PDB_ID	PUBMED_CID	STRUCTURE TITLE	DEPOSITION DATE	RELEASE DATE	AUTHORS	CITATION TITLE	JOURNAL	YEAR	VOLUME	FIRST PAGE	LAST PAGE
4BIY	24492262	Crystal structure of CpxAHDC (monoclinic form 2)	2013-04-13	2014-02-12	Mechaly, A.E.,Sassoon, N.,Betton, J.M.,Alzari, P.M.	Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation.	Plos Biol.	2014	12	1776	0	
4OL0	24915079	Crystal structure of transportin-SR2, a karyopherin involved in human disease, in complex with Ran	2014-01-23	2014-04-09	Tsirkone, V.G.,Beutels, K.G.,Demeulemeester, J.,Debyser, Z.,Christ, F.,Strelkov, S.V.	Structure of transportin SR2, a karyopherin involved in human disease, in complex with Ran.	Acta Crystallogr.,Sect.F	2014	70	723	729	
4W6X	25502211	Co-complex structure of the lectin domain of F18 fimbrial adhesin FedF with inhibitory nanobody NbFedF7	2014-08-21	2014-12-17	Moonens, K.,De Kerpel, M.,Coddens, A.,Cox, E.,Pardon, E.,Remaut, H.,De Greve, H.	Nanobody Mediated Inhibition of Attachment of F18 Fimbriae Expressing Escherichia coli.	Plos One	2014	9	0	0	
4D7R	25498244	Crystal structure of a chimeric protein with the Sec7 domain of Rickettsia prowazekii RalF and the capping domain of Legionella pneumophila RalF	2014-11-27	2015-01-14	Folly-Klan, M.,Sancerne, B.,Alix, E.,Roy, C.R.,Cherfils, J.,Campanacci, V.	On the Use of Legionella/Rickettsia Chimeras to Investigate the Structure and Regulation of Rickettsia Effector Ralf.	J.Struct.Biol.	2015	189	98	0	
4UT9	25581790	Crystal structure of dengue 2 virus envelope glycoprotein dimer in complex with the ScFv fragment of the broadly neutralizing human antibody EDE1 C10	2014-07-18	2015-01-28	Rouvinski, A.,Guardado-Calvo, P.,Barba-Spaeth, G.,Duquerroy, S.,Vaney, M.,Kikuti, C.M.,Sanchez, M.E.N.,Dejnirattisai, W.,Wongwiwat, W.,Haouz, A.,Girard-Blanc, C.,Petres, S.,Shepard, W.E.,Despres, P.,Arenzana-Seisdedos, F.,Dussart, P.,Mongkolsapaya, J.,Screaton, G.R.,Rey, F.A.	Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.	Nature	2015	520	109	0	
4WQ4	25578970	E. coli YgjD(E12A)-YeaZ heterodimer in complex with ATP	2014-10-21	2015-01-28	Zhang, W.,Collinet, B.,Perrochia, L.,Durand, D.,van Tilbeurgh, H.	The ATP-mediated formation of the YgjD-YeaZ-YjeE complex is required for the biosynthesis of tRNA t6A in Escherichia coli.	Nucleic Acids Res.	2015	43	1804	1817	
4PXN	25734422	Structure of Zm ALDH7 in complex with NAD	2014-03-24	2015-03-18	Koncitikova, R.,Vigouroux, A.,Kopecna, M.,Andree, T.,Bartos, J.,Sebela, M.,Morera, S.,Kopecny, D.	Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7.	Biochem.J.	2015	468	109	123	
4WXA	25735745	Crystal structure of binary complex Gon7-Pcc1	2014-11-13	2015-03-18	Zhang, W.,Collinet, B.,Graille, M.,Daugeron, M.C.,Lazar, N.,Libri, D.,Durand, D.,van Tilbeurgh, H.	Crystal structures of the Gon7/Pcc1 and Bud32/Cgi121 complexes provide a model for the complete yeast KEOPS complex.	Nucleic Acids Res.	2015	43	3358	3372	
4D7A	25897750	Crystal structure of E. coli tRNA N6-threonylcarbamoyladenosine dehydratase, TcdA, in complex with AMP at 1.801 Angstroem resolution	2014-11-21	2015-05-06	Lopez-Estepa, M.,Arda, A.,Savko, M.,Round, A.,Shepard, W.E.,Bruix, M.,Coll, M.,Fernandez, F.J.,Jimenez-Barbero, J.,Vega, M.C.	The Crystal Structure and Small-Angle X-Ray Analysis of Csdl/Tcda Reveal a New tRNA Binding Motif in the Moeb/E1 Superfamily.	Plos One	2015	10	18606	0	
4D0S		Mtb InhA complex with Pyradizinone compound 14	2014-04-29	2015-05-20	Lange, S.	Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis	To be Published	0	0	0	0	
4TQI	26235916	Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode	2014-06-11	2015-06-24	Ciccone, L.,Nencetti, S.,Rossello, A.,Tepshi, L.,Stura, E.A.,Orlandini, E.	X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.	J Enzyme Inhib Med Chem	2015	0	1	10	
5CLR	26419332	Crystal structure of LegK4_APO Kinase	2015-07-16	2015-10-14	Flayhan, A.,Berge, C.,Bailo, N.,Doublet, P.,Bayliss, R.,Terradot, L.	The structure of Legionella pneumophila LegK4 type four secretion system (T4SS) effector reveals a novel dimeric eukaryotic-like kinase.	Sci Rep	2015	5	14602	14602	
4ZC0	26264665	Structure of a dodecameric bacterial helicase	2015-04-15	2015-10-21	Bazin, A.,Cherrier, M.V.,Gutsche, I.,Timmins, J.,Terradot, L.	Structure and primase-mediated activation of a bacterial dodecameric replicative helicase.	Nucleic Acids Res.	2015	43	8564	8576	
5A53	26159998	Crystal Structure of the Rpf2-Rrs1 complex	2015-06-16	2015-10-21	Madru, C.,Lebaron, S.,Blaud, M.,Delbos, L.,Pipoli, J.,Pasmant, E.,Rety, S.,Leulliot, N.	Chaperoning 5S RNA Assembly.	Genes Dev.	2015	29	1432	0	
4Z68	26774128	Hybrid structural analysis of the Arp2/3 regulator Arpin identifies its acidic tail as a primary binding epitope	2015-04-04	2015-12-30	Fetics, S.,Thureau, A.,Campanacci, V.,Aumont-Nicaise, M.,Dang, I.,Gautreau, A.,Perez, J.,Cherfils, J.	Hybrid Structural Analysis of the Arp2/3 Regulator Arpin Identifies Its Acidic Tail as a Primary Binding Epitope.	Structure	2016	24	252	260	
5DO6	26680001	Crystal structure of Dendroaspis polylepis venom mambalgin-1 T23A mutant	2015-09-10	2015-12-30	Mourier, G.,Salinas, M.,Kessler, P.,Stura, E.A.,Leblanc, M.,Tepshi, L.,Besson, T.,Diochot, S.,Baron, A.,Douguet, D.,Lingueglia, E.,Servent, D.	Mambalgin-1 Pain-relieving Peptide, Stepwise Solid-phase Synthesis, Crystal Structure, and Functional Domain for Acid-sensing Ion Channel 1a Inhibition.	J.Biol.Chem.	2016	291	2616	2629	
5F7L	26764597	Blood group antigen binding adhesin BabA of Helicobacter pylori strain 17875 in complex with Nanobody Nb-ER14	2015-12-08	2016-01-20	Moonens, K.,Gideonsson, P.,Subedi, S.,Bugaytsova, J.,Romao, E.,Mendez, M.,Norden, J.,Fallah, M.,Rakhimova, L.,Shevtsova, A.,Lahmann, M.,Castaldo, G.,Brannstrom, K.,Coppens, F.,Lo, A.W.,Ny, T.,Solnick, J.V.,Vandenbussche, G.,Oscarson, S.,Hammarstrom, L.,Arnqvist, A.,Berg, D.E.,Muyldermans, S.,Boren, T.,Remaut, H.	Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori.	Cell Host Microbe	2016	19	55	66	
5BUT	26771197	Crystal structure of inactive conformation of KtrAB K+ transporter	2015-06-04	2016-01-27	Szollosi, A.,Vieira-Pires, R.S.,Teixeira-Duarte, C.M.,Rocha, R.,Morais-Cabral, J.H.	Dissecting the Molecular Mechanism of Nucleotide-Dependent Activation of the KtrAB K+ Transporter.	Plos Biol.	2016	14	0	0	
5EZP	26796656	Human transthyretin (TTR) complexed with 4-hydroxy-chalcone	2015-11-26	2016-01-27	Polsinelli, I.,Nencetti, S.,Shepard, W.,Ciccone, L.,Orlandini, E.,Stura, E.A.	A new crystal form of human transthyretin obtained with a curcumin derived ligand.	J.Struct.Biol.	2016	194	8	17	
5F8K	26792896	Crystal structure of the Bac7(1-16) antimicrobial peptide bound to the Thermus thermophilus 70S ribosome	2015-12-09	2016-02-03	Seefeldt, A.C.,Graf, M.,Perebaskine, N.,Nguyen, F.,Arenz, S.,Mardirossian, M.,Scocchi, M.,Wilson, D.N.,Innis, C.A.	Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.	Nucleic Acids Res.	2016	44	2429	2438	
5CUH	26871660	Crystal structure MMP-9 complexes with a constrained hydroxamate based inhibitor LT4	2015-07-24	2016-02-10	Camodeca, C.,Nuti, E.,Tepshi, L.,Boero, S.,Tuccinardi, T.,Stura, E.A.,Poggi, A.,Zocchi, M.R.,Rossello, A.	Discovery of a new selective inhibitor of A Disintegrin And Metalloprotease 10 (ADAM-10) able to reduce the shedding of NKG2D ligands in Hodgkin's lymphoma cell models.	Eur.J.Med.Chem.	2016	111	193	201	
5E4O	27067161	Human transthyretin (TTR) complexed with (Z)-((3,4-Dichloro-phenyl)-methyleneaminooxy)-acetic acid	2015-10-06	2016-03-23	Ciccone, L.,Nencetti, S.,Rossello, A.,Stura, E.A.,Orlandini, E.	Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR).	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.	Substrate Recognition and Activity Regulation of the Escherichia coli mRNA Endonuclease MazF.	J.Biol.Chem.	2016	291	10950	10960	
