.,Bazarbachi, A.,Van Lint, C.,Salehi-Ashtiani, K.,Remaut, H.,Ballet, S.,Volkov, A.N.,Twizere, J.C. Identification of small molecule antivirals against HTLV-1 by targeting the hDLG1-Tax-1 protein-protein interaction. Antiviral Res. 2023 217 105675 105675 8CEF 37503845 Asymmetric Dimerization in a Transcription Factor Superfamily is Promoted by Allosteric Interactions with DNA 2023-02-01 2023-08-09 Patel, A.K.M.,Vilela, P.,Shaik, T.B.,McEwen, A.G.,Hazemann, I.,Brillet, K.,Ennifar, E.,Hamiche, A.,Markov, G.V.,Laudet, V.,Moras, D.,Klaholz, B.P.,Billas, I.M.L. Asymmetric dimerization in a transcription factor superfamily is promoted by allosteric interactions with DNA. Nucleic Acids Res. 2023 51 8864 8879 8BRU 37518893 Escherichia coli methionyl-tRNA synthetase mutant L13M,I297C 2022-11-24 2023-08-16 Opuu, V.,Nigro, G.,Lazennec-Schurdevin, C.,Mechulam, Y.,Schmitt, E.,Simonson, T. Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci. 2023 32 0 0 8BRV 37518893 Escherichia coli methionyl-tRNA synthetase mutant L13M,I297C complexed with beta3-methionine. 2022-11-24 2023-08-16 Opuu, V.,Nigro, G.,Lazennec-Schurdevin, C.,Mechulam, Y.,Schmitt, E.,Simonson, T. Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci. 2023 32 0 0 8BRW 37518893 Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C 2022-11-24 2023-08-16 Opuu, V.,Nigro, G.,Lazennec-Schurdevin, C.,Mechulam, Y.,Schmitt, E.,Simonson, T. Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci. 2023 32 0 0 8BRX 37518893 Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C complexed with beta-3-methionine 2022-11-24 2023-08-16 Opuu, V.,Nigro, G.,Lazennec-Schurdevin, C.,Mechulam, Y.,Schmitt, E.,Simonson, T. Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments. Protein Sci. 2023 32 0 0 8PHD 37507029 Structure of Human Cdc123 bound to domain 3 of eIF2 gamma and ATP 2023-06-19 2023-08-16 Cardenal Peralta, C.,Vandroux, P.,Neumann-Arnold, L.,Panvert, M.,Fagart, J.,Seufert, W.,Mechulam, Y.,Schmitt, E. Binding of human Cdc123 to eIF2 gamma. J.Struct.Biol. 2023 215 108006 108006 8PHV 37507029 Structure of Human selenomethionylated Cdc123 bound to domain 3 of eIF2 gamma 2023-06-20 2023-08-16 Cardenal Peralta, C.,Vandroux, P.,Neumann-Arnold, L.,Panvert, M.,Fagart, J.,Seufert, W.,Mechulam, Y.,Schmitt, E. Binding of human Cdc123 to eIF2 gamma. J.Struct.Biol. 2023 215 108006 108006 7Z6O 37870477 X-Ray studies of Ku70/80 reveal the binding site for IP6 2022-03-14 2023-08-30 Kefala Stavridi, A.,Gontier, A.,Morin, V.,Frit, P.,Ropars, V.,Barboule, N.,Racca, C.,Jonchhe, S.,Morten, M.J.,Andreani, J.,Rak, A.,Legrand, P.,Bourand-Plantefol, A.,Hardwick, S.W.,Chirgadze, D.Y.,Davey, P.,De Oliveira, T.M.,Rothenberg, E.,Britton, S.,Calsou, P.,Blundell, T.L.,Varela, P.F.,Chaplin, A.K.,Charbonnier, J.B. Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction. Nucleic Acids Res. 2023 51 11732 11747 8ART ABC transporter binding protein MalE from Streptomyces scabiei in complex with maltose 2022-08-17 2023-08-30 Jadot, C.,Kerff, F.,Rigali, S. Structure of ligand binding protein of ABC transporter from Streptomyces scabiei at 3.17 Angstroms resolution. To Be Published 0 0 0 0 8PZ7 crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57 2023-07-27 2023-08-30 Fabisiak, A.,Rochel, N. Design, Synthesis, Biological Activity of D-Bishomo-1a,25-dihydroxyvitamin D3 Analogs and their Crystal Structures with the Vitamin D Nuclear Receptor To Be Published 0 0 0 0 8PZ9 Crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 55 2023-07-27 2023-08-30 Fabisiak, A.,Rochel, N. Design, Synthesis, Biological Activity of D-Bishomo-1a,25-dihydroxyvitamin D3 Analogs and their Crystal Structures with the Vitamin D Nuclear Receptor To Be Published 0 0 0 0 8EO5 Crystal structure of the class A beta-lactamase precursor LRA-5 from an Alaskan soil metagenome at 1.8 Angstrom resolution 2022-10-02 2023-09-06 D'Amico Gonzalez, G.,Handelsman, J.,Centron, D.,Gutkind, G.,Klinke, S.,Power, P. Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions to be published 0 0 0 0 7Z3I 38170898 Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, M171A mutant 2022-03-02 2023-09-13 Roger, M.,Leone, P.,Blackburn, N.J.,Horrell, S.,Chicano, T.M.,Biaso, F.,Giudici-Orticoni, M.T.,Abriata, L.A.,Hura, G.L.,Hough, M.A.,Sciara, G.,Ilbert, M. Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features. Dalton Trans 2024 53 1794 1808 8CB1 37655021 Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-PNT-DNM 15 2023-01-25 2023-09-13 van der Gracht, D.,Rowland, R.J.,Roig-Zamboni, V.,Ferraz, M.J.,Louwerse, M.,Geurink, P.P.,Aerts, J.M.F.G.,Sulzenbacher, G.,Davies, G.J.,Overkleeft, H.S.,Artola, M. Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases. Chem Sci 2023 14 9136 9144 8CB6 37655021 Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in covalent complex with TAMRA tagged 1,6-Epi-cylcophellitol aziridine activity based probe 2023-01-25 2023-09-13 van der Gracht, D.,Rowland, R.J.,Roig-Zamboni, V.,Ferraz, M.J.,Louwerse, M.,Geurink, P.P.,Aerts, J.M.F.G.,Sulzenbacher, G.,Davies, G.J.,Overkleeft, H.S.,Artola, M. Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases. Chem Sci 2023 14 9136 9144 8QEL PKR kinase domain- eIF2alpha in complex with compound 2023-08-31 2023-09-13 Nawrotek, A.,Vuillard, L.,Miallau, L. PKR kinase domain- eIF2alpha in complex with compound To Be Published 0 0 0 0 8BJJ 37747912 ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to ATP-Mg-actin, human profilin 1 and a sulfate ion 2022-11-04 2023-09-20 Teixeira-Nunes, M.,Retailleau, P.,Raoux-Barbot, D.,Comisso, M.,Missinou, A.A.,Velours, C.,Plancqueel, S.,Ladant, D.,Mechold, U.,Renault, L. Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin. Plos Pathog. 2023 19 0 0 8BO1 37747912 ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions 2022-11-14 2023-09-20 Teixeira-Nunes, M.,Retailleau, P.,Raoux-Barbot, D.,Comisso, M.,Missinou, A.A.,Velours, C.,Plancqueel, S.,Ladant, D.,Mechold, U.,Renault, L. Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin. Plos Pathog. 2023 19 0 0 8EHH Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution 2022-09-14 2023-09-20 Ghiglione, B.,Rodriguez, M.M.,Gutkind, G.,Bonomo, R.A.,Klinke, S.,Power, P. Biochemical and structural evidences of the activity of relebactam as inhibitor of the extended-spectrum beta-lactamase CTX-M-96. To be published 0 0 0 0 8EO6 Crystal structure of metagenomic class A beta-lactamase precursor LRA-5 in complex with ceftazidime at 2.35 Angstrom resolution 2022-10-02 2023-10-04 D'Amico Gonzalez, G.,Handelsman, J.,Centron, D.,Gutkind, G.,Klinke, S.,Power, P. Playing beta-Lactamase Evolution: Metagenomic Class A beta-Lactamase LRA-5 is an Inactive Enzyme Capable of Rendering an Active beta-Lactamase by Introduction of Y69Q and V166E Substitutions to be published 0 0 0 0 8Q68 37748190 Crystal structure of TEAD1-YBD in complex with irreversible compound SWTX-143 2023-08-11 2023-10-04 Hillen, H.,Candi, A.,Vanderhoydonck, B.,Kowalczyk, W.,Sansores-Garcia, L.,Kesikiadou, E.C.,Van Huffel, L.,Spiessens, L.,Nijs, M.,Soons, E.,Haeck, W.,Klaassen, H.,Smets, W.,Spieser, S.A.,Marchand, A.,Chaltin, P.,Ciesielski, F.,Debaene, F.,Chen, L.,Kamal, A.,Gwaltney, S.L.,Versele, M.,Halder, G.A. A Novel Irreversible TEAD Inhibitor, SWTX-143, Blocks Hippo Pathway Transcriptional Output and Causes Tumor Regression in Preclinical Mesothelioma Models. Mol.Cancer Ther. 2024 23 3 13 7ZJ1 Crystal structure of ADAR1-dsRBD3 dimer 2022-04-08 2023-10-25 Mboukou, A.,Rajendra, V.,Messmer, S.,Catala, M.,Tisne, C.,Jantsch, M.F.,Barraud, P. Dimerization of ADAR1 modulates site-specificity of RNA editing Biorxiv 2023 0 0 0 7ZLQ Crystal structure of ADAR1-dsRBD3 dimer in complex with dsRNA 2022-04-15 2023-10-25 Mboukou, A.,Rajendra, V.,Messmer, S.,Catala, M.,Tisne, C.,Jantsch, M.F.,Barraud, P. Dimerization of ADAR1 modulates site-specificity of RNA editing Biorxiv 2023 0 0 0 8OPR 37923757 Structure of the EA1 surface layer of Bacillus anthracis 2023-04-07 2023-11-08 Sogues, A.,Fioravanti, A.,Jonckheere, W.,Pardon, E.,Steyaert, J.,Remaut, H. Structure and function of the EA1 surface layer of Bacillus anthracis. Nat Commun 2023 14 7051 7051 8QC4 38004425 M. tuberculosis salicylate synthase MbtI in complex with 5-(3-carboxyphenyl)furan-2-carboxylic acid 2023-08-25 2023-11-15 Mori, M.,Villa, S.,Chiarelli, L.R.,Meneghetti, F.,Bellinzoni, M. Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery. Pharmaceuticals 2023 16 0 0 8QN5 38004425 M. tuberculosis salicylate synthase MbtI in complex with methyl-AMT (new crystal form) 2023-09-25 2023-11-15 Mori, M.,Villa, S.,Chiarelli, L.R.,Meneghetti, F.,Bellinzoni, M. Structural Study of a New MbtI-Inhibitor Complex: Towards an Optimized Model for Structure-Based Drug Discovery. Pharmaceuticals 2023 16 0 0 8BM3 H207A mutant of E. coli PgpB, a PAP2 type phosphatidyl glycerol