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Nature 2016 536 48 53 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 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. 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Molecular Insights into the Mechanism of Calmodulin Inhibition of the EAG1 Potassium Channel. Structure 2016 24 1742 1754 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. J.Biol.Chem. 2016 291 22638 22649 5L9O 27609514 Crystal structure of Agrobacterium tumefaciens C58 strain PBP SocA 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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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. 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Nat Commun 2017 8 14937 14937 5FWO 28471361 Llama nanobody PorM_130 2016-02-18 2017-05-03 Duhoo, Y.,Roche, J.,Trinh, T.T.N.,Desmyter, A.,Gaubert, A.,Kellenberger, C.,Cambillau, C.,Roussel, A.,Leone, P. Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis. Acta Crystallogr F Struct Biol 2017 73 286 293 5LYC 28407337 Cytochrome c in complex with phosphonato-calix[6]arene 2016-09-27 2017-05-10 Rennie, M.L.,Doolan, A.M.,Raston, C.L.,Crowley, P.B. Protein Dimerization on a Phosphonated Calix[6]arene Disc. Angew. Chem. Int. Ed. Engl. 2017 56 5517 5521 5JRM Crystal Structure of a Xylanase at 1.56 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 at 1.56 Angstroem resolution To Be Published 0 0 0 0 5MOD 28495381 Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound 2016-12-14 2017-05-24 De Fusco, C.,Brear, P.,Iegre, J.,Georgiou, K.H.,Sore, H.F.,Hyvonen, M.,Spring, D.R. A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem. 2017 25 3471 3482 5N0A 28534525 Crystal structure of A259C covalently linked dengue 2 virus envelope glycoprotein dimer in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 A11 2017-02-02 2017-06-07 Rouvinski, A.,Dejnirattisai, W.,Guardado-Calvo, P.,Vaney, M.C.,Sharma, A.,Duquerroy, S.,Supasa, P.,Wongwiwat, W.,Haouz, A.,Barba-Spaeth, G.,Mongkolsapaya, J.,Rey, F.A.,Screaton, G.R. Covalently linked dengue virus envelope glycoprotein dimers reduce exposure of the immunodominant fusion loop epitope. Nat Commun 2017 8 15411 15411 5MKP 28655838 Non redox thiolation in transfer RNAs occuring via sulfur activation by a [4Fe-4S] cluster 2016-12-05 2017-06-14 Arragain, S.,Bimai, O.,Legrand, P.,Caillat, S.,Ravanat, J.L.,Touati, N.,Binet, L.,Atta, M.,Fontecave, M.,Golinelli-Pimpaneau, B. Nonredox thiolation in tRNA occurring via sulfur activation by a [4Fe-4S] cluster. Proc. Natl. Acad. Sci. U.S.A. 2017 114 7355 7360 5K8W Crystal structure of mouse CARM1 in complex with inhibitor U2 2016-05-31 2017-06-21 Cura, V.,Marechal, N.,Mailliot, J.,Troffer-Charlier, N.,Wurtz, J.M.,Bonnefond, L.,Cavarelli, J. Crystal structure of mouse CARM1 in complex with inhibitor U2 To Be Published 0 0 0 0 5L6T CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER 2016-05-31 2017-06-21 Vallade, M.,Fischer, L.,Langlois d'Estaintot, B.,Granier, T.,Huc, I. CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER To Be Published 0 0 0 0 5L70 CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER 2016-06-01 2017-06-21 Vallade, M.,Fischer, L.,Langlois d'Estaintot, B.,Granier, T.,Huc, I. CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER To Be Published 0 0 0 0 5L9E CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER 2016-06-10 2017-06-21 Vallade, M.,Fischer, L.,Langlois d'Estaintot, B.,Granier, T.,Huc, I. 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Chemistry 2018 24 984 991 5LJF Crystal structure of the endo-1,4-glucanase RBcel1 E135A with cellotriose 2016-07-18 2017-08-02 Collet, L.,Dutoit, R.,Galleni, M.,Bauvois, C. Crystal structure of the endo-1,4-glucanase RBcel1 E135A with cellotriose To Be Published 0 0 0 0 5N6A 28775348 Cardiac muscle myosin motor domain in the pre-powerstroke state 2017-02-14 2017-08-09 Planelles-Herrero, V.J.,Hartman, J.J.,Robert-Paganin, J.,Malik, F.I.,Houdusse, A. Mechanistic and structural basis for activation of cardiac myosin force production by omecamtiv mecarbil. Nat Commun 2017 8 190 190 5NCR 28754374 OH1 from the Orf virus: a tyrosine phosphatase that displays distinct structural features and triple substrate specificity 2017-03-06 2017-08-09 Segovia, D.,Haouz, A.,Porley, D.,Olivero, N.,Martinez, M.,Mariadassou, M.,Berois, M.,Andre-Leroux, G.,Villarino, A. OH1 from Orf Virus: A New Tyrosine Phosphatase that Displays Distinct Structural Features and Triple Substrate Specificity. J. Mol. 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Plant J. 2017 92 229 243 5LOD 28795598 Crystal structure of HhaI DNA methyltransferase in APO form 2016-08-09 2017-08-16 Rondelet, G.,Fleury, L.,Faux, C.,Masson, V.,Dubois, J.,Arimondo, P.B.,Willems, L.,Wouters, J. Inhibition studies of DNA methyltransferases by maleimide derivatives of RG108 as non-nucleoside inhibitors. Future Med Chem 2017 9 1465 1481 5LV5 29685976 Crystal structure of mouse PRMT6 in complex with inhibitor LH1458 2016-09-12 2017-09-20 Halby, L.,Marechal, N.,Pechalrieu, D.,Cura, V.,Franchini, D.M.,Faux, C.,Alby, F.,Troffer-Charlier, N.,Kudithipudi, S.,Jeltsch, A.,Aouadi, W.,Decroly, E.,Guillemot, J.C.,Page, P.,Ferroud, C.,Bonnefond, L.,Guianvarc'h, D.,Cavarelli, J.,Arimondo, P.B. Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos. Trans. R. Soc. 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The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure 2017 25 1732 173900000 5T8W 29125201 Cytochrome c - calixarene free 2016-09-08 2017-11-01 Doolan, A.M.,Rennie, M.L.,Crowley, P.B. Protein Recognition by Functionalized Sulfonatocalix[4]arenes. Chemistry 2018 24 984 991 5LIL 29109272 Structure of Aggregatibacter actinomycetemcomitans MacB bound to ATPyS (P21) 2016-07-15 2017-11-15 Crow, A.,Greene, N.P.,Kaplan, E.,Koronakis, V. Structure and mechanotransmission mechanism of the MacB ABC transporter superfamily. Proc. Natl. Acad. Sci. U.S.A. 2017 114 12572 12577 5OGK 29143814 Crystal structure of a nucleotide sugar transporter with bound nucleotide sugar. 