4UHS	30086390	Crystal structure of the receiver domain of CpxR from E. coli (tetragonal form)	2015-03-25	2016-04-13	Mechaly, A.E.,Haouz, A.,Sassoon, N.,Buschiazzo, A.,Betton, J.M.,Alzari, P.M.	Conformational plasticity of the response regulator CpxR, a key player in Gammaproteobacteria virulence and drug-resistance.	J. Struct. Biol.	2018	204	165	171	
5EF4	27129273	2.05 A crystal structure of the Amb a 11 cysteine protease, a major ragweed pollen allergen, in its proform	2015-10-23	2016-04-27	Groeme, R.,Airouche, S.,Kopecny, D.,Jaekel, J.,Savko, M.,Berjont, N.,Bussieres, L.,Le Mignon, M.,Jagic, F.,Zieglmayer, P.,Baron-Bodo, V.,Bordas-Le Floch, V.,Mascarell, L.,Briozzo, P.,Moingeon, P.	Structural and Functional Characterization of the Major Allergen Amb a 11 from Short Ragweed Pollen.	J.Biol.Chem.	2016	291	13076	13087	
5EGW	27129273	2.70 A crystal structure of the Amb a 11 cysteine protease, a major ragweed pollen allergen, in its proform	2015-10-27	2016-04-27	Groeme, R.,Airouche, S.,Kopecny, D.,Jaekel, J.,Savko, M.,Berjont, N.,Bussieres, L.,Le Mignon, M.,Jagic, F.,Zieglmayer, P.,Baron-Bodo, V.,Bordas-Le Floch, V.,Mascarell, L.,Briozzo, P.,Moingeon, P.	Structural and Functional Characterization of the Major Allergen Amb a 11 from Short Ragweed Pollen.	J.Biol.Chem.	2016	291	13076	13087	
5HVG	27279497	Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with an Inhibitory Nanobody (VHH-a204)	2016-01-28	2016-06-22	Zhou, X.,Weeks, S.D.,Ameloot, P.,Callewaert, N.,Strelkov, S.V.,Declerck, P.J.	Elucidation of the molecular mechanisms of two nanobodies that inhibit thrombin-activatable fibrinolysis inhibitor activation and activated thrombin-activatable fibrinolysis inhibitor activity.	J.Thromb.Haemost.	2016	14	1629	1638	
5HVH	27279497	Crystal Structure of Thrombin-activatable Fibrinolysis Inhibitor in Complex with two Inhibitory Nanobodies	2016-01-28	2016-06-22	Zhou, X.,Weeks, S.D.,Ameloot, P.,Callewaert, N.,Strelkov, S.V.,Declerck, P.J.	Elucidation of the molecular mechanisms of two nanobodies that inhibit thrombin-activatable fibrinolysis inhibitor activation and activated thrombin-activatable fibrinolysis inhibitor activity.	J.Thromb.Haemost.	2016	14	1629	1638	
5CFG	27343627	C2 crystal form of APE1 with Mg2+	2015-07-08	2016-07-06	Redrejo-Rodriguez, M.,Vigouroux, A.,Mursalimov, A.,Grin, I.,Alili, D.,Koshenov, Z.,Akishev, Z.,Maksimenko, A.,Bissenbaev, A.K.,Matkarimov, B.T.,Saparbaev, M.,Ishchenko, A.A.,Morera, S.	Structural comparison of AP endonucleases from the exonuclease III family reveals new amino acid residues in human AP endonuclease 1 that are involved in incision of damaged DNA.	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. Chem.	2017	60	403	414	
5D3C	27996256	Crystal structure of a double mutant catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470	2015-08-06	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. Chem.	2017	60	403	414	
5IIP	27531650	Staphylococcus aureus OpuCA	2016-03-01	2016-08-24	Schulte, L.E.,Schuster, C.F.,Tosi, T.,Campeotto, I.,Corrigan, R.M.,Freemont, P.S.,Grundling, A.	The second messenger c-di-AMP inhibits the osmolyte uptake system OpuC in Staphylococcus aureus.	Sci.Signal.	2016	9	441	0	
5HIT	27618660	Crystal Structure Analysis of Ca2+-calmodulin and a C-terminal EAG1 channel fragment	2016-01-12	2016-09-14	Marques-Carvalho, M.J.,Oppermann, J.,Munoz, E.,Fernandes, A.S.,Gabant, G.,Cadene, M.,Heinemann, S.H.,Schonherr, R.,Morais-Cabral, J.H.	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.	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.	J.Biol.Chem.	2016	291	22638	22649	
5LOM	27609514	Crystal structure of the PBP SocA from Agrobacterium tumefaciens C58 in complex with DFG at 1.5 A resolution	2016-08-09	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	
5DLO		S. aureus MazF in complex with substrate analogue	2015-09-07	2016-09-28	Zorzini, V.,Loris, R.	Substrate recognition, regulation mechanism and activity regulation of MazF mRNA interferase.	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.	Structure	2017	25	305	316	
5LU1	28089448	Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide	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	
5LU1	28089448	Human 14-3-3 sigma CLU3 mutant complexed with short HSPB6 phosphopeptide	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	
5LU2	28089448	Human 14-3-3 sigma complexed with long HSPB6 phosphopeptide	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	
5LU2	28089448	Human 14-3-3 sigma complexed with long HSPB6 phosphopeptide	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	
5LUM	28089448	Alpha-crystallin domain of human HSPB6 patched with its N-terminal peptide	2016-09-09	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	
5LUM	28089448	Alpha-crystallin domain of human HSPB6 patched with its N-terminal peptide	2016-09-09	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	
5HVD	28205548	Full length Open-form Sodium Channel NavMs I218C	2016-01-28	2017-03-01	Sula, A.,Booker, J.,Ng, L.C.,Naylor, C.E.,DeCaen, P.G.,Wallace, B.A.	The complete structure of an activated open sodium channel.	Nat Commun	2017	8	14205	14205	
5M04	28223358	Structure of ObgE from Escherichia coli	2016-10-03	2017-03-01	Gkekas, S.,Singh, R.K.,Shkumatov, A.V.,Messens, J.,Fauvart, M.,Verstraeten, N.,Michiels, J.,Versees, W.	Structural and biochemical analysis of Escherichia coli ObgE, a central regulator of bacterial persistence.	J. Biol. Chem.	2017	292	5871	5883	
5LVS	28170240	Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries	2016-09-14	2017-03-08	Jewginski, M.,Granier, T.,Langlois d'Estaintot, B.,Fischer, L.,Mackereth, C.D.,Huc, I.	Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.	J. Am. Chem. Soc.	2017	139	2928	2931	
5J11	28368013	Structure of human TSLP in complex with TSLPR and IL-7Ralpha	2016-03-28	2017-04-05	Verstraete, K.,Peelman, F.,Braun, H.,Lopez, J.,Van Rompaey, D.,Dansercoer, A.,Vandenberghe, I.,Pauwels, K.,Tavernier, J.,Lambrecht, B.N.,Hammad, H.,De Winter, H.,Beyaert, R.,Lippens, G.,Savvides, S.N.	Structure and antagonism of the receptor complex mediated by human TSLP in allergy and asthma.	Nat Commun	2017	8	14937	14937	
5J13	28368013	Structural basis for TSLP antagonism by the therapeutic antibody Tezepelumab (MEDI9929 / AMG-157)	2016-03-28	2017-04-05	Verstraete, K.,Peelman, F.,Braun, H.,Lopez, J.,Van Rompaey, D.,Dansercoer, A.,Vandenberghe, I.,Pauwels, K.,Tavernier, J.,Lambrecht, B.N.,Hammad, H.,De Winter, H.,Beyaert, R.,Lippens, G.,Savvides, S.N.	Structure and antagonism of the receptor complex mediated by human TSLP in allergy and asthma.	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	27602054	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.,Cristina Vega, M.	Structural and functional characterization of a highly stable endo-beta-1,4-xylanase from Fusarium oxysporum and its development as an efficient immobilized biocatalyst.	Biotechnol Biofuels	2016	9	191	191	
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.	CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A  QUINOLINE OLIGOAMIDE FOLDAMER	To Be Published	0	0	0	0	
5MV8	28660889	Structure of human Myosin 7b C-terminal MyTH4-FERM domain in complex with harmonin-a PDZ3 domain	2017-01-16	2017-07-05	Yu, I.M.,Planelles-Herrero, V.J.,Sourigues, Y.,Moussaoui, D.,Sirkia, H.,Kikuti, C.,Stroebel, D.,Titus, M.A.,Houdusse, A.	Myosin 7 and its adaptors link cadherins to actin.	Nat Commun	2017	8	15864	15864	