phosphate and C55-PP phosphatase, in complex with farnesyl pyrophosphate 2022-11-10 2023-11-22 Delbrassine, F.,El Ghachi, M.,Lambion, A.,Herman, R.,Kerff, F. H207A mutant of E. coli PgpB, a PAP2 type phosphatidyl glycerol phosphate and C55-PP phosphatase, in complex with farnesyl pyrophosphate To Be Published 0 0 0 0 8BUY Rac-binding domain of human MiniBAR 2022-12-01 2023-12-13 Shaughnessy, R.,Serres, M.,Escot, S.,Hammich, H.,Cuvelier, F.,Rocancourt, M.,Verdon, Q.,Gaffuri, A.,Sourigues, Y.,Malherbe, G.,Velikovsky, L.,Chardon, F.,Thinevez, J.,Callebaut, I.,Formstecher, E.,Houdusse, A.,David, N.,Pylypenko, O.,Echard, A. MiniBAR/KIAA0355 is a dual Rac and Rab effector that controls actin contractility and trafficking for successful ciliogenesis To Be Published 0 0 0 0 8HV1 Crystal structure of EGFR_DMX in complex with covalently bound fragment 1 2022-12-26 2023-12-13 Kuki, N.,Walmsley, D.L.,Kanai, K.,Takechi, S.,Yoshida, M.,Murakami, R.,Takano, K.,Tominaga, Y.,Takahashi, M.,Ito, S.,Nakao, N.,Angove, H.,Baker, L.M.,Carter, E.,Dokurno, P.,Strat, L.L.,Macias, A.T.,Molyneaux, C.A.,Murray, J.B.,Surgenor, A.E.,Hamada, T.,Hubbard, R.E. A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase. Rsc Med Chem 2023 0 0 0 8QYP 38014327 Beta-cardiac myosin motor domain in the pre-powerstroke state 2023-10-26 2023-12-13 Auguin, D.,Robert-Paganin, J.,Rety, S.,Kikuti, C.,David, A.,Theumer, G.,Schmidt, A.W.,Knolker, H.J.,Houdusse, A. Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv 2023 0 0 0 8QYU 38014327 Beta-cardiac myosin S1 fragment in the pre-powerstroke state complexed to Omecamtiv mecarbil 2023-10-26 2023-12-13 Auguin, D.,Robert-Paganin, J.,Rety, S.,Kikuti, C.,David, A.,Theumer, G.,Schmidt, A.W.,Knolker, H.J.,Houdusse, A. Omecamtiv mecarbil and Mavacamten target the same myosin pocket despite antagonistic effects in heart contraction. Biorxiv 2023 0 0 0 8BZ5 Crystal structure of the L. monocytogenes RmlT in complex with HEPES 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 HEPES To Be Published 0 0 0 0 8BZ8 Crystal structure of the L. monocytogenes RmlT D198A variant 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 D198A variant in complex with TDP-rhamnose To Be Published 0 0 0 0 8PYW 38096103 Crystal structure of the human Nucleoside-diphosphate kinase B domain bound to compound diphosphate form of AT-9052-Sp. 2023-07-26 2023-12-27 Shannon, A.,Chazot, A.,Feracci, M.,Falcou, C.,Fattorini, V.,Selisko, B.,Good, S.,Moussa, A.,Sommadossi, J.P.,Ferron, F.,Alvarez, K.,Canard, B. An exonuclease-resistant chain-terminating nucleotide analogue targeting the SARS-CoV-2 replicase complex. Nucleic Acids Res. 2024 52 1325 1340 8R8C 38410776 Structure of the N-terminal domain of CMA from Cucumis melo in complex with N-acetylgalactosamine 2023-11-28 2023-12-27 Lundstrom, J.,Gillon, E.,Chazalet, V.,Kerekes, N.,Di Maio, A.,Feizi, T.,Liu, Y.,Varrot, A.,Bojar, D. Elucidating the glycan-binding specificity and