2017-07-13 2017-11-22 Parker, J.L.,Newstead, S. Structural basis of nucleotide sugar transport across the Golgi membrane. Nature 2017 551 521 524 5M41 29093459 Crystal structure of nigritoxine 2016-10-17 2017-12-06 Labreuche, Y.,Chenivesse, S.,Jeudy, A.,Le Panse, S.,Boulo, V.,Ansquer, D.,Pages, S.,Givaudan, A.,Czjzek, M.,Le Roux, F. Nigritoxin is a bacterial toxin for crustaceans and insects. Nat Commun 2017 8 1248 1248 5OLC 29162826 Crystal structure of the 3,6-anhydro-D-galactonate cycloisomerase from Zobellia galactanivorans 2017-07-27 2017-12-06 Ficko-Blean, E.,Prechoux, A.,Thomas, F.,Rochat, T.,Larocque, R.,Zhu, Y.,Stam, M.,Genicot, S.,Jam, M.,Calteau, A.,Viart, B.,Ropartz, D.,Perez-Pascual, D.,Correc, G.,Matard-Mann, M.,Stubbs, K.A.,Rogniaux, H.,Jeudy, A.,Barbeyron, T.,Medigue, C.,Czjzek, M.,Vallenet, D.,McBride, M.J.,Duchaud, E.,Michel, G. Carrageenan catabolism is encoded by a complex regulon in marine heterotrophic bacteria. Nat Commun 2017 8 1685 1685 5MP2 29042493 XcpQN012 in complex with VHH04 2016-12-15 2017-12-13 Douzi, B.,Trinh, N.T.T.,Michel-Souzy, S.,Desmyter, A.,Ball, G.,Barbier, P.,Kosta, A.,Durand, E.,Forest, K.T.,Cambillau, C.,Roussel, A.,Voulhoux, R. Unraveling the Self-Assembly of the Pseudomonas aeruginosa XcpQ Secretin Periplasmic Domain Provides New Molecular Insights into Type II Secretion System Secreton Architecture and Dynamics. MBio 2017 8 0 0 5MI9 29546243 Structure of the phosphomimetic mutant of the elongation factor EF-Tu T62E 2016-11-27 2017-12-20 Talavera, A.,Hendrix, J.,Versees, W.,Jurenas, D.,Van Nerom, K.,Vandenberk, N.,Singh, R.K.,Konijnenberg, A.,De Gieter, S.,Castro-Roa, D.,Barth, A.,De Greve, H.,Sobott, F.,Hofkens, J.,Zenkin, N.,Loris, R.,Garcia-Pino, A. Phosphorylation decelerates conformational dynamics in bacterial translation elongation factors. Sci Adv 2018 4 0 0 5N6O 29089502 Wild type GDP form Rac1 2017-02-15 2017-12-27 Ferrandez, Y.,Zhang, W.,Peurois, F.,Akendengue, L.,Blangy, A.,Zeghouf, M.,Cherfils, J. Allosteric inhibition of the guanine nucleotide exchange factor DOCK5 by a small molecule. Sci Rep 2017 7 14409 14409 6EI9 29294097 Crystal structure of E. coli tRNA-dihydrouridine synthase B (DusB) 2017-09-18 2018-01-17 Bou-Nader, C.,Montemont, H.,Guerineau, V.,Jean-Jean, O.,Bregeon, D.,Hamdane, D. Unveiling structural and functional divergences of bacterial tRNA dihydrouridine synthases: perspectives on the evolution scenario. Nucleic Acids Res. 2018 46 1386 1394 6ESX 29367337 Caulobacter crescentus Trx1 2017-10-24 2018-01-31 Goemans, C.V.,Beaufay, F.,Wahni, K.,Van Molle, I.,Messens, J.,Collet, J.F. An essential thioredoxin is involved in the control of the cell cycle in the bacterium J. Biol. Chem. 2018 293 3839 3848 5NM6 29248541 Chicken GRIFIN (crystallisation pH: 4.6) 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 6F34 29416041 Crystal structure of a bacterial cationic amino acid transporter (CAT) homologue bound to Arginine. 2017-11-27 2018-02-14 Jungnickel, K.E.J.,Parker, J.L.,Newstead, S. Structural basis for amino acid transport by the CAT family of SLC7 transporters. Nat Commun 2018 9 550 550 5MVN 29694907 X-ray structure of the M205W mutant of GLIC in complex with propofol 2017-01-16 2018-02-14 Fourati, Z.,Howard, R.J.,Heusser, S.A.,Hu, H.,Ruza, R.R.,Sauguet, L.,Lindahl, E.,Delarue, M. Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep 2018 23 993 1004 5NUE 29194485 Cytosolic Malate Dehydrogenase 1 (peroxide-treated) 2017-04-29 2018-02-28 Huang, J.,Niazi, A.K.,Young, D.,Rosado, L.A.,Vertommen, D.,Bodra, N.,Abdelgawwad, M.R.,Vignols, F.,Wei, B.,Wahni, K.,Bashandy, T.,Bariat, L.,Van Breusegem, F.,Messens, J.,Reichheld, J.P. Self-protection of cytosolic malate dehydrogenase against oxidative stress in Arabidopsis. J. Exp. Bot. 2018 69 3491 3505 5UYR Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP mutant D199A from Xanthomonas campestris 2017-02-24 2018-02-28 Otero, L.H.,Klinke, S.,Goldbaum, F.A.,Bonomi, H.R. Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP mutant D199A from Xanthomonas campestris To Be Published 0 0 0 0 5MZQ 29694907 X-ray structure of the M205W mutant of GLIC in complex with bromoform 2017-02-01 2018-02-28 Fourati, Z.,Howard, R.J.,Heusser, S.A.,Hu, H.,Ruza, R.R.,Sauguet, L.,Lindahl, E.,Delarue, M. 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Chem. 2018 61 4421 4435 6ESM 29727184 Crystal structure of MMP9 in complex with inhibitor BE4. 2017-10-23 2018-05-16 Nuti, E.,Cuffaro, D.,Bernardini, E.,Camodeca, C.,Panelli, L.,Chaves, S.,Ciccone, L.,Tepshi, L.,Vera, L.,Orlandini, E.,Nencetti, S.,Stura, E.A.,Santos, M.A.,Dive, V.,Rossello, A. Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem. 2018 61 4421 4435 5NE6 Crystal structure of dimeric TmPep1050 aminopeptidase 2017-03-10 2018-05-16 Dutoit, R.,Brandt, N.,Bauvois, C. Crystal structure of dimeric TmPep1050 aminopeptidase To Be Published 0 0 0 0 5NE7 Crystal structure of H60A mutant of Thermotoga maritima TmPEP1050 aminopeptidase 2017-03-10 2018-05-16 Dutoit, R. 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Targeting PWWP domain of DNA methyltransferase 3B for epigenetic cancer therapy: Identification and structural characterization of new potential protein-protein interaction inhibitors To be published 0 0 0 0 6EMT 29848639 Crystal Structure of dual specific Trm10 construct from Thermococcus kodakaraensis. 2017-10-03 2018-06-13 Singh, R.K.,Feller, A.,Roovers, M.,Van Elder, D.,Wauters, L.,Droogmans, L.,Versees, W. Structural and biochemical analysis of the dual-specificity Trm10 enzyme fromThermococcus kodakaraensisprompts reconsideration of its catalytic mechanism. RNA 2018 24 1080 1092 6EMV 29848639 Crystal Structure of dual specific Trm10 construct from Thermococcus kodakaraensis. 