5KPF	29125201	Crystal structure of cytochrome c - Phenyl-trisulfonatocalix[4]arene complex	2016-07-04	2017-07-12	Doolan, A.M.,Rennie, M.L.,Crowley, P.B.	Protein Recognition by Functionalized Sulfonatocalix[4]arenes.	Chemistry	2018	24	984	991	
5LFT	29125201	Crystal structure of cytochrome c - Bromo-trisulfonatocalix[4]arene complexes	2016-07-04	2017-07-12	Doolan, A.M.,Rennie, M.L.,Crowley, P.B.	Protein Recognition by Functionalized Sulfonatocalix[4]arenes.	Chemistry	2018	24	984	991	
5LJF	33559609	Crystal structure of the endo-1,4-glucanase RBcel1 E135A with cellotriose	2016-07-18	2017-08-02	Collet, L.,Vander Wauven, C.,Oudjama, Y.,Galleni, M.,Dutoit, R.	Glycoside hydrolase family 5: structural snapshots highlighting the involvement of two conserved residues in catalysis.	Acta Crystallogr D Struct Biol	2021	77	205	216	
5MZ8	28749584	Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with the reaction product succinate	2017-01-31	2017-08-09	Kopecna, M.,Vigouroux, A.,Vilim, J.,Koncitikova, R.,Briozzo, P.,Hajkova, E.,Jaskova, L.,von Schwartzenberg, K.,Sebela, M.,Morera, S.,Kopecny, D.	The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.	Plant J.	2017	92	229	243	
5N5S	28749584	Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with NADP+	2017-02-14	2017-08-09	Kopecna, M.,Vigouroux, A.,Vilim, J.,Koncitikova, R.,Briozzo, P.,Hajkova, E.,Jaskova, L.,von Schwartzenberg, K.,Sebela, M.,Morera, S.,Kopecny, D.	The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.	Plant J.	2017	92	229	243	
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. Biol.	2017	429	2816	2824	
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. Biol.	2017	429	2816	2824	
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. Lond.,	2018	373	0	0	
5O0W	28915239	Crystal structure of the complex between Nb474 and Trypanosoma congolense fructose-1,6-bisphosphate aldolase	2017-05-17	2017-09-27	Pinto, J.,Odongo, S.,Lee, F.,Gaspariunaite, V.,Muyldermans, S.,Magez, S.,Sterckx, Y.G.	Structural basis for the high specificity of a Trypanosoma congolense immunoassay targeting glycosomal aldolase.	PLoS Negl Trop Dis	2017	11	0	0	
5OJF	29036226	Crystal Structure of KLC2-TPR domain (fragment [A1-B6]	2017-07-21	2017-10-11	Nguyen, T.Q.,Chenon, M.,Vilela, F.,Velours, C.,Aumont-Nicaise, M.,Andreani, J.,Varela, P.F.,Llinas, P.,Menetrey, J.	Structural plasticity of the N-terminal capping helix of the TPR domain of kinesin light chain.	PLoS ONE	2017	12	0	0	
5OPY	29033288	Crystal structure of anti-alphaVbeta3 integrin Fab LM609	2017-08-10	2017-10-25	Borst, A.J.,James, Z.M.,Zagotta, W.N.,Ginsberg, M.,Rey, F.A.,DiMaio, F.,Backovic, M.,Veesler, D.	The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance.	Structure	2017	25	1732	0	
5OPY	29033288	Crystal structure of anti-alphaVbeta3 integrin Fab LM609	2017-08-10	2017-10-25	Borst, A.J.,James, Z.M.,Zagotta, W.N.,Ginsberg, M.,Rey, F.A.,DiMaio, F.,Backovic, M.,Veesler, D.	The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance.	Structure	2017	25	1732	0	
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 human Rac1-GDP	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	
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	
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	
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.	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	33864705	Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP mutant D199A from Xanthomonas campestris	2017-02-24	2018-02-28	Conforte, V.,Otero, L.H.,Toum, L.,Sirigu, S.,Antelo, G.T.,Rinaldi, J.,Foscaldi, S.,Klinke, S.,Chavas, L.M.G.,Vojnov, A.A.,Goldbaum, F.A.,Malamud, F.,Bonomi, H.R.	Pr-favoured variants of the bacteriophytochrome from the plant pathogen Xanthomonas campestris hint on light regulation of virulence-associated mechanisms.	Febs J.	2021	288	5986	6002	
5N5Q	30213975	Human TTR altered conformation from soaking in iron chloride.	2017-02-14	2018-03-07	Ciccone, L.,Fruchart-Gaillard, C.,Mourier, G.,Savko, M.,Nencetti, S.,Orlandini, E.,Servent, D.,Stura, E.A.,Shepard, W.	Copper mediated amyloid-beta binding to Transthyretin.	Sci Rep	2018	8	13744	13744	
5N62	30213975	Human TTR crystals soaked in manganese chloride.	2017-02-14	2018-03-07	Ciccone, L.,Fruchart-Gaillard, C.,Mourier, G.,Savko, M.,Nencetti, S.,Orlandini, E.,Servent, D.,Stura, E.A.,Shepard, W.	Copper mediated amyloid-beta binding to Transthyretin.	Sci Rep	2018	8	13744	13744	
5MVM		X-ray structure of the F14'A -N15'A double mutant of GLIC in complex with propofol	2017-01-16	2018-03-14	Fourati, Z.,Delarue, M.	X-ray structure of the F14'A -N15'A double mutant of GLIC in complex with propofol	To Be Published	0	0	0	0	
5N7C	30213975	Human TTR altered conformation from soaking in CuCl2.	2017-02-20	2018-03-14	Ciccone, L.,Fruchart-Gaillard, C.,Mourier, G.,Savko, M.,Nencetti, S.,Orlandini, E.,Servent, D.,Stura, E.A.,Shepard, W.	Copper mediated amyloid-beta binding to Transthyretin.	Sci Rep	2018	8	13744	13744	
5N7L	30425318	Crystal structure of the periplasmic domain of XcpY, tI crystal form.	2017-02-20	2018-03-14	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	
5OY9	29531262	VSV G CR3	2017-09-08	2018-03-21	Nikolic, J.,Belot, L.,Raux, H.,Legrand, P.,Gaudin, Y.,A Albertini, A.	Structural basis for the recognition of LDL-receptor family members by VSV glycoprotein.	Nat Commun	2018	9	1029	1029	
6FT2		Structure of the periplasmic binding protein LAO-Q122A in complex with arginine.	2018-02-20	2018-03-28	Vigouroux, A.,Morera, S.	Structure of the periplasmic binding protein LAO-Q122A A in complex with arginin	To Be Published	0	0	0	0	
6EQ0	29602905	Structure of the periplasmic binding protein (PBP) MelB (atu4661) in complex with galactose from agrobacterium tumefacien C58	2017-10-12	2018-04-11	Meyer, T.,Vigouroux, A.,Aumont-Nicaise, M.,Comte, G.,Vial, L.,Lavire, C.,Morera, S.	The plant defense signal galactinol is specifically used as a nutrient by the bacterial pathogenAgrobacterium fabrum.	J. Biol. Chem.	2018	293	7930	7941	
6GFB	29743357	Structure of the BTB/POZ domain of human 90K	2018-04-29	2018-05-09	Lodermeyer, V.,Ssebyatika, G.,Passos, V.,Ponnurangam, A.,Malassa, A.,Ewald, E.,Sturzel, C.M.,Kirchhoff, F.,Rotger, M.,Falk, C.S.,Telenti, A.,Krey, T.,Goffinet, C.	The Antiviral Activity of the Cellular Glycoprotein LGALS3BP/90K Is Species Specific.	J. Virol.	2018	92	0	0	
5NE6	31611236	Crystal structure of dimeric TmPep1050 aminopeptidase	2017-03-10	2018-05-16	Dutoit, R.,Van Gompel, T.,Brandt, N.,Van Elder, D.,Van Dyck, J.,Sobott, F.,Droogmans, L.	How metal cofactors drive dimer-dodecamer transition of the M42 aminopeptidase TmPep1050 ofThermotoga maritima.	J.Biol.Chem.	2019	294	17777	17789	
5NE7	31611236	Crystal structure of H60A mutant of Thermotoga maritima TmPEP1050 aminopeptidase	2017-03-10	2018-05-16	Dutoit, R.,Van Gompel, T.,Brandt, N.,Van Elder, D.,Van Dyck, J.,Sobott, F.,Droogmans, L.	How metal cofactors drive dimer-dodecamer transition of the M42 aminopeptidase TmPep1050 ofThermotoga maritima.	J.Biol.Chem.	2019	294	17777	17789	
5NE8	31611236	Crystal structure of H307A mutant of Thermotoga maritima TmPEP1050 aminopeptidase	2017-03-10	2018-05-16	Dutoit, R.,Van Gompel, T.,Brandt, N.,Van Elder, D.,Van Dyck, J.,Sobott, F.,Droogmans, L.	How metal cofactors drive dimer-dodecamer transition of the M42 aminopeptidase TmPep1050 ofThermotoga maritima.	J.Biol.Chem.	2019	294	17777	17789	
5NE9	32478746	Crystal structure of H60A H307A mutant of Thermotoga maritima TmPEP1050 aminopeptidase	2017-03-10	2018-05-16	Dutoit, R.,Brandt, N.,Van Elder, D.,Droogmans, L.	X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050.	J Vis Exp	2020	0	0	0	