structure of Cucumis melo agglutinin, a new R-type lectin. Beilstein J Org Chem 2024 20 306 320 8C1E Aurora A kinase in complex with TPX2-inhibitor 9 2022-12-20 2024-01-10 Stockwell, S.,Scott, D.,Fischer, G.,Guarino Almeida, E.,Rooney, T.,Feng, J.,Moschetti, T.,Dagostin, C.,Alcaide-Lopez, A.,Rocaboy, M.,Srinivasan, R.,Asteian, A.,Alza, E.,Blaszczyk, B.,Wang, X.,Rossmann, M.,Perrior, T.,Blundell, T.L.,Spring, D.R.,McKenzie, G.,Abell, C.,Skidmore, J.,Venkitaraman, A.,Hyvonen, M. Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published 0 0 0 0 8C6R 38058289 PBP AccA from A. tumefaciens Bo542 in apoform 4 2023-01-12 2024-01-24 Morera, S.,Vigouroux, A.,Aumont-Nicaise, M.,Ahmar, M.,Meyer, T.,El Sahili, A.,Deicsics, G.,Gonzalez-Mula, A.,Li, S.,Dore, J.,Sirigu, S.,Legrand, P.,Penot, C.,Andre, F.,Faure, D.,Soulere, L.,Queneau, Y.,Vial, L. A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J. 2024 481 93 117 8C6U 38058289 PBP AccA-G145YG440Q mutant from A. tumefaciens Bo542 in apoform 4 2023-01-12 2024-01-24 Morera, S.,Vigouroux, A.,Aumont-Nicaise, M.,Ahmar, M.,Meyer, T.,El Sahili, A.,Deicsics, G.,Gonzalez-Mula, A.,Li, S.,Dore, J.,Sirigu, S.,Legrand, P.,Penot, C.,Andre, F.,Faure, D.,Soulere, L.,Queneau, Y.,Vial, L. A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J. 2024 481 93 117 8C6W 38058289 PBP AccA from A. tumefaciens Bo542 in apoform 1 2023-01-12 2024-01-24 Morera, S.,Vigouroux, A.,Aumont-Nicaise, M.,Ahmar, M.,Meyer, T.,El Sahili, A.,Deicsics, G.,Gonzalez-Mula, A.,Li, S.,Dore, J.,Sirigu, S.,Legrand, P.,Penot, C.,Andre, F.,Faure, D.,Soulere, L.,Queneau, Y.,Vial, L. A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J. 2024 481 93 117 8C75 38058289 PBP AccA from A. tumefaciens Bo542 in apoform 3 2023-01-12 2024-01-24 Morera, S.,Vigouroux, A.,Aumont-Nicaise, M.,Ahmar, M.,Meyer, T.,El Sahili, A.,Deicsics, G.,Gonzalez-Mula, A.,Li, S.,Dore, J.,Sirigu, S.,Legrand, P.,Penot, C.,Andre, F.,Faure, D.,Soulere, L.,Queneau, Y.,Vial, L. A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J. 2024 481 93 117 8CAY 38058289 PBP AccA from A. tumefaciens Bo542 in complex with Agrocinopine D-like 2023-01-24 2024-01-24 Morera, S.,Vigouroux, A.,Aumont-Nicaise, M.,Ahmar, M.,Meyer, T.,El Sahili, A.,Deicsics, G.,Gonzalez-Mula, A.,Li, S.,Dore, J.,Sirigu, S.,Legrand, P.,Penot, C.,Andre, F.,Faure, D.,Soulere, L.,Queneau, Y.,Vial, L. A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J. 2024 481 93 117 8CH1 38058289 PBP AccA from A. vitis S4 in complex with Agrocinopine A 2023-02-06 2024-01-24 Morera, S.,Vigouroux, A.,Aumont-Nicaise, M.,Ahmar, M.,Meyer, T.,El Sahili, A.,Deicsics, G.,Gonzalez-Mula, A.,Li, S.,Dore, J.,Sirigu, S.,Legrand, P.,Penot, C.,Andre, F.,Faure, D.,Soulere, L.,Queneau, Y.,Vial, L. A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J. 2024 481 93 117 8CH2 38058289 PBP AccA from A. vitis S4 in complex with L-arabinose-2-phosphate (A2P) 2023-02-06 2024-01-24 Morera, S.,Vigouroux, A.,Aumont-Nicaise, M.,Ahmar, M.,Meyer, T.,El