2017-10-03 2018-06-13 Singh, R.K.,Feller, A.,Roovers, M.,Van Elder, D.,Wauters, L.,Droogmans, L.,Versees, W. Structural and biochemical analysis of the dual-specificity Trm10 enzyme fromThermococcus kodakaraensisprompts reconsideration of its catalytic mechanism. RNA 2018 24 1080 1092 6EMU 29848639 Crystal Structure of dual specific Trm10 construct from Thermococcus kodakaraensis. 2017-10-03 2018-06-13 Singh, R.K.,Feller, A.,Roovers, M.,Van Elder, D.,Wauters, L.,Droogmans, L.,Versees, W. Structural and biochemical analysis of the dual-specificity Trm10 enzyme fromThermococcus kodakaraensisprompts reconsideration of its catalytic mechanism. RNA 2018 24 1080 1092 6EMS 29848639 Crystal Structure of dual specific Trm10 construct from Thermococcus kodakaraensis. 2017-10-03 2018-06-13 Singh, R.K.,Feller, A.,Roovers, M.,Van Elder, D.,Wauters, L.,Droogmans, L.,Versees, W. Structural and biochemical analysis of the dual-specificity Trm10 enzyme fromThermococcus kodakaraensisprompts reconsideration of its catalytic mechanism. RNA 2018 24 1080 1092 5NRV Human DNMT3B PWWP domain in complex with 6-dipropylamino-1-hexanol 2017-04-25 2018-06-13 Rondelet, G.,Dal Maso, T.,Maniquet, A.,Themans, Q.,Wouters, J. Targeting PWWP domain of DNA methyltransferase 3B for epigenetic cancer therapy: Identification and structural characterization of new potential protein-protein interaction inhibitors To be published 0 0 0 0 6EN3 29760474 Crystal structure of full length EndoS from Streptococcus pyogenes in complex with G2 oligosaccharide. 2017-10-04 2018-06-13 Trastoy, B.,Klontz, E.,Orwenyo, J.,Marina, A.,Wang, L.X.,Sundberg, E.J.,Guerin, M.E. Structural basis for the recognition of complex-type N-glycans by Endoglycosidase S. Nat Commun 2018 9 1874 1874 6F5Z 30010922 Complex between the Haloferax volcanii Trm112 methyltransferase activator and the Hvo_0019 putative methyltransferase 2017-12-04 2018-07-11 van Tran, N.,Muller, L.,Ross, R.L.,Lestini, R.,Letoquart, J.,Ulryck, N.,Limbach, P.A.,de Crecy-Lagard, V.,Cianferani, S.,Graille, M. Evolutionary insights into Trm112-methyltransferase holoenzymes involved in translation between archaea and eukaryotes. Nucleic Acids Res. 2018 46 8483 8499 6F8S 30814507 Toxin-Antitoxin complex GraTA 2017-12-13 2018-07-11 Talavera, A.,Tamman, H.,Ainelo, A.,Konijnenberg, A.,Hadzi, S.,Sobott, F.,Garcia-Pino, A.,Horak, R.,Loris, R. A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT. Nat Commun 2019 10 972 972 6GZP 31098026 Llama nanobody PorM_02 structure determined at room temperature by in-situ diffraction in ChipX microfluidic device 2018-07-04 2018-07-18 de Wijn, R.,Hennig, O.,Roche, J.,Engilberge, S.,Rollet, K.,Fernandez-Millan, P.,Brillet, K.,Betat, H.,Morl, M.,Roussel, A.,Girard, E.,Mueller-Dieckmann, C.,Fox, G.C.,Olieric, V.,Gavira, J.A.,Lorber, B.,Sauter, C. A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj 2019 6 454 464 6EP3 30011022 Lar controls the expression of the Listeria monocytogenes agr system and mediates virulence. 2017-10-10 2018-07-25 Pinheiro, J.,Lisboa, J.,Pombinho, R.,Carvalho, F.,Carreaux, A.,Brito, C.,Pontinen, A.,Korkeala, H.,Dos Santos, N.M.S.,Morais-Cabral, J.H.,Sousa, S.,Cabanes, D. MouR controls the expression of the Listeria monocytogenes Agr system and mediates virulence. Nucleic Acids Res. 2018 46 9338 9352 5Z89 30021834 Structural basis for specific inhibition of highly sensitive ShHTL7 receptor 2018-01-31 2018-07-25 Shahul Hameed, U.,Haider, I.,Jamil, M.,Kountche, B.A.,Guo, X.,Zarban, R.A.,Kim, D.,Al-Babili, S.,Arold, S.T. Structural basis for specific inhibition of the highly sensitive ShHTL7 receptor. EMBO Rep. 2018 19 0 0 6EUQ 29530612 MdfA(Q131R/L339E) 2017-10-31 2018-08-08 Zomot, E.,Yardeni, E.H.,Vargiu, A.V.,Tam, H.K.,Malloci, G.,Ramaswamy, V.K.,Perach, M.,Ruggerone, P.,Pos, K.M.,Bibi, E. A New Critical Conformational Determinant of Multidrug Efflux by an MFS Transporter. J. Mol. Biol. 2018 430 1368 1385 6GHD 30137533 Structural analysis of the ternary complex between lamin A/C, BAF and emerin identifies an interface disrupted in autosomal recessive progeroid diseases 2018-05-07 2018-08-08 Samson, C.,Petitalot, A.,Celli, F.,Herrada, I.,Ropars, V.,Le Du, M.H.,Nhiri, N.,Jacquet, E.,Arteni, A.A.,Buendia, B.,Zinn-Justin, S. Structural analysis of the ternary complex between lamin A/C, BAF and emerin identifies an interface disrupted in autosomal recessive progeroid diseases. Nucleic Acids Res. 2018 46 10460 10473 6FD6 29576532 Crystal Structure of Human APRT-Tyr105Phe variant in complex with Adenine, PRPP and Mg2+, 30 days post crystallization (with AMP and PPi products fully generated) 2017-12-21 2018-08-15 Huyet, J.,Ozeir, M.,Burgevin, M.C.,Pinson, B.,Chesney, F.,Remy, J.M.,Siddiqi, A.R.,Lupoli, R.,Pinon, G.,Saint-Marc, C.,Gibert, J.F.,Morales, R.,Ceballos-Picot, I.,Barouki, R.,Daignan-Fornier, B.,Olivier-Bandini, A.,Auge, F.,Nioche, P. Structural Insights into the Forward and Reverse Enzymatic Reactions in Human Adenine Phosphoribosyltransferase. Cell Chem Biol 2018 25 666 6760000 6GXA 29806110 Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 2 2018-06-27 2018-08-15 Bayer, T.,Chakrabarti, A.,Lancelot, J.,Shaik, T.B.,Hausmann, K.,Melesina, J.,Schmidtkunz, K.,Marek, M.,Erdmann, F.,Schmidt, M.,Robaa, D.,Romier, C.,Pierce, R.J.,Jung, M.,Sippl, W. Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis. ChemMedChem 2018 13 1517 1529 5ZZW Proteobacterial origin of protein arginine methylation and regulation of Complex I assembly by MidA 2018-06-04 2018-08-22 Hameed, U.F.S.,Sanislav, O.,Lay, S.T.,Annesley, S.J.,Jobichen, C.,Fisher, P.R.,Swaminathan, K.,Arold, S.T. Proteobacterial Origin of Protein Arginine Methylation and Regulation of Complex I Assembly by MidA Cell Rep 2018 24 1996 2004 6GD9 30109907 Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form 2018-04-23 2018-08-29 Rennie, M.L.,Fox, G.C.,Perez, J.,Crowley, P.B. Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl. 2018 57 13764 13769 6GD6 30109907 Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with ammonium sulfate 2018-04-23 2018-08-29 Rennie, M.L.,Fox, G.C.,Perez, J.,Crowley, P.B. Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl. 2018 57 13764 13769 6GD8 30109907 Cytochrome c in complex with Sulfonato-calix[8]arene, P31 form 2018-04-23 2018-08-29 Rennie, M.L.,Fox, G.C.,Perez, J.,Crowley, P.B. Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl. 2018 57 13764 13769 6GD7 30109907 Cytochrome c in complex with Sulfonato-calix[8]arene, H3 form with PEG 2018-04-23 2018-08-29 Rennie, M.L.,Fox, G.C.,Perez, J.,Crowley, P.B. Auto-regulated Protein Assembly on a Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl. 2018 57 13764 13769 5OPD Structure of phosphorylated EF-Tu in complex with GTP 2017-08-09 2018-08-29 Garcia-Pino, A. Structure of phosphorylated EF-Tu in complex with GTP To Be Published 0 0 0 0 6H02 30140054 Crystal structure of human Mediator subunit MED23 2018-07-06 2018-08-29 Monte, D.,Clantin, B.,Dewitte, F.,Lens, Z.,Rucktooa, P.,Pardon, E.,Steyaert, J.,Verger, A.,Villeret, V. Crystal structure of human Mediator subunit MED23. Nat Commun 2018 9 3389 3389 5OO2 31316802 Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) E419A variant in complex with glucosylglycolate 2017-08-05 2018-08-29 Cereija, T.B.,Alarico, S.,Lourenco, E.C.,Manso, J.A.,Ventura, M.R.,Empadinhas, N.,Macedo-Ribeiro, S.,Pereira, P.J.B. The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation. Iucrj 2019 6 572 585 5V5U Crystal structure of leucine-rich protein regulator, ElrR, from Enterococcus faecalis 2017-03-15 2018-09-19 De Groote, M.C.R.,Camargo, I.L.,Repoila, F.,Serror, P.,Horjales, E. Crystal structure of leucine-rich protein regulator, ElrR, from Enterococcus faecalis To be published 0 0 0 0 6F7V 30266997 Crystal structure of LkcE E64Q mutant in complex with LC-KA05 2017-12-12 2018-09-19 Dorival, J.,Risser, F.,Jacob, C.,Collin, S.,Drager, G.,Paris, C.,Chagot, B.,Kirschning, A.,Gruez, A.,Weissman, K.J. Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis. Nat Commun 2018 9 3998 3998 6FJH 30266997 Crystal structure of the seleniated LkcE from Streptomyces rochei 2018-01-22 2018-09-19 Dorival, J.,Risser, F.,Jacob, C.,Collin, S.,Drager, G.,Paris, C.,Chagot, B.,Kirschning, A.,Gruez, A.,Weissman, K.J. Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis. Nat Commun 2018 9 3998 3998 6GQM 30204441 Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229 2018-06-07 2018-09-19 Kettle, J.G.,Anjum, R.,Barry, E.,Bhavsar, D.,Brown, C.,Boyd, S.,Campbell, A.,Goldberg, K.,Grondine, M.,Guichard, S.,Hardy, C.J.,Hunt, T.,Jones, R.D.O.,Li, X.,Moleva, O.,Ogg, D.,Overman, R.C.,Packer, M.J.,Pearson, S.,Schimpl, M.,Shao, W.,Smith, A.,Smith, J.M.,Stead, D.,Stokes, S.,Tucker, M.,Ye, Y. Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors. J. Med. Chem. 2018 61 8797 8810 6EZA 30149704 Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K mutant 2017-11-14 2018-09-26 Bou-Nader, C.,Bregeon, D.,Pecqueur, L.,Fontecave, M.,Hamdane, D. Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases. Biochemistry 2018 57 5407 5414 6EZB 30149704 Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain Q305K mutant 2017-11-14 2018-09-26 Bou-Nader, C.,Bregeon, D.,Pecqueur, L.,Fontecave, M.,Hamdane, D. Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases. Biochemistry 2018 57 5407 5414 6EZC 30149704 Crystal Structure of human tRNA-dihydrouridine(20) synthase catalytic domain E294K Q305K double mutant 2017-11-14 2018-09-26 Bou-Nader, C.,Bregeon, D.,Pecqueur, L.,Fontecave, M.,Hamdane, D. Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases. Biochemistry 2018 57 5407 5414 6G63 30270108 RNase E in complex with sRNA RrpA 2018-03-31 2018-10-03 Bandyra, K.J.,Wandzik, J.M.,Luisi, B.F. Substrate Recognition and Autoinhibition in the Central Ribonuclease RNase E. Mol. Cell 2018 72 275 2850000 6EI8 31045345 Crystal structure of human tRNA-dihydrouridine (20) synthase dsRBD F359A mutant 2017-09-18 2018-10-10 Bou-Nader, C.,Pecqueur, L.,Barraud, P.,Fontecave, M.,Tisne, C.,Sacquin-Mora, S.,Hamdane, D. Conformational Stability Adaptation of a Double-Stranded RNA-Binding Domain to Transfer RNA Ligand. Biochemistry 2019 58 2463 2473 6EGY 30445810 Crystal structure of cytochrome c in complex with mono-PEGylated sulfonatocalix[4]arene 2017-09-12 2018-10-10 Mummidivarapu, V.V.S.,Rennie, M.L.,Doolan, A.M.,Crowley, P.B. Noncovalent PEGylation via Sulfonatocalix[4]arene-A Crystallographic Proof. Bioconjug.Chem. 2018 29 3999 4003 6ERG 30291363 Complex of XLF and heterodimer Ku bound to DNA 2017-10-18 2018-10-17 Nemoz, C.,Ropars, V.,Frit, P.,Gontier, A.,Drevet, P.,Yu, J.,Guerois, R.,Pitois, A.,Comte, A.,Delteil, C.,Barboule, N.,Legrand, P.,Baconnais, S.,Yin, Y.,Tadi, S.,Barbet-Massin, E.,Berger, I.,Le Cam, E.,Modesti, M.,Rothenberg, E.,Calsou, P.,Charbonnier, J.B. XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining. Nat. Struct. Mol. Biol. 2018 25 971 980 6ERH 30291363 Complex of XLF and heterodimer Ku bound to DNA 2017-10-18 2018-10-17 Nemoz, C.,Ropars, V.,Frit, P.,Gontier, A.,Drevet, P.,Yu, J.,Guerois, R.,Pitois, A.,Comte, A.,Delteil, C.,Barboule, N.,Legrand, P.,Baconnais, S.,Yin, Y.,Tadi, S.,Barbet-Massin, E.,Berger, I.,Le Cam, E.,Modesti, M.,Rothenberg, E.,Calsou, P.,Charbonnier, J.B. XLF and APLF bind Ku80 at two remote sites to ensure DNA repair by non-homologous end joining. Nat. Struct. Mol. Biol. 2018 25 971 980 5O5X 30251675 Crystal structure of Thermococcus litoralis ADP-dependent