6EKN	29727184	Crystal structure of MMP12 in complex with inhibitor BE7.	2017-09-26	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	
6ELA	29727184	Crystal structure of MMP12 in complex with inhibitor BE4.	2017-09-28	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	
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	
5NR3		Human DNMT3B PWWP domain in complex with ethambutol	2017-04-21	2018-05-30	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	
5NWF	30850593	Enterococcus faecalis FIC protein (H111A).	2017-05-05	2018-05-30	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	
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	
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	
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	
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	
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	
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	
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	
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	
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	
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	0	
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	30134162	Proteobacterial origin of protein arginine methylation and regulation of Complex I assembly by MidA	2018-06-04	2018-08-22	Shahul 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	
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	
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	
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	
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	
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	
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	
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	
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	0	
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	
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	
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	31422822	Crystal Structure of Human Gamma-D crystallin Mutant P23T+R36S at Room Temperature	2017-10-25	2018-11-07	Khan, A.R.,James, S.,Quinn, M.K.,Altan, I.,Charbonneau, P.,McManus, J.J.	Temperature-Dependent Interactions Explain Normal and Inverted Solubility in a gamma D-Crystallin Mutant.	Biophys.J.	2019	117	930	937	
6ETC	31422822	Crystal Structure of Human gamma-D-crystallin Mutant P23T+R36S at 1.2 Angstroms Resolution	2017-10-26	2018-11-07	Khan, A.R.,James, S.,Quinn, M.K.,Altan, I.,Charbonneau, P.,McManus, J.J.	Temperature-Dependent Interactions Explain Normal and Inverted Solubility in a gamma D-Crystallin Mutant.	Biophys.J.	2019	117	930	937	
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	
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	
6BN3	33431411	CTX-M-151 class A extended-spectrum beta-lactamase apo crystal structure at 1.3 Angstrom resolution	2017-11-16	2018-11-21	Ghiglione, B.,Rodriguez, M.M.,Brunetti, F.,Papp-Wallace, K.M.,Yoshizumi, A.,Ishii, Y.,Bonomo, R.A.,Gutkind, G.,Klinke, S.,Power, P.	Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.	Antimicrob.Agents Chemother.	2021	65	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	286	3255	3271	
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	286	3255	3271	
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	286	3255	3271	
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	
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	33431411	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	Ghiglione, B.,Rodriguez, M.M.,Brunetti, F.,Papp-Wallace, K.M.,Yoshizumi, A.,Ishii, Y.,Bonomo, R.A.,Gutkind, G.,Klinke, S.,Power, P.	Structural and Biochemical Characterization of the Novel CTX-M-151 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam.	Antimicrob.Agents Chemother.	2021	65	0	0	
6IPY	33787846	His-tagged Fyn SH3 domain R96I mutant	2018-11-05	2018-11-28	Aldehaiman, A.,Momin, A.A.,Restouin, A.,Wang, L.,Shi, X.,Aljedani, S.,Opi, S.,Lugari, A.,Shahul Hameed, U.F.,Ponchon, L.,Morelli, X.,Huang, M.,Dumas, C.,Collette, Y.,Arold, S.T.	Synergy and allostery in ligand binding by HIV-1 Nef.	Biochem.J.	2021	478	1525	1545	
6IPZ	33787846	Fyn SH3 domain R96W mutant, crystallized with 18-crown-6	2018-11-05	2018-11-28	Aldehaiman, A.,Momin, A.A.,Restouin, A.,Wang, L.,Shi, X.,Aljedani, S.,Opi, S.,Lugari, A.,Shahul Hameed, U.F.,Ponchon, L.,Morelli, X.,Huang, M.,Dumas, C.,Collette, Y.,Arold, S.T.	Synergy and allostery in ligand binding by HIV-1 Nef.	Biochem.J.	2021	478	1525	1545	
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	
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	
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	
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	
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	
6FF8	31552791	Crystal structure of uncomplexed Rab32 in the active GTP-bound state at 2.13 Angstrom resolution	2018-01-04	2019-01-30	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	
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	
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	
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	
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	0	
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	
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	
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	
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	0	
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	32198205	Apo Form Of ComR From S. Thermophilus in space group C2	2019-01-08	2019-02-20	Ledesma-Garcia, L.,Thuillier, J.,Guzman-Espinola, A.,Ensinck, I.,Li de la Sierra-Gallay, I.,Lazar, N.,Aumont-Nicaise, M.,Mignolet, J.,Soumillion, P.,Nessler, S.,Hols, P.	Molecular dissection of pheromone selectivity in the competence signaling system ComRS of streptococci.	Proc.Natl.Acad.Sci.USA	2020	117	7745	7754	
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 human Brag2 (Sec7-PH domains) with the inhibitor Bragsin bound to the PH domain	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	32038044	Crystal Structure of C-terminal Domain of Plasmodium vivax p43	2018-03-23	2019-04-24	Gupta, S.,Chhibber-Goel, J.,Sharma, M.,Parvez, S.,Harlos, K.,Sharma, A.,Yogavel, M.	Crystal structures of the two domains that constitute the Plasmodium vivax p43 protein.	Acta Crystallogr D Struct Biol	2020	76	135	146	
6D3G	31235626	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.,Brunetti, F.,Barnes, M.D.,Bonomo, R.A.,Gutkind, G.,Klinke, S.,Power, P.	Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.	Antimicrob.Agents Chemother.	2019	63	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	31490058	Cytochrome c in complex with Sulfonato-calix[8]arene, P43212 form soaked with Spermine	2018-04-23	2019-05-01	Engilberge, S.,Rennie, M.L.,Dumont, E.,Crowley, P.B.	Tuning Protein Frameworks via Auxiliary Supramolecular Interactions.	Acs Nano	2019	13	10343	10350	
6DGU	31235626	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.,Brunetti, F.,Barnes, M.D.,Bonomo, R.A.,Gutkind, G.,Klinke, S.,Power, P.	Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam.	Antimicrob.Agents Chemother.	2019	63	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	
5ZQK	31597763	Dengue Virus Non Structural Protein 5	2018-04-19	2019-06-12	El Sahili, A.,Soh, T.S.,Schiltz, J.,Gharbi-Ayachi, A.,Seh, C.C.,Shi, P.Y.,Lim, S.P.,Lescar, J.	NS5 from Dengue Virus Serotype 2 Can Adopt a Conformation Analogous to That of Its Zika Virus and Japanese Encephalitis Virus Homologues.	J.Virol.	2019	94	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	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.	Structural and Functional Characterization of 4-Hydroxyphenylacetate 3-Hydroxylase from Escherichia coli.	Chembiochem	2020	21	163	170	
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	
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	
6K4E	33156827	SiaA-PP2C domain of Pseudomonas aeruginosa	2019-05-23	2019-06-26	Poh, W.H.,Lin, J.,Colley, B.,Muller, N.,Goh, B.C.,Schleheck, D.,El Sahili, A.,Marquardt, A.,Liang, Y.,Kjelleberg, S.,Lescar, J.,Rice, S.A.,Klebensberger, J.	The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa.	Plos One	2020	15	0	0	
6K4F	33156827	SiaC of Pseudomonas aeruginosa	2019-05-23	2019-06-26	Poh, W.H.,Lin, J.,Colley, B.,Muller, N.,Goh, B.C.,Schleheck, D.,El Sahili, A.,Marquardt, A.,Liang, Y.,Kjelleberg, S.,Lescar, J.,Rice, S.A.,Klebensberger, J.	The SiaABC threonine phosphorylation pathway controls biofilm formation in response to carbon availability in Pseudomonas aeruginosa.	Plos One	2020	15	0	0	
6JKI	31399541	Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD from Pseudomonas aeruginosa	2019-03-01	2019-07-03	Jaroensuk, J.,Wong, Y.H.,Zhong, W.,Liew, C.W.,Maenpuen, S.,Sahili, A.E.,Atichartpongkul, S.,Chionh, Y.H.,Nah, Q.,Thongdee, N.,McBee, M.E.,Prestwich, E.G.,DeMott, M.S.,Chaiyen, P.,Mongkolsuk, S.,Dedon, P.C.,Lescar, J.,Fuangthong, M.	Crystal structure and catalytic mechanism of the essential m1G37 tRNA methyltransferase TrmD fromPseudomonas aeruginosa.	Rna	2019	25	1481	1496	
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	593	2112	2117	
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	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.	Acta Crystallogr.,Sect.F	2019	75	714	724	
6HU8	32198205	Apo form of the competence regulator ComR from Streptococcus vestibularis	2018-10-05	2019-10-23	Ledesma-Garcia, L.,Thuillier, J.,Guzman-Espinola, A.,Ensinck, I.,Li de la Sierra-Gallay, I.,Lazar, N.,Aumont-Nicaise, M.,Mignolet, J.,Soumillion, P.,Nessler, S.,Hols, P.	Molecular dissection of pheromone selectivity in the competence signaling system ComRS of streptococci.	Proc.Natl.Acad.Sci.USA	2020	117	7745	7754	
6NW5	31611236	Crystal structure of TmPep1050 aminopeptidase with its metal cofactors	2019-02-06	2019-10-23	Dutoit, R.,Van Gompel, T.,Brandt, N.,Van Elder, D.,Van Dyck, J.,Sobott, F.,Droogmans, L.	How metal cofactors drive dimer-dodecamer transition of the M42 aminopeptidase TmPep1050 ofThermotoga maritima.	J.Biol.Chem.	2019	294	17777	17789	
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	
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.	MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.	Nat Commun	2019	10	5300	5300	
6ODD	31664822	Crystal structure of the human complex ACP-ISD11	2019-03-26	2019-11-27	Herrera, M.G.,Noguera, M.E.,Sewell, K.E.,Agudelo Suarez, W.A.,Capece, L.,Klinke, S.,Santos, J.	Structure of the Human ACP-ISD11 Heterodimer.	Biochemistry	2019	58	4596	4609	
6HJH	31757955	Myxococcus xanthus MglA bound to GDP	2018-09-03	2019-12-04	Galicia, C.,Lhospice, S.,Varela, P.F.,Trapani, S.,Zhang, W.,Navaza, J.,Herrou, J.,Mignot, T.,Cherfils, J.	MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus.	Nat Commun	2019	10	5300	5300	
6LES	31892719	3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the focal adhesion kinase	2019-11-26	2019-12-11	Momin, A.A.,Hameed, U.F.S.,Arold, S.T.	Passenger sequences can promote interlaced dimers in a common variant of the maltose-binding protein.	Sci Rep	2019	9	20396	20396	
6LF3	31892719	3D domain-swapped dimer of the maltose-binding protein fused to a fragment of the protein-tyrosine kinase 2-beta	2019-11-28	2019-12-11	Momin, A.A.,Hameed, U.F.S.,Arold, S.T.	Passenger sequences can promote interlaced dimers in a common variant of the maltose-binding protein.	Sci Rep	2019	9	20396	20396	
6SU3	32034096	Crystal structure of the 48C12 heliorhodopsin in the violet form at pH 8.8	2019-09-12	2019-12-11	Kovalev, K.,Volkov, D.,Astashkin, R.,Alekseev, A.,Gushchin, I.,Haro-Moreno, J.M.,Chizhov, I.,Siletsky, S.,Mamedov, M.,Rogachev, A.,Balandin, T.,Borshchevskiy, V.,Popov, A.,Bourenkov, G.,Bamberg, E.,Rodriguez-Valera, F.,Buldt, G.,Gordeliy, V.	High-resolution structural insights into the heliorhodopsin family.	Proc.Natl.Acad.Sci.USA	2020	117	4131	4141	
6SU4	32034096	Crystal structure of the 48C12 heliorhodopsin in the blue form at pH 4.3	2019-09-12	2019-12-11	Kovalev, K.,Volkov, D.,Astashkin, R.,Alekseev, A.,Gushchin, I.,Haro-Moreno, J.M.,Chizhov, I.,Siletsky, S.,Mamedov, M.,Rogachev, A.,Balandin, T.,Borshchevskiy, V.,Popov, A.,Bourenkov, G.,Bamberg, E.,Rodriguez-Valera, F.,Buldt, G.,Gordeliy, V.	High-resolution structural insights into the heliorhodopsin family.	Proc.Natl.Acad.Sci.USA	2020	117	4131	4141	
6GWQ	31858714	Crystal Structure of Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab) in Complex with an Inhibitory Nanobody (VHH-2g-42)	2018-06-25	2020-01-01	Sillen, M.,Weeks, S.D.,Zhou, X.,Komissarov, A.A.,Florova, G.,Idell, S.,Strelkov, S.V.,Declerck, P.J.	Molecular mechanism of two nanobodies that inhibit PAI-1 activity reveals a modulation at distinct stages of the PAI-1/plasminogen activator interaction.	J.Thromb.Haemost.	2020	18	681	692	
6S30	31869198	Crystal Structure of Seryl-tRNA Synthetase from Klebsiella pneumoniae	2019-06-23	2020-01-08	Pang, L.,Nautiyal, M.,De Graef, S.,Gadakh, B.,Zorzini, V.,Economou, A.,Strelkov, S.V.,Van Aerschot, A.,Weeks, S.D.	Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.	Acs Chem.Biol.	2020	15	407	415	
6SCX	31875550	Crystal structure of the catalytic domain of human NUDT12 in complex with 7-methyl-guanosine-5'-triphosphate	2019-07-25	2020-01-08	Wu, H.,Li, L.,Chen, K.M.,Homolka, D.,Gos, P.,Fleury-Olela, F.,McCarthy, A.A.,Pillai, R.S.	Decapping Enzyme NUDT12 Partners with BLMH for Cytoplasmic Surveillance of NAD-Capped RNAs.	Cell Rep	2019	29	4422	0	
6SUY	31808772	Yeast cytochrome c in complex with an octa-anionic calix[4]arene	2019-09-17	2020-01-15	Alex, J.M.,Brancatelli, G.,Volpi, S.,Bonaccorso, C.,Casnati, A.,Geremia, S.,Crowley, P.B.	Probing the determinants of porosity in protein frameworks: co-crystals of cytochrome c and an octa-anionic calix[4]arene.	Org.Biomol.Chem.	2020	18	211	214	
6TFX	31922182	Structure in P21 form of the PBP/SBP MoaA in complex with mannopinic acid from A.tumefacien R10	2019-11-14	2020-01-22	Vigouroux, A.,Dore, J.,Marty, L.,Aumont-Nicaise, M.,Legrand, P.,Dessaux, Y.,Vial, L.,Morera, S.	Import pathways of the mannityl-opines into the bacterial pathogen Agrobacterium tumefaciens: structural, affinity and in vivo approaches.	Biochem.J.	2020	477	615	628	
6TG2	31922182	Structure of the PBP/SBP MotA in complex with mannopinic acid from A.tumefacien R10	2019-11-14	2020-01-22	Vigouroux, A.,Dore, J.,Marty, L.,Aumont-Nicaise, M.,Legrand, P.,Dessaux, Y.,Vial, L.,Morera, S.	Import pathways of the mannityl-opines into the bacterial pathogen Agrobacterium tumefaciens: structural, affinity and in vivo approaches.	Biochem.J.	2020	477	615	628	
6NQW		Flagellar protein FcpA from Leptospira biflexa - hexagonal form	2019-01-22	2020-01-29	Gibson, K.,Trajtenberg, F.,Brady, M.,San Martin, F.,Mechaly, A.,Wunder, E.,Picardeau, M.,Ko, A.,Buschiazzo, A.,Sindelar, C.	An asymmetric sheath controls flagellar supercoiling and motility in the Leptospira spirochete	Elife	2020	9	0	0	
6QE2	33916727	Crystal structure of Paleococcus ferrophilus monoacylglycerol lipase.	2019-01-04	2020-02-05	Labar, G.,Brandt, N.,Flaba, A.,Wouters, J.,Leherte, L.	Structure and Dynamics of an Archeal Monoglyceride Lipase from Palaeococcus ferrophilus as Revealed by Crystallography and In Silico Analysis.	Biomolecules	2021	11	0	0	