Sahili, A.,Deicsics, G.,Gonzalez-Mula, A.,Li, S.,Dore, J.,Sirigu, S.,Legrand, P.,Penot, C.,Andre, F.,Faure, D.,Soulere, L.,Queneau, Y.,Vial, L. A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J. 2024 481 93 117 8CH3 38058289 PBP AccA from A. vitis S4 in complex with Agrocinopine C-like 2023-02-06 2024-01-24 Morera, S.,Vigouroux, A.,Aumont-Nicaise, M.,Ahmar, M.,Meyer, T.,El Sahili, A.,Deicsics, G.,Gonzalez-Mula, A.,Li, S.,Dore, J.,Sirigu, S.,Legrand, P.,Penot, C.,Andre, F.,Faure, D.,Soulere, L.,Queneau, Y.,Vial, L. A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J. 2024 481 93 117 8CKD 38058289 PBP AccA from A. fabrum C58 in complex with agrocinopine D-like 2023-02-15 2024-01-24 Morera, S.,Vigouroux, A.,Aumont-Nicaise, M.,Ahmar, M.,Meyer, T.,El Sahili, A.,Deicsics, G.,Gonzalez-Mula, A.,Li, S.,Dore, J.,Sirigu, S.,Legrand, P.,Penot, C.,Andre, F.,Faure, D.,Soulere, L.,Queneau, Y.,Vial, L. A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J. 2024 481 93 117 8CKO 38058289 PBP AccA from A.tumefaciens C58 in complex with agrocinopine C-like 2023-02-16 2024-01-24 Morera, S.,Vigouroux, A.,Aumont-Nicaise, M.,Ahmar, M.,Meyer, T.,El Sahili, A.,Deicsics, G.,Gonzalez-Mula, A.,Li, S.,Dore, J.,Sirigu, S.,Legrand, P.,Penot, C.,Andre, F.,Faure, D.,Soulere, L.,Queneau, Y.,Vial, L. A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity. Biochem.J. 2024 481 93 117 8CKT Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide 2023-02-16 2024-02-28 Nisler, J.,Koncitikova, R.,Klimes, P.,Kadlecova, A.,Murvanidze, N.,Kopecny, D.,Werbrouck, S.P.O.,de Diego, N.,Havlicek, L.,Briozzo, P.,Morera, S.,Zalabak, D.,Spichal, L. Cytokinin oxidase/dehydrogenase inhibitors: progress toward a practice To Be Published 0 0 0 0 8CM2 Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide 2023-02-17 2024-02-28 Nisler, J.,Koncitikova, R.,Klimes, P.,Kadlecova, A.,Murvanidze, N.,Kopecny, D.,Werbrouck, S.P.O.,de Diego, N.,Havlicek, L.,Briozzo, P.,Morera, S.,Zalabak, D.,Spichal, L. Cytokinin oxidase/dehydrogenase inhibitors: progress toward a practice To Be Published 0 0 0 0 8UH1 38272944 Crystal structure of T. brucei EIF4E6 in complex with EIF4G5 peptide 2023-10-06 2024-02-28 Ferras Penteado, R.,Santana da Silva, R.,Nascimento Moura, D.M.,Barbosa de Lima, G.,Muniz Malvezzi, A.,Tamara da Silva Monteiro, T.,Cavalcanti Xavier, C.,Vichier-Guerre, S.,Dugue, L.,Pochet, S.,Tonin Zanchin, N.I.,de Souza Reis, C.R.,Pompilio de Melo Neto, O.,Gomes Guimaraes, B. Structural analysis of the Trypanosoma brucei EIF4E6/EIF4G5 complex reveals details of the interaction between unusual eIF4F subunits. Sci Rep 2024 14 2178 2178 8CN0 Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A 2023-02-21 2024-03-06 Mechaly, A.E.,Zhang, W.,Haouz, A.,Green, M.,Rodrigues-Lima, F. Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A To Be Published 0 0 0 0 8Q6A 38463617 The RSL-D32N - sulfonato-calix[8]arene complex, I213 form, citrate pH 4.0 2023-08-11 2024-03-06 Flood, R.J.,Mockler, N.M.,Thureau, A.,Malinska, M.,Crowley, P.B. Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des. 2024 24 2149 2156 8Q6B 38463617 The RSL-D32N - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, obtained by cross-seeding 2023-08-11 2024-03-06 Flood, R.J.,Mockler, N.M.,Thureau, A.,Malinska, M.,Crowley, P.B. Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des. 2024 24 2149 2156 8Q6C 38463617 The RSL-D32N - sulfonato-calix[8]arene complex, P63 form, acetate pH 4.0 2023-08-11 2024-03-06 Flood, R.J.,Mockler, N.M.,Thureau, A.,Malinska, M.,Crowley, P.B. Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des. 2024 24 2149 2156 8R3B 38227741 Cocrystal form I of the Pent - sulfonato-calix[8]arene complex 2023-11-08 2024-03-06 Flood, R.J.,Cerofolini, L.,Fragai, M.,Crowley, P.B. Multivalent Calixarene Complexation of a Designed Pentameric Lectin. Biomacromolecules 2024 25 1303 1309 8R3C 38227741 Cocrystal form II of the Pent - sulfonato-calix[8]arene complex 2023-11-08 2024-03-06 Flood, R.J.,Cerofolini, L.,Fragai, M.,Crowley, P.B. Multivalent Calixarene Complexation of a Designed Pentameric Lectin. Biomacromolecules 2024 25 1303 1309 8R3D 38227741 Crystal structure of Pent only at pH 8.8 2023-11-08 2024-03-06 Flood, R.J.,Cerofolini, L.,Fragai, M.,Crowley, P.B. Multivalent Calixarene Complexation of a Designed Pentameric Lectin. Biomacromolecules 2024 25 1303 1309 8RWU 38370614 ACDC domain of the AP2-I transcription factor from Plasmodium falciparum 2024-02-05 2024-03-06 Le Berre, M.,Tubiana, T.,Reutersward Waldner, P.,Lazar, N.,Li de la Sierra, I.,Santos, J.M.,Llinas, M.,Nessler, S. Structural characterization of the ACDC domain from ApiAP2 proteins of the malaria parasite. Biorxiv 2024 0 0 0 8RXA 38370614 ACDC domain of AP2-O5 from Plasmodium falciparum 2024-02-06 2024-03-06 Le Berre, M.,Tubiana, T.,Reutersward Waldner, P.,Lazar, N.,Li de la Sierra, I.,Santos, J.M.,Llinas, M.,Nessler, S. Structural characterization of the ACDC domain from ApiAP2 proteins of the malaria parasite. Biorxiv 2024 0 0 0 8OF3 Structure of the apoform of ALDEHYDE DEHYDROGENASE 5F1 (ALDH5F1) from the moss Physcomitrium patens 2023-03-13 2024-03-27 Kopecny, D.J.,Belicek, D.,Vigouroux, A.,Luptakova, E.,Koncitikova, R.,von Schwartzenberg, K.,Cavar Zeljkovic, S.,Supikova, K.,Gruz, J.,Valarik, M.,Bergougnoux, V.,Kopecny, D.,Morera, S.,Kopecna, M. A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway To Be Published 0 0 0 0 8OFM Structure of the ALDEHYDE DEHYDROGENASE 5F1 (ALDH5F1) from the moss Physcomitrium patens in complex with NAD in an extended conformation 2023-03-16 2024-03-27 Kopecny, D.J.,Belicek, D.,Vigouroux, A.,Luptakova, E.,Koncitikova, R.,von Schwartzenberg, K.,Cavar Zeljkovic, S.,Supikova, K.,Gruz, J.,Valarik, M.,Bergougnoux, V.,Kopecny, D.,Morera, S.,Kopecna, M. A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway To Be Published 0 0 0 0