glucokinase (GK) 2017-06-02 2018-10-24 Herrera-Morande, A.,Castro-Fernandez, V.,Merino, F.,Ramirez-Sarmiento, C.A.,Fernandez, F.J.,Vega, M.C.,Guixe, V. Protein topology determines substrate-binding mechanism in homologous enzymes. Biochim Biophys Acta Gen Subj 2018 1862 2869 2878 5O5Y 30251675 Crystal structure of Thermococcus litoralis ADP-dependent glucokinase (GK) 2017-06-02 2018-10-24 Herrera-Morande, A.,Castro-Fernandez, V.,Merino, F.,Ramirez-Sarmiento, C.A.,Fernandez, F.J.,Vega, M.C.,Guixe, V. Protein topology determines substrate-binding mechanism in homologous enzymes. Biochim Biophys Acta Gen Subj 2018 1862 2869 2878 6HTH 30347148 Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 5 2018-10-04 2018-10-31 Marek, M.,Shaik, T.B.,Heimburg, T.,Chakrabarti, A.,Lancelot, J.,Ramos-Morales, E.,Da Veiga, C.,Kalinin, D.,Melesina, J.,Robaa, D.,Schmidtkunz, K.,Suzuki, T.,Holl, R.,Ennifar, E.,Pierce, R.J.,Jung, M.,Sippl, W.,Romier, C. Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem. 2018 61 10000 10016 6ETA Crystal Structure of Human Gamma-D crystallin Mutant P23T+R36S at Room Temperature 2017-10-25 2018-11-07 James, S.,McManus, J.,Khan, A.R. Structure of human gamma-D crystallin protein mutant P23T+R36S at 2.2 Angstroms resolution To Be Published 0 0 0 0 6ETC Crystal Structure of Human gamma-D-crystallin Mutant P23T+R36S at 1.2 Angstroms Resolution 2017-10-26 2018-11-07 Khan, A.R.,McManus, J. Structure of human gamma-D-crystallin mutant P23T+R36S at 1.24 Angstroms Resolution To Be Published 0 0 0 0 6EXH 30410048 Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 with Fe(II)/succinate/(4R)-4-hydroxy-L-lysine 2017-11-08 2018-11-14 Bastard, K.,Isabet, T.,Stura, E.A.,Legrand, P.,Zaparucha, A. Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep 2018 8 16587 16587 6EUO 30410048 Crystal structure of APO Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO5 2017-10-30 2018-11-14 Bastard, K.,Isabet, T.,Stura, E.A.,Legrand, P.,Zaparucha, A. Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep 2018 8 16587 16587 6BNZ 30993890 Crystal structure of E144Q-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2 2017-11-17 2018-11-21 Gonzalez, J.M.,Agostini, R.B.,Alvarez, C.E.,Klinke, S.,Andreo, C.S.,Campos-Bermudez, V.A. Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays. Febs J. 2019 0 0 0 6BNX 30993890 Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P6(3) 2017-11-17 2018-11-21 Gonzalez, J.M.,Agostini, R.B.,Alvarez, C.E.,Klinke, S.,Andreo, C.S.,Campos-Bermudez, V.A. Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays. Febs J. 2019 0 0 0 6BNN 30993890 Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P4(1)2(1)2 2017-11-17 2018-11-21 Gonzalez, J.M.,Agostini, R.B.,Alvarez, C.E.,Klinke, S.,Andreo, C.S.,Campos-Bermudez, V.A. Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays. Febs J. 2019 0 0 0 6EYW Structure of Yeast Myosin 5 Cargo Binding Domain in Trigonal Space Group 2017-11-13 2018-11-21 Tan, J.,Khan, A.R. Structure of yeast myosin V cargo binding domain in a new trigonal space group To Be Published 0 0 0 0 6BN3 CTX-M-151 class A extended-spectrum beta-lactamase apo crystal structure at 1.3 Angstrom resolution. 2017-11-16 2018-11-21 Power, P.,Ghiglione, B.,Rodriguez, M.M.,Gutkind, G.,Ishii, Y.,Bonomo, R.A.,Klinke, S. CTX-M-151 class A extended-spectrum beta-lactamase apo crystal structure at 1.3 Angstrom resolution. To Be Published 0 0 0 0 6GHU 30425318 Crystal structure of the periplasmic domain of XcpY, oP crystal form. 2018-05-09 2018-11-21 Fulara, A.,Vandenberghe, I.,Read, R.J.,Devreese, B.,Savvides, S.N. Structure and oligomerization of the periplasmic domain of GspL from the type II secretion system of Pseudomonas aeruginosa. Sci Rep 2018 8 16760 16760 6BPF CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 1.32 Angstrom resolution. 2017-11-23 2018-11-28 Power, P.,Ghiglione, B.,Rodriguez, M.M.,Gutkind, G.,Ishii, Y.,Bonomo, R.A.,Klinke, S. CTX-M-151 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 1.32 Angstrom resolution. To Be Published 0 0 0 0 6IPY His-tagged Fyn SH3 domain R96I mutant 2018-11-05 2018-11-28 Arold, S.T.,Aljedani, S.S.,Shahul Hameed, U.F. His-tagged Fyn SH3 domain R96I mutant to be published 0 0 0 0 6IPZ Fyn SH3 domain R96W mutant, crystallized with 18-crown-6 2018-11-05 2018-11-28 Arold, S.T.,Aljedani, S.S.,Shahul Hameed, U.F. Fyn SH3 domain R96W mutant, crystallized with 18-crown-6 to be published 0 0 0 0 6G1D 30463959 Corynebacterium glutamicum OxyR C206 mutant 2018-03-21 2018-12-05 Pedre, B.,Young, D.,Charlier, D.,Mourenza, A.,Rosado, L.A.,Marcos-Pascual, L.,Wahni, K.,Martens, E.,G de la Rubia, A.,Belousov, V.V.,Mateos, L.M.,Messens, J. Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing. Proc. Natl. Acad. Sci. U.S.A. 2018 115 0 0 6EZL Crystal structure of aspartate aminotransferase from Trypanosoma cruzi at 2.07 Angstrom resolution 2017-11-15 2018-12-12 Jagoe, W.N.,Barry, P.J.G.,Nolan, D.P.,Khan, A.R. Structure of aspartate aminotransferase from Trypanosoma Cruzi at 2.07 Angstrom resolution To Be Published 0 0 0 0 6F00 Crystal Structure of human tRNA dihydrouridine synthase (20) dsRBD E423A mutant 2017-11-17 2018-12-12 Charles, B.N.,Djemel, H. Crystal Structure of human tRNA-dihydrouridine(20) synthase dsRBD E423A mutant To Be Published 0 0 0 0 6F21 Crystal structure of toxin MT9 from mamba venom 2017-11-23 2018-12-12 Tepshi, L.,Ciccone, L.,Ciolek, J.,Triquigneaux, M.,Zoukimian, C.,De Waard, M.,Beroud, R.,Servent, D.,Gilles, N.,Stura, E.A. Crystal structure of toxin MT9 from mamba venom To Be Published 0 0 0 0 6F37 Fusion protein of RSL and trimeric coiled coil 2017-11-28 2018-12-12 Wronska, M.A.,Rennie, M.L.,Crowley, P.B. Fusion protein of RSL and trimeric coiled coil To Be Published 0 0 0 0 6HYV 30541892 THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT Y119A 2018-10-22 2018-12-19 Hu, H.,Ataka, K.,Menny, A.,Fourati, Z.,Sauguet, L.,Corringer, P.J.,Koehl, P.,Heberle, J.,Delarue, M. Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proc. Natl. Acad. Sci. U.S.A. 2018 115 0 0 5OC4 30605527 Crystal structure of human tRNA-dihydrouridine(20) synthase dsRBD R361A-R362A mutant 2017-06-29 2018-12-26 Bou-Nader, C.,Barraud, P.,Pecqueur, L.,Perez, J.,Velours, C.,Shepard, W.,Fontecave, M.,Tisne, C.,Hamdane, D. Molecular basis for transfer RNA recognition by the double-stranded RNA-binding domain of human dihydrouridine synthase 2. Nucleic Acids Res. 2019 47 3117 3126 5OC6 30605527 Crystal structure of human tRNA-dihydrouridine(20) synthase dsRBD in complex with a 22 nucleotide dsRNA 2017-06-29 2018-12-26 Bou-Nader, C.,Barraud, P.,Pecqueur, L.,Perez, J.,Velours, C.,Shepard, W.,Fontecave, M.,Tisne, C.,Hamdane, D. Molecular basis for transfer RNA recognition by the double-stranded RNA-binding domain of human dihydrouridine synthase 2. Nucleic Acids Res. 2019 47 3117 3126 5OC5 30605527 Crystal structure of human tRNA-dihydrouridine(20) synthase dsRBD K419A-K420A mutant 2017-06-29 2018-12-26 Bou-Nader, C.,Barraud, P.,Pecqueur, L.,Perez, J.,Velours, C.,Shepard, W.,Fontecave, M.,Tisne, C.,Hamdane, D. Molecular basis for transfer RNA recognition by the double-stranded RNA-binding domain of human dihydrouridine synthase 2. Nucleic Acids Res. 2019 47 3117 3126 6HLU 30538153 Crystal structure of the LRR-Roc-COR domain of the Chlorobium tepidum Roco protein 2018-09-11 2018-12-26 Deyaert, E.,Leemans, M.,Singh, R.K.,Gallardo, R.,Steyaert, J.,Kortholt, A.,Lauer, J.,Versees, W. Structure and nucleotide-induced conformational dynamics of theChlorobium tepidumRoco protein. Biochem. J. 2019 476 51 66 6HLX 30552142 Structure of the PBP AgaA in complex with agropinic acid from A.tumefacien R10 2018-09-11 2018-12-26 Marty, L.,Vigouroux, A.,Aumont-Nicaise, M.,Pelissier, F.,Meyer, T.,Lavire, C.,Dessaux, Y.,Morera, S. Structural basis for two efficient modes of agropinic acid opine import into the bacterial pathogenAgrobacterium tumefaciens. Biochem. J. 2019 476 165 178 6G7D 30606802 Structure of MeT1 from Mycobacterium hassiacum in complex with SAM and glycerol. 2018-04-05 2019-01-16 Ripoll-Rozada, J.,Costa, M.,Manso, J.A.,Maranha, A.,Miranda, V.,Sequeira, A.,Ventura, M.R.,Macedo-Ribeiro, S.,Pereira, P.J.B.,Empadinhas, N. Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides. Proc. Natl. Acad. Sci. U.S.A. 2019 116 835 844 6FIX 30814507 antitoxin GraA in complex with its operator 2018-01-19 2019-01-30 Talavera, A.,Tamman, H.,Ainelo, A.,Konijnenberg, A.,Hadzi, S.,Sobott, F.,Garcia-Pino, A.,Horak, R.,Loris, R. A dual role in regulation and toxicity for the disordered N-terminus of the toxin GraT. Nat Commun 2019 10 972 972 6FF8 Crystal structure of uncomplexed Rab32 in the active GTP-bound state at 2.13 Angstrom resolution 2018-01-04 2019-01-30 Khan, A.R.,Kecman, T. Crystal structure of uncomplexed Rab32 in the active GTP-bound state at 2.13 Angstrom resolution To Be Published 0 0 0 0 6FG5 Schistosoma mansoni Phosphodiesterase 4A 2018-01-10 2019-01-30 Brown, D.G.,Schroeder, S.,Gil, C.,Munday, J.,Koning, H.,Siderius, M.,Leurs, R. The structure of Schistosoma mansoni Phosphodiesterase 4A To Be Published 0 0 0 0 6ERB 30850593 Enterococcus faecalis FIC protein (H111A) in complex with sulfate. 2017-10-17 2019-02-06 Veyron, S.,Oliva, G.,Rolando, M.,Buchrieser, C.,Peyroche, G.,Cherfils, J. A Ca2+-regulated deAMPylation switch in human and bacterial FIC proteins. Nat Commun 2019 10 1142 1142 6FK1 Cyclophilin A 2018-01-23 2019-02-06 Lisboa, J.,dos Santos, N.M.S. Production, crystallization and structure determination of cyclophilin A from Mus musculus To Be Published 0 0 0 0 6ID4 30792391 Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01 2018-09-08 2019-02-06 Gu, Y.,Wong, Y.H.,Liew, C.W.,Chan, C.E.Z.,Murali, T.M.,Yap, J.,Too, C.T.,Purushotorman, K.,Hamidinia, M.,El Sahili, A.,Goh, A.T.H.,Teo, R.Z.C.,Wood, K.J.,Hanson, B.J.,Gascoigne, N.R.J.,Lescar, J.,Vathsala, A.,MacAry, P.A. Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01. Nat Commun 2019 10 893 893 6HAH 30867921 Crystal structure of PAF - p-sulfonatocalix[6]arene complex 2018-08-07 2019-02-13 Alex, J.M.,Rennie, M.L.,Engilberge, S.,Lehoczki, G.,Dorottya, H.,Fizil, A.,Batta, G.,Crowley, P.B. Calixarene-mediated assembly of a small antifungal protein. Iucrj 2019 6 238 247 6HA4 30867921 Crystal structure of PAF - p-sulfonatocalix[4]arene complex 2018-08-07 2019-02-13 Alex, J.M.,Rennie, M.L.,Engilberge, S.,Lehoczki, G.,Dorottya, H.,Fizil, A.,Batta, G.,Crowley, P.B. Calixarene-mediated assembly of a small antifungal protein. Iucrj 2019 6 238 247 6HAJ 30867921 Crystal structure of PAF - p-sulfonatocalix[8]arene complex 2018-08-07 2019-02-13 Alex, J.M.,Rennie, M.L.,Engilberge, S.,Lehoczki, G.,Dorottya, H.,Fizil, A.,Batta, G.,Crowley, P.B. Calixarene-mediated assembly of a small antifungal protein. Iucrj 2019 6 238 247 6H6P 30686758 UbiJ-SCP2 Ubiquinone synthesis protein 2018-07-28 2019-02-13 Hajj Chehade, M.,Pelosi, L.,Fyfe, C.D.,Loiseau, L.,Rascalou, B.,Brugiere, S.,Kazemzadeh, K.,Vo, C.D.,Ciccone, L.,Aussel, L.,Coute, Y.,Fontecave, M.,Barras, F.,Lombard, M.,Pierrel, F. A Soluble Metabolon Synthesizes the Isoprenoid Lipid Ubiquinone. Cell Chem Biol 2019 26 482 2147483647 6MFV 30788511 Crystal structure of the Signal Transduction ATPase with Numerous Domains (STAND) protein with a tetratricopeptide repeat sensor PH0952 from Pyrococcus horikoshii 2018-09-12 2019-02-20 Lisa, M.N.,Cvirkaite-Krupovic, V.,Richet, E.,Andre-Leroux, G.,Alzari, P.M.,Haouz, A.,Danot, O. Double autoinhibition mechanism of signal transduction ATPases with numerous domains (STAND) with a tetratricopeptide repeat sensor. Nucleic Acids Res. 2019 47 3795 3810 6QER Apo Form Of ComR From S. Thermophilus in space group C2 2019-01-08 2019-02-20 Thuillier, J.,Nessler, S. Apo Form Of ComR From S. Thermophilus in space group C2 To Be Published 0 0 0 0 6GAU 30744994 Extremely 'open' clamp structure of DNA gyrase: role of the Corynebacteriales GyrB specific insert 2018-04-12 2019-02-20 Petrella, S.,Capton, E.,Raynal, B.,Giffard, C.,Thureau, A.,Bonnete, F.,Alzari, P.M.,Aubry, A.,Mayer, C. Overall Structures of Mycobacterium tuberculosis DNA Gyrase Reveal the Role of a Corynebacteriales GyrB-Specific Insert in ATPase Activity. Structure 2019 27 579 58900000 6G9T 30788955 CRYSTAL STRUCTURE OF CMY-136 class C BETA-LACTAMASE 2018-04-11 2019-02-27 Zavala, A.,Retailleau, P.,Elisee, E.,Iorga, B.I.,Naas, T. Genetic, Biochemical, and Structural Characterization of CMY-136 beta-Lactamase, a Peculiar CMY-2 Variant. Acs Infect Dis. 2019 5 528 538 6H3T 30787296 Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 1C11 2018-07-19 2019-02-27 Hellert, J.,Aebischer, A.,Wernike, K.,Haouz, A.,Brocchi, E.,Reiche, S.,Guardado-Calvo, P.,Beer, M.,Rey, F.A. Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun 2019 10 879 879 6H3U 30787296 Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 4B6 2018-07-19 2019-02-27 Hellert, J.,Aebischer, A.,Wernike, K.,Haouz, A.,Brocchi, E.,Reiche, S.,Guardado-Calvo, P.,Beer, M.,Rey, F.A. Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun 2019 10 879 879 6H3X 30787296 Oropouche Virus Glycoprotein Gc Head Domain 2018-07-19 2019-02-27 Hellert, J.,Aebischer, A.,Wernike, K.,Haouz, A.,Brocchi, E.,Reiche, S.,Guardado-Calvo, P.,Beer, M.,Rey, F.A. Orthobunyavirus spike architecture and recognition by neutralizing antibodies. Nat Commun 2019 10 879 879 6GTP 30718814 Structure of the AtaT Y144F mutant toxin 2018-06-18 2019-03-06 Jurenas, D.,Van Melderen, L.,Garcia-Pino, A. Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system. Nat. Chem. Biol. 2019 15 285 294 6GTQ 30718814 Structure of the AtaT Y144F mutant toxin bound to the C-terminus of the antitoxin AtaR 2018-06-18 2019-03-06 Jurenas, D.,Van Melderen, L.,Garcia-Pino, A. Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system. Nat. Chem. Biol. 2019 15 285 294 6GTR 30718814 Structure of the AtaT Y144F mutant toxin bound to the C-terminus of the antitoxin AtaR and Acetyl-CoA 2018-06-18 2019-03-06 Jurenas, D.,Van Melderen, L.,Garcia-Pino, A. Mechanism of regulation and neutralization of the AtaR-AtaT toxin-antitoxin system. Nat. Chem. Biol. 2019 15 285 294 6FNE 30742123 Structure of Brag2 2018-02-03 2019-03-13 Nawrotek, A.,Benabdi, S.,Niyomchon, S.,Kryszke, M.H.,Ginestier, C.,Caneque, T.,Tepshi, L.,Mariani, A.,St Onge, R.P.,Giaever, G.,Nislow, C.,Charafe-Jauffret, E.,Rodriguez, R.,Zeghouf, M.,Cherfils, J. PH-domain-binding inhibitors of nucleotide exchange factor BRAG2 disrupt Arf GTPase signaling. Nat.Chem.Biol. 2019 15 358 366 5ZJY 30881679 Stapled-peptides tailored against initiation of translation 2018-03-22 2019-03-20 Lama, D.,Liberatore, A.M.,Frosi, Y.,Nakhle, J.,Tsomaia, N.,Bashir, T.,Lane, D.P.,Brown, C.J.,Verma, C.S.,Auvin, S. Structural insights reveal a recognition feature for tailoring hydrocarbon stapled-peptides against the eukaryotic translation initiation factor 4E protein. Chem Sci 2019 10 2489 2500 6QDX 30879411 Structure of E.coli RlmJ in complex with a bisubstrate analogue (BA4) 2019-01-03 2019-03-27 Oerum, S.,Catala, M.,Atdjian, C.,Brachet, F.,Ponchon, L.,Barraud, P.,Iannazzo, L.,Droogmans, L.,Braud, E.,Etheve-Quelquejeu, M.,Tisne, C. Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites. Rna Biol. 2019 16 798 808 6QE0 30879411 Structure of E.coli RlmJ in complex with a bisubstrate analogue (BA2) 2019-01-03 2019-03-27 Oerum, S.,Catala, M.,Atdjian, C.,Brachet, F.,Ponchon, L.,Barraud, P.,Iannazzo, L.,Droogmans, L.,Braud, E.,Etheve-Quelquejeu, M.,Tisne, C. Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites. Rna Biol. 2019 16 798 808 5ZMI Crystal structure of APRT from Y. pseudotuberculosis in complex with adenine. 2018-04-03 2019-04-10 Pavithra, G.C.,Ramagopal, U.A. Crystal structure of adenine phosphoribosyltransferase from Yersinia pseudotuberculosis To be published 0 0 0 0 6HXN 30944476 Structure of the citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase (space group P3121) 2018-10-17 2019-04-10 Verschueren, K.H.G.,Blanchet, C.,Felix, J.,Dansercoer, A.,De Vos, D.,Bloch, Y.,Van Beeumen, J.,Svergun, D.,Gutsche, I.,Savvides, S.N.,Verstraete, K. Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle. Nature 2019 568 571 575 6I5Y 30995568 Crystal structure of E. coli tyrRS in complex with 5'-O-(N-L-tyrosyl)sulfamoyl-adenosine 2018-11-15 2019-04-17 Nautiyal, M.,De Graef, S.,Pang, L.,Gadakh, B.,Strelkov, S.V.,Weeks, S.D.,Van Aerschot, A. Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem. 2019 173 154 166 6Q8C 30995568 Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with 5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine 2018-12-14 2019-04-17 Nautiyal, M.,De Graef, S.,Pang, L.,Gadakh, B.,Strelkov, S.V.,Weeks, S.D.,Van Aerschot, A. Comparative analysis of pyrimidine substituted aminoacyl-sulfamoyl nucleosides as potential inhibitors targeting class I aminoacyl-tRNA synthetases. Eur.J.Med.Chem. 2019 173 154 166 5ZKG Crystal Structure of C-terminal Domain of Plasmodium vivax p43 2018-03-23 2019-04-24 Gupta, S.,Sharma, M.,Harlos, K.,Sharma, A.,Yogavel, M. Structural analysis of aminoacyl-tRNA synthetase-interacting multifunctional proteins from plasmodium species To Be Published 0 0 0 0 6D3G PER-2 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 2.4 Angstrom resolution 2018-04-16 2019-04-24 Ruggiero, M.,Papp-Wallace, K.M.,Gutkind, G.,Bonomo, R.A.,Klinke, S.,Power, P. PER-2 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 2.4 Angstrom resolution. To be published 0 0 0 0 6GX7 31036638 Tubulin-CopN-alphaRep complex 2018-06-26 2019-04-24 Campanacci, V.,Urvoas, A.,Cantos-Fernandes, S.,Aumont-Nicaise, M.,Arteni, A.A.,Velours, C.,Valerio-Lepiniec, M.,Dreier, B.,Pluckthun, A.,Pilon, A.,Pous, C.,Minard, P.,Gigant, B. Insight into microtubule nucleation from tubulin-capping proteins. Proc.Natl.Acad.Sci.USA 2019 116 9859 9864 6GDA Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form soaked with Spermine 2018-04-23 2019-05-01 Rennie, M.L.,Fox, G.C.,Perez, J.,Crowley, P.B. Conditional Protein Assembly on a Flexible Calix[8]arene Scaffold To Be Published 0 0 0 0 6DGU PER-2 class A extended-spectrum beta-lactamase crystal structure at 2.69 Angstrom resolution 2018-05-18 2019-05-22 Ruggiero, M.,Papp-Wallace, K.M.,Gutkind, G.,Bonomo, R.A.,Klinke, S.,Power, P. PER-2 class A extended-spectrum beta-lactamase crystal structure in complex with avibactam at 2.4 Angstrom resolution. To be published 0 0 0 0 6HKS 31092861 Crystal structure of the PTPN3 PDZ domain bound to the HPV16 E6 oncoprotein C-terminal peptide 2018-09-07 2019-05-22 Genera, M.,Samson, D.,Raynal, B.,Haouz, A.,Baron, B.,Simenel, C.,Guerois, R.,Wolff, N.,Caillet-Saguy, C. Structural and functional characterization of the PDZ domain of the human phosphatase PTPN3 and its interaction with the human papillomavirus E6 oncoprotein. Sci Rep 2019 9 7438 7438 6GLX 31123109 Structure of galectin-10 in complex with the Fab fragment of a Charcot-Leyden crystal solubilizing antibody, 4E8 2018-05-23 2019-06-05 Persson, E.K.,Verstraete, K.,Heyndrickx, I.,Gevaert, E.,Aegerter, H.,Percier, J.M.,Deswarte, K.,Verschueren, K.H.G.,Dansercoer, A.,Gras, D.,Chanez, P.,Bachert, C.,Goncalves, A.,Van Gorp, H.,De Haard, H.,Blanchetot, C.,Saunders, M.,Hammad, H.,Savvides, S.N.,Lambrecht, B.N. Protein crystallization promotes type 2 immunity and is reversible by antibody treatment. Science 2019 364 0 0 6IAS 31155232 structure of human NKp46 in complex with antibody NKp46-1 and NKp46-4 2018-11-27 2019-06-12 Gauthier, L.,Morel, A.,Anceriz, N.,Rossi, B.,Blanchard-Alvarez, A.,Grondin, G.,Trichard, S.,Cesari, C.,Sapet, M.,Bosco, F.,Rispaud-Blanc, H.,Guillot, F.,Cornen, S.,Roussel, A.,Amigues, B.,Habif, G.,Caraguel, F.,Arrufat, S.,Remark, R.,Romagne, F.,Morel, Y.,Narni-Mancinelli, E.,Vivier, E. Multifunctional Natural Killer Cell Engagers Targeting NKp46 Trigger Protective Tumor Immunity. Cell 2019 177 1701 2147483647 5ZQK Dengue Virus Non Structural Protein 5 2018-04-19 2019-06-12 El Sahili, A.,Soh, T.S.,Schiltz, J.,Gharbi-Ayachi, A.,Goh, B.C.,Seh, C.C.,Dedon, P.C.,Shi, P.Y.,Lim, S.P.,Lescar, J. A conformation of Dengue virus serotype 2 NS5 akin to its ZIKV and JEV homologues. To Be Published 0 0 0 0 6QYI 31155821 Structure of HPAB from E.coli in complex with FAD 2019-03-09 2019-06-12 Deng, Y.,Faivre, B.,Back, O.,Lombard, M.,Pecqueur, L.,Fontecave, M. Structure and functional characterization of 4-hydroxyphenylacetate 3-hydroxylase from Escherichia coli. Chembiochem 2019 0 0 0 6HR5 31285597 Structure of the S1_25 family sulfatase module of the rhamnosidase FA22250 from Formosa agariphila 2018-09-26 2019-06-26 Reisky, L.,Prechoux, A.,Zuhlke, M.K.,Baumgen, M.,Robb, C.S.,Gerlach, N.,Roret, T.,Stanetty, C.,Larocque, R.,Michel, G.,Song, T.,Markert, S.,Unfried, F.,Mihovilovic, M.D.,Trautwein-Schult, A.,Becher, D.,Schweder, T.,Bornscheuer, U.T.,Hehemann, J.H. A marine bacterial enzymatic cascade degrades the algal polysaccharide ulvan. Nat.Chem.Biol. 2019 15 803 812 6FKO Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, hadacidin at 2.1 Angstrom resolution 2018-01-24 2019-06-26 Sleiman, D.,Loc'h, J.,Haouz, A.,Kaminski, P.A. Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, dGMP, HAdacidin at 2.1 Angstrom resolution To Be Published 0 0 0 0 6GJS 31201318 Human NBD1 of CFTR in complex with nanobodies D12 and T4 2018-05-16 2019-06-26 Sigoillot, M.,Overtus, M.,Grodecka, M.,Scholl, D.,Garcia-Pino, A.,Laeremans, T.,He, L.,Pardon, E.,Hildebrandt, E.,Urbatsch, I.,Steyaert, J.,Riordan, J.R.,Govaerts, C. Domain-interface dynamics of CFTR revealed by stabilizing nanobodies. Nat Commun 2019 10 2636 2636 6K4E SiaA-PP2C domain of Pseudomonas aeruginosa 2019-05-23 2019-06-26 Jianqing, L.,Julien, L. SiaA-PP2C domain of Pseudomonas aeruginosa To Be Published 0 0 0 0 6K4F SiaC of Pseudomonas aeruginosa 2019-05-23 2019-06-26 Jianqing, L.,Julien, L. SiaC of Pseudomonas aeruginosa To Be Published 0 0 0 0 6RGI 31254353 Partially unfolded cytochrome c in complex with sulfonatocalix[6]arene 2019-04-16 2019-07-10 Engilberge, S.,Rennie, M.L.,Crowley, P.B. Calixarene-Capture of Partially Unfolded Cytochrome c. Febs Lett. 2019 0 0 0 6R82 31257402 Crystal structure of the TLDc domain of Skywalker/TBC1D24 from Drosophila melanogaster 2019-03-30 2019-07-17 Luthy, K.,Mei, D.,Fischer, B.,De Fusco, M.,Swerts, J.,Paesmans, J.,Parrini, E.,Lubarr, N.,Meijer, I.A.,Mackenzie, K.M.,Lee, W.T.,Cittaro, D.,Aridon, P.,Schoovaerts, N.,Versees, W.,Verstreken, P.,Casari, G.,Guerrini, R. TBC1D24-TLDc-related epilepsy exercise-induced dystonia: rescue by antioxidants in a disease model. 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 0 0 0 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. 2019 0 0 0 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. 2019 0 0 0 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. 2019 0 0 0 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 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. Native structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12 To Be Published 0 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 Crystal structure of human Rab38 in complex with GTP 2018-08-19 2019-08-28 McGrath, E.,Waschbusch, D.,Khan, A.R. Structural and biophysical studies of Rab32 subfamily binding to Parkinsons disease associated LRRK2 reveal determinants of specificity To Be Published 0 0 0 0