6R5M		Crystal structure of toxin MT9 from mamba venom	2019-03-25	2020-02-12	Ciolek, J.,Zoukimian, C.,Dhot, J.,Burban, M.,Triquigneaux, M.,Lauzier, B.,Guimbert, C.,Boturyn, D.,Ferron, M.,Ciccone, L.,Tepshi, L.,Stura, E.,Legrand, P.,Robin, P.,Mourier, G.,Schaack, B.,Fellah, I.,Blanchet, G.,Gauthier-Erfanian, C.,Beroud, R.,Servent, D.,De Waard, M.,Gilles, N.	MT9, a natural peptide from black mamba venom antagonizes the muscarinic type 2 receptor and reverses the M2R-agonist-induced relaxation in rat and human arteries	Biomed Pharmacother	2022	150	113094	0	
6TOU	32001700	Rabies virus glycoprotein PH domain in complex with the scFv fragment of broadly neutralizing human antibody RVC20	2019-12-12	2020-02-12	Hellert, J.,Buchrieser, J.,Larrous, F.,Minola, A.,de Melo, G.D.,Soriaga, L.,England, P.,Haouz, A.,Telenti, A.,Schwartz, O.,Corti, D.,Bourhy, H.,Rey, F.A.	Structure of the prefusion-locking broadly neutralizing antibody RVC20 bound to the rabies virus glycoprotein.	Nat Commun	2020	11	596	596	
6STZ	31825399	Crystal structure of dimethylated RSLex - cucurbituril free form	2019-09-12	2020-02-19	Guagnini, F.,Engilberge, S.,Ramberg, K.O.,Perez, J.,Crowley, P.B.	Engineered assembly of a protein-cucurbituril biohybrid.	Chem.Commun.(Camb.)	2020	56	360	363	
6SU0	31825399	Crystal structure of dimethylated RSLex in complex with cucurbit[7]uril	2019-09-12	2020-02-19	Guagnini, F.,Engilberge, S.,Ramberg, K.O.,Perez, J.,Crowley, P.B.	Engineered assembly of a protein-cucurbituril biohybrid.	Chem.Commun.(Camb.)	2020	56	360	363	
6I5D		Crystal structure of an OXA-48 beta-lactamase synthetic mutant	2018-11-13	2020-03-04	Dabos, L.,Zavala, A.,Dortet, L.,Bonnin, R.A.,Beckstein, O.,Retailleau, P.,Iorga, B.I.,Naas, T.	Substrate specificity of an OXA-48 beta-lactamase synthetic mutant	To be published	0	0	0	0	
6RJN	31238127	Crystal structure of a Fungal Catalase at 2.3 Angstroms	2019-04-28	2020-03-04	Gomez, S.,Navas-Yuste, S.,Payne, A.M.,Rivera, W.,Lopez-Estepa, M.,Brangbour, C.,Fulla, D.,Juanhuix, J.,Fernandez, F.J.,Vega, M.C.	Peroxisomal catalases from the yeasts Pichia pastoris and Kluyveromyces lactis as models for oxidative damage in higher eukaryotes.	Free Radic. Biol. Med.	2019	141	279	290	
6SWZ	32073722	Structure of the C-terminal domain of C. glutamicum mycoloyltransferase A	2019-09-24	2020-03-04	Dietrich, C.,Li de la Sierra-Gallay, I.,Masi, M.,Girard, E.,Dautin, N.,Constantinesco-Becker, F.,Tropis, M.,Daffe, M.,van Tilbeurgh, H.,Bayan, N.	The C-terminal domain of Corynebacterium glutamicum mycoloyltransferase A is composed of five repeated motifs involved in cell wall binding and stability.	Mol.Microbiol.	2020	114	1	16	
6T7X	32221299	Crystal structure of PCNA from P. abyssi	2019-10-23	2020-03-04	Madru, C.,Henneke, G.,Raia, P.,Hugonneau-Beaufet, I.,Pehau-Arnaudet, G.,England, P.,Lindahl, E.,Delarue, M.,Carroni, M.,Sauguet, L.	Structural basis for the increased processivity of D-family DNA polymerases in complex with PCNA.	Nat Commun	2020	11	1591	1591	
6Y45	32078310	Crystal Structure of the H33A variant of RsrR	2020-02-19	2020-03-04	Crack, J.C.,Amara, P.,Volbeda, A.,Mouesca, J.M.,Rohac, R.,Pellicer Martinez, M.T.,Huang, C.Y.,Gigarel, O.,Rinaldi, C.,Le Brun, N.E.,Fontecilla-Camps, J.C.	Electron and Proton Transfers Modulate DNA Binding by the Transcription Regulator RsrR.	J.Am.Chem.Soc.	2020	142	5104	5116	
6OC8		Crystal structure of a VHH against the capsid protein from BLV	2019-03-22	2020-03-25	Carrion, F.,Larrieux, N.,Trajtenberg, F.,Gonzalez-Sapienza, G.,Buschiazzo, A.,Pritsch, O.	BLV capsid self-assembly inhibition by heavy chain antibodies	To be Published	0	0	0	0	
6R0R	32879358	Getah virus macro domain in complex with ADPr covalently bond to Cys34	2019-03-13	2020-04-01	Ferreira-Ramos, A.S.,Sulzenbacher, G.,Canard, B.,Coutard, B.	Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.	Sci Rep	2020	10	14422	14422	
6ROK	32192183	The crystal structure of a complex between the LlFpg protein, a THF-DNA and an inhibitor	2019-05-13	2020-04-15	Rieux, C.,Goffinont, S.,Coste, F.,Tber, Z.,Cros, J.,Roy, V.,Guerin, M.,Gaudon, V.,Bourg, S.,Biela, A.,Aucagne, V.,Agrofoglio, L.,Garnier, N.,Castaing, B.	Thiopurine Derivative-Induced Fpg/Nei DNA Glycosylase Inhibition: Structural, Dynamic and Functional Insights.	Int J Mol Sci	2020	21	0	0	
6XX6	32254052	Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal form I	2020-01-27	2020-04-15	Demulder, M.,De Veylder, L.,Loris, R.	Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.	Acta Crystallogr.,Sect.F	2020	76	182	191	
6XX7	32254052	Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal in complex with ANP	2020-01-27	2020-04-15	Demulder, M.,De Veylder, L.,Loris, R.	Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.	Acta Crystallogr.,Sect.F	2020	76	182	191	
6XX8	32254052	Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal form II	2020-01-27	2020-04-15	Demulder, M.,De Veylder, L.,Loris, R.	Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.	Acta Crystallogr.,Sect.F	2020	76	182	191	
6XX9	32254052	Arabidopsis thaliana Casein Kinase 2 (CK2) alpha-1 crystal form III	2020-01-27	2020-04-15	Demulder, M.,De Veylder, L.,Loris, R.	Crystal structure of Arabidopsis thaliana casein kinase 2 alpha 1.	Acta Crystallogr.,Sect.F	2020	76	182	191	
6R72	35080979	Crystal structure of BmrA-E504A in an outward-facing conformation	2019-03-28	2020-05-06	Chaptal, V.,Zampieri, V.,Wiseman, B.,Orelle, C.,Martin, J.,Nguyen, K.A.,Gobet, A.,Di Cesare, M.,Magnard, S.,Javed, W.,Eid, J.,Kilburg, A.,Peuchmaur, M.,Marcoux, J.,Monticelli, L.,Hogbom, M.,Schoehn, G.,Jault, J.M.,Boumendjel, A.,Falson, P.	Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter.	Sci Adv	2022	8	0	0	
6RCY	32866001	CRYSTAL STRUCTURE OF FK1 DOMAIN OF FKBP52 IN COMPLEX WITH A BIO-INSPIRED HYBRID FLUORESCENT LIGAND	2019-04-12	2020-05-13	de la Sierra-Gallay, I.L.,Belnou, M.,Chambraud, B.,Genet, M.,van Tilbeurgh, H.,Aumont-Nicaise, M.,Desmadril, M.,Baulieu, E.E.,Jacquot, Y.,Byrne, C.	Bioinspired Hybrid Fluorescent Ligands for the FK1 Domain of FKBP52.	J.Med.Chem.	2020	63	10330	10338	
6OVP	33278583	Sterol Carrier Protein 2 from Yarrowia Lipolytica (apo form)	2019-05-08	2020-05-20	Gianotti, A.R.,Klinke, S.,Ermacora, M.R.	The structure of unliganded sterol carrier protein 2 from Yarrowia lipolytica unveils a mechanism for binding site occlusion.	J.Struct.Biol.	2020	213	107675	107675	
6UY4	32428996	Crystal structure of dihydroorotate dehydrogenase from Schistosoma mansoni	2019-11-11	2020-05-27	de Mori, R.M.,Aleixo, M.A.A.,Zapata, L.C.C.,Calil, F.A.,Emery, F.S.,Nonato, M.C.	Structural basis for the function and inhibition of dihydroorotate dehydrogenase from Schistosoma mansoni.	Febs J.	2021	288	930	944	
6XVK	32412754	Crystal structure of the KDR (VEGFR2) kinase domain in complex with a type-II inhibitor bearing an acrylamide	2020-01-22	2020-05-27	McAulay, K.,Hoyt, E.A.,Thomas, M.,Schimpl, M.,Bodnarchuk, M.S.,Lewis, H.J.,Barratt, D.,Bhavsar, D.,Robinson, D.M.,Deery, M.J.,Ogg, D.J.,Bernardes, G.J.L.,Ward, R.A.,Waring, M.J.,Kettle, J.G.	Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.	J.Am.Chem.Soc.	2020	142	10358	10372	
6YVG	32423822	Crystal structure of MesI (Lpg2505) from Legionella pneumophila	2020-04-28	2020-06-10	Machtens, D.A.,Willerding, J.M.,Eschenburg, S.,Reubold, T.F.	Crystal structure of the metaeffector MesI (Lpg2505) from Legionella pneumophila.	Biochem.Biophys.Res.Commun.	2020	527	696	701	
6YVG	32423822	Crystal structure of MesI (Lpg2505) from Legionella pneumophila	2020-04-28	2020-06-10	Machtens, D.A.,Willerding, J.M.,Eschenburg, S.,Reubold, T.F.	Crystal structure of the metaeffector MesI (Lpg2505) from Legionella pneumophila.	Biochem.Biophys.Res.Commun.	2020	527	696	701	
6YVG	32423822	Crystal structure of MesI (Lpg2505) from Legionella pneumophila	2020-04-28	2020-06-10	Machtens, D.A.,Willerding, J.M.,Eschenburg, S.,Reubold, T.F.	Crystal structure of the metaeffector MesI (Lpg2505) from Legionella pneumophila.	Biochem.Biophys.Res.Commun.	2020	527	696	701	
6Y1X	32476412	X-ray structure of the radical SAM protein NifB, a key nitrogenase maturating enzyme	2020-02-14	2020-06-17	Fajardo, A.S.,Legrand, P.,Paya-Tormo, L.A.,Martin, L.,Pellicer Marti Nez, M.T.,Echavarri-Erasun, C.,Vernede, X.,Rubio, L.M.,Nicolet, Y.	Structural Insights into the Mechanism of the Radical SAM Carbide Synthase NifB, a Key Nitrogenase Cofactor Maturating Enzyme.	J.Am.Chem.Soc.	2020	142	11006	11012	
6ZA6	32530281	M. tuberculosis salicylate synthase MbtI in complex with Ba2+	2020-06-04	2020-07-01	Mori, M.,Stelitano, G.,Gelain, A.,Pini, E.,Chiarelli, L.R.,Sammartino, J.C.,Poli, G.,Tuccinardi, T.,Beretta, G.,Porta, A.,Bellinzoni, M.,Villa, S.,Meneghetti, F.	Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design.	J.Med.Chem.	2020	63	7066	7080	
6HFA	32935897	Crystal structure of hDM2 in complex with a C-terminal triurea capped peptide chimera foldamer.	2018-08-21	2020-07-08	Cussol, L.,Mauran-Ambrosino, L.,Buratto, J.,Belorusova, A.Y.,Neuville, M.,Osz, J.,Fribourg, S.,Fremaux, J.,Dolain, C.,Goudreau, S.R.,Rochel, N.,Guichard, G.	Structural Basis for alpha-Helix Mimicry and Inhibition of Protein-Protein Interactions with Oligourea Foldamers.	Angew.Chem.Int.Ed.Engl.	2020	0	0	0	
6S2T	32393900	Structure of the N-terminal catalytic region of T. thermophilus Rel bound to ppGpp	2019-06-22	2020-07-08	Tamman, H.,Van Nerom, K.,Takada, H.,Vandenberk, N.,Scholl, D.,Polikanov, Y.,Hofkens, J.,Talavera, A.,Hauryliuk, V.,Hendrix, J.,Garcia-Pino, A.	A nucleotide-switch mechanism mediates opposing catalytic activities of Rel enzymes.	Nat.Chem.Biol.	2020	16	834	840	
6S2U	32393900	Structure of the catalytic domain of T. thermophilus Rel in complex with AMP and ppGpp	2019-06-22	2020-07-08	Tamman, H.,Van Nerom, K.,Takada, H.,Vandenberk, N.,Scholl, D.,Polikanov, Y.,Hofkens, J.,Talavera, A.,Hauryliuk, V.,Hendrix, J.,Garcia-Pino, A.	A nucleotide-switch mechanism mediates opposing catalytic activities of Rel enzymes.	Nat.Chem.Biol.	2020	16	834	840	
6RX9		Crystal structure of TetR from Acinetobacter baumannii AYE	2019-06-07	2020-07-15	Sumyk, M.,Himpich, S.,Foong, W.E.,Herrmann, A.,Pos, K.M.,Tam, H.K.	Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants	Front Microbiol	2021	0	0	0	
6RXB		Crystal structure of TetR-Q116A from Acinetobacter baumannii AYE in complex with minocycline	2019-06-07	2020-07-15	Sumyk, M.,Himpich, S.,Foong, W.E.,Herrmann, A.,Pos, K.M.,Tam, H.K.	Binding of Tetracyclines to Acinetobacter baumannii TetR Involves Two Arginines as Specificity Determinants	Front Microbiol	2021	0	0	0	
6ZA5	32530281	M. tuberculosis salicylate synthase MbtI in complex with salicylate and Mg2+	2020-06-04	2020-07-15	Mori, M.,Stelitano, G.,Gelain, A.,Pini, E.,Chiarelli, L.R.,Sammartino, J.C.,Poli, G.,Tuccinardi, T.,Beretta, G.,Porta, A.,Bellinzoni, M.,Villa, S.,Meneghetti, F.	Shedding X-ray Light on the Role of Magnesium in the Activity ofMycobacterium tuberculosisSalicylate Synthase (MbtI) for Drug Design.	J.Med.Chem.	2020	63	7066	7080	
6PT7		Structure of KatE1 catalase from Acinetobacter sp. Ver3	2019-07-15	2020-07-22	Sartorio, M.G.,Cortez, N.,Gonzalez, J.M.	Structure and functional properties of the cold-adapted catalase from Acinetobacter sp. Ver3 native to the Atacama plateau in northern Argentina	Acta Crystallogr.,Sect.D	2021	0	369	379	
6XVF	32626661	Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021	2020-01-21	2020-07-22	McPhillie, M.J.,Zhou, Y.,Hickman, M.R.,Gordon, J.A.,Weber, C.R.,Li, Q.,Lee, P.J.,Amporndanai, K.,Johnson, R.M.,Darby, H.,Woods, S.,Li, Z.H.,Priestley, R.S.,Ristroph, K.D.,Biering, S.B.,El Bissati, K.,Hwang, S.,Hakim, F.E.,Dovgin, S.M.,Lykins, J.D.,Roberts, L.,Hargrave, K.,Cong, H.,Sinai, A.P.,Muench, S.P.,Dubey, J.P.,Prud'homme, R.K.,Lorenzi, H.A.,Biagini, G.A.,Moreno, S.N.,Roberts, C.W.,Antonyuk, S.V.,Fishwick, C.W.G.,McLeod, R.	Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.	Front Cell Infect Microbiol	2020	10	203	203	
6YPB	32639596	NUDIX1 hydrolase from Rosa x hybrida	2020-04-15	2020-07-22	Sun, P.,Degut, C.,Rety, S.,Caissard, J.C.,Hibrand-Saint Oyant, L.,Bony, A.,Paramita, S.N.,Conart, C.,Magnard, J.L.,Jeauffre, J.,Abd-El-Haliem, A.M.,Marie-Magdelaine, J.,Thouroude, T.,Baltenweck, R.,Tisne, C.,Foucher, F.,Haring, M.,Hugueney, P.,Schuurink, R.C.,Baudino, S.	Functional diversification in the Nudix hydrolase gene family drives sesquiterpene biosynthesis in Rosa × wichurana.	Plant J.	2020	104	185	199	
6XUH	32682158	Crystal structure of human phosphoglucose isomerase in complex with inhibitor	2020-01-20	2020-07-29	Ahmad, L.,Plancqueel, S.,Lazar, N.,Korri-Youssoufi, H.,Li de la Sierra-Gallay, I.,van Tilbeurgh, H.,Salmon, L.	Novel N-substituted 5-phosphate-d-arabinonamide derivatives as strong inhibitors of phosphoglucose isomerases: Synthesis, structure-activity relationship and crystallographic studies.	Bioorg.Chem.	2020	102	104048	104048	
6Z46	32764038	Structure of the S. acidocaldarius 20S proteasome (Saci0613/Saci0662)	2020-05-22	2020-08-05	Tarrason Risa, G.,Hurtig, F.,Bray, S.,Hafner, A.E.,Harker-Kirschneck, L.,Faull, P.,Davis, C.,Papatziamou, D.,Mutavchiev, D.R.,Fan, C.,Meneguello, L.,Arashiro Pulschen, A.,Dey, G.,Culley, S.,Kilkenny, M.,Souza, D.P.,Pellegrini, L.,de Bruin, R.A.M.,Henriques, R.,Snijders, A.P.,Saric, A.,Lindas, A.C.,Robinson, N.P.,Baum, B.	The proteasome controls ESCRT-III-mediated cell division in an archaeon.	Science	2020	369	0	0	
6LD2	32796069	Zika NS5 polymerase domain	2019-11-20	2020-08-12	Gharbi-Ayachi, A.,Santhanakrishnan, S.,Wong, Y.H.,Chan, K.W.K.,Tan, S.T.,Bates, R.W.,Vasudevan, S.G.,El Sahili, A.,Lescar, J.	Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.	J.Virol.	2020	94	0	0	
6LD3	32796069	Zika NS5 polymerase domain	2019-11-20	2020-08-19	Gharbi-Ayachi, A.,Santhanakrishnan, S.,Wong, Y.H.,Chan, K.W.K.,Tan, S.T.,Bates, R.W.,Vasudevan, S.G.,El Sahili, A.,Lescar, J.	Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.	J.Virol.	2020	94	0	0	
6LD4	32796069	Zika NS5 polymerase domain	2019-11-20	2020-08-19	Gharbi-Ayachi, A.,Santhanakrishnan, S.,Wong, Y.H.,Chan, K.W.K.,Tan, S.T.,Bates, R.W.,Vasudevan, S.G.,El Sahili, A.,Lescar, J.	Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.	J.Virol.	2020	94	0	0	
6S99	34432924	Dimethylated fusion protein of RSL and trimeric coiled coil in complex with cucurbit[7]uril	2019-07-11	2020-08-26	Ramberg, K.O.,Guagnini, F.,Engilberge, S.,Wronska, M.A.,Rennie, M.L.,Perez, J.,Crowley, P.B.	Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.	Chemistry	2021	0	0	0	
6SCY	37005440	U34-tRNA thiolase NcsA from Methanococcus maripaludis with its [4Fe-4S] cluster	2019-07-25	2020-08-26	Bimai, O.,Legrand, P.,Ravanat, J.L.,Touati, N.,Zhou, J.,He, N.,Lenon, M.,Barras, F.,Fontecave, M.,Golinelli-Pimpaneau, B.	The thiolation of uridine 34 in tRNA, which controls protein translation, depends on a [4Fe-4S] cluster in the archaeum Methanococcus maripaludis.	Sci Rep	2023	13	5351	5351	
6U4O	33549669	Crystal structure of recombinant class II fumarase from Schistosoma mansoni	2019-08-26	2020-09-02	Cardoso, I.A.,de Souza, A.K.L.,Burgess, A.M.G.,Chalmers, I.W.,Hoffmann, K.F.,Nonato, M.C.	Characterization of class II fumarase from Schistosoma mansoni provides the molecular basis for selective inhibition.	Int.J.Biol.Macromol.	2021	175	406	421	
7C2P	32832873	Structure of Egk Peptide	2020-05-08	2020-09-09	Ong, S.T.,Bajaj, S.,Tanner, M.R.,Chang, S.C.,Krishnarjuna, B.,Ng, X.R.,Morales, R.A.V.,Chen, M.W.,Luo, D.,Patel, D.,Yasmin, S.,Ng, J.J.H.,Zhuang, Z.,Nguyen, H.M.,El Sahili, A.,Lescar, J.,Patil, R.,Charman, S.A.,Robins, E.G.,Goggi, J.L.,Tan, P.W.,Sadasivam, P.,Ramasamy, B.,Hartimath, S.V.,Dhawan, V.,Bednenko, J.,Colussi, P.,Wulff, H.,Pennington, M.W.,Kuyucak, S.,Norton, R.S.,Beeton, C.,Chandy, K.G.	Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin.	Acs Pharmacol Transl Sci	2020	3	720	736	
7CJR	32890780	Crystal structure of a periplasmic sensor domain of histidine kinase VbrK	2020-07-12	2020-09-16	Goh, B.C.,Chua, Y.K.,Qian, X.,Lin, J.,Savko, M.,Dedon, P.C.,Lescar, J.	Crystal structure of the periplasmic sensor domain of histidine kinase VbrK suggests indirect sensing of beta-lactam antibiotics.	J.Struct.Biol.	2020	212	107610	107610	
7CJR	32890780	Crystal structure of a periplasmic sensor domain of histidine kinase VbrK	2020-07-12	2020-09-16	Goh, B.C.,Chua, Y.K.,Qian, X.,Lin, J.,Savko, M.,Dedon, P.C.,Lescar, J.	Crystal structure of the periplasmic sensor domain of histidine kinase VbrK suggests indirect sensing of beta-lactam antibiotics.	J.Struct.Biol.	2020	212	107610	107610	
6TG6	32991829	Toprim domain of RNase M5	2019-11-15	2020-09-23	Oerum, S.,Dendooven, T.,Catala, M.,Gilet, L.,Degut, C.,Trinquier, A.,Bourguet, M.,Barraud, P.,Cianferani, S.,Luisi, B.F.,Condon, C.,Tisne, C.	Structures of B. subtilis Maturation RNases Captured on 50S Ribosome with Pre-rRNAs.	Mol.Cell	2020	80	227	0	
6ZXV		Structure of Archaeoglobus fulgidus Trm11 m2G10 tRNA methyltransferase enzyme bound to sinefungin	2020-07-30	2020-09-23	Wang, C.,Tran, N.V.,Jactel, V.,Guerineau, V.,Graille, M.	Functional and structural characterization of the Trm11-Trm112 m2G10 tRNA methyltransferase complex	Nucleic Acids Res.	2020	0	0	0	
6ZXY		Structure of Archaeoglobus fulgidus Trm11 m2G10 tRNA methyltransferase enzyme	2020-07-30	2020-09-23	Wang, C.,Tran, N.V.,Jactel, V.,Guerineau, V.,Graille, M.	Functional and structural characterization of the Trm11-Trm112 m2G10 tRNA methyltransferase complex	Nucleic Acids Res.	0	0	0	0	
6STH		Highly cationic RSL-R8 in complex with sulfonato-calix[8]arene	2019-09-10	2020-09-30	Skorek, T.,Engilberge, S.,Crowley, P.B.	Highly cationic RSL-R8 in complex with sulfonato-calix[8]arene	To Be Published	0	0	0	0	
6Z93	32929873	[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz)	2020-06-03	2020-09-30	Zhou, J.,Pecqueur, L.,Aucynaite, A.,Fuchs, J.,Rutkiene, R.,Vaitekunas, J.,Meskys, R.,Boll, M.,Fontecave, M.,Urbonavicius, J.,Golinelli-Pimpaneau, B.	Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.	Angew.Chem.Int.Ed.Engl.	2021	60	424	431	
6Z96	32929873	[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) soaked with 4-thiouracil (12.65 keV, 7.125 keV (Fe-SAD) and 6.5 keV (S-SAD) data)	2020-06-03	2020-09-30	Zhou, J.,Pecqueur, L.,Aucynaite, A.,Fuchs, J.,Rutkiene, R.,Vaitekunas, J.,Meskys, R.,Boll, M.,Fontecave, M.,Urbonavicius, J.,Golinelli-Pimpaneau, B.	Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.	Angew.Chem.Int.Ed.Engl.	2021	60	424	431	
6SW8	32867106	Crystal structure of the NS1 (H7N1) RNA-binding domain	2019-09-20	2020-10-07	Wacquiez, A.,Coste, F.,Kut, E.,Gaudon, V.,Trapp, S.,Castaing, B.,Marc, D.	Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1.	Viruses	2020	12	0	0	
6SX0	32867106	Specific dsRNA recognition by wild type H7N1 NS1 RNA-binding domain	2019-09-24	2020-10-07	Wacquiez, A.,Coste, F.,Kut, E.,Gaudon, V.,Trapp, S.,Castaing, B.,Marc, D.	Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1.	Viruses	2020	12	0	0	
6SX2	32867106	dsRNA recognition by R38AK41A mutant of H7N1 NS1 RNA Binding Domain	2019-09-24	2020-10-07	Wacquiez, A.,Coste, F.,Kut, E.,Gaudon, V.,Trapp, S.,Castaing, B.,Marc, D.	Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1.	Viruses	2020	12	0	0	
6ZLC	32867106	Non-specific dsRNA recognition by wildtype H7N1 RNA-binding domain	2020-06-30	2020-10-07	Wacquiez, A.,Coste, F.,Kut, E.,Gaudon, V.,Trapp, S.,Castaing, B.,Marc, D.	Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1.	Viruses	2020	12	0	0	
6Y5F	32937107	Crystal structure of the envelope glycoprotein prefusion complex of Andes virus - Mutant H953F	2020-02-25	2020-10-14	Serris, A.,Stass, R.,Bignon, E.A.,Muena, N.A.,Manuguerra, J.C.,Jangra, R.K.,Li, S.,Chandran, K.,Tischler, N.D.,Huiskonen, J.T.,Rey, F.A.,Guardado-Calvo, P.	The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.	Cell	2020	183	442	0	
6Y5W	32937107	Crystal structure of the envelope glycoprotein complex of Andes virus in a near postfusion conformation	2020-02-26	2020-10-14	Serris, A.,Stass, R.,Bignon, E.A.,Muena, N.A.,Manuguerra, J.C.,Jangra, R.K.,Li, S.,Chandran, K.,Tischler, N.D.,Huiskonen, J.T.,Rey, F.A.,Guardado-Calvo, P.	The Hantavirus Surface Glycoprotein Lattice and Its Fusion Control Mechanism.	Cell	2020	183	442	0	
6TI9	32828431	Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid.	2019-11-22	2020-10-21	Ciccone, L.,Nencetti, S.,Tonali, N.,Fruchart-Gaillard, C.,Shepard, W.,Nuti, E.,Camodeca, C.,Rossello, A.,Orlandini, E.	Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.	Bioorg.Med.Chem.	2020	28	115673	115673	
6Z7T	33049993	Nucleotide-free Myosin-II motor domain	2020-06-01	2020-10-21	Ewert, W.,Franz, P.,Tsiavaliaris, G.,Preller, M.	Structural and Computational Insights into a Blebbistatin-Bound Myosin•ADP Complex with Characteristics of an ADP-Release Conformation along the Two-Step Myosin Power Stoke.	Int J Mol Sci	2020	21	0	0	
6Z7U	33049993	Myosin-II motor domain complexed with blebbistatin in a new ADP-release conformation	2020-06-01	2020-10-21	Ewert, W.,Franz, P.,Tsiavaliaris, G.,Preller, M.	Structural and Computational Insights into a Blebbistatin-Bound Myosin•ADP Complex with Characteristics of an ADP-Release Conformation along the Two-Step Myosin Power Stoke.	Int J Mol Sci	2020	21	0	0	
6VAW	33135679	Peanut lectin complexed with N-beta-D-galactopyranosyl-L-succinamoyl derivative (NGS)	2019-12-18	2020-10-28	Cagnoni, A.J.,Primo, E.D.,Klinke, S.,Cano, M.E.,Giordano, W.,Marino, K.V.,Kovensky, J.,Goldbaum, F.A.,Uhrig, M.L.,Otero, L.H.	Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.	Acta Crystallogr D Struct Biol	2020	76	1080	1091	
6VC3	33135679	Peanut lectin complexed with S-beta-D-thiogalactopyranosyl 6-deoxy-6-S-propynyl-beta-D-glucopyranoside (STG)	2019-12-20	2020-10-28	Cagnoni, A.J.,Primo, E.D.,Klinke, S.,Cano, M.E.,Giordano, W.,Marino, K.V.,Kovensky, J.,Goldbaum, F.A.,Uhrig, M.L.,Otero, L.H.	Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.	Acta Crystallogr D Struct Biol	2020	76	1080	1091	
6VC4	33135679	Peanut lectin complexed with S-beta-D-Thiogalactopyranosyl beta-D-glucopyranoside derivative (STGD)	2019-12-20	2020-10-28	Cagnoni, A.J.,Primo, E.D.,Klinke, S.,Cano, M.E.,Giordano, W.,Marino, K.V.,Kovensky, J.,Goldbaum, F.A.,Uhrig, M.L.,Otero, L.H.	Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands.	Acta Crystallogr D Struct Biol	2020	76	1080	1091	
7AP2	33081246	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound LeuS7HMDDA	2020-10-15	2020-10-28	Zhang, B.,Pang, L.,Nautiyal, M.,De Graef, S.,Gadakh, B.,Lescrinier, E.,Rozenski, J.,Strelkov, S.V.,Weeks, S.D.,Van Aerschot, A.	Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.	Molecules	2020	25	0	0	
6TQS	33124732	The crystal structure of the MSP domain of human MOSPD2 in complex with the conventional FFAT motif of ORP1.	2019-12-17	2020-11-18	Di Mattia, T.,Martinet, A.,Ikhlef, S.,McEwen, A.G.,Nomine, Y.,Wendling, C.,Poussin-Courmontagne, P.,Voilquin, L.,Eberling, P.,Ruffenach, F.,Cavarelli, J.,Slee, J.,Levine, T.P.,Drin, G.,Tomasetto, C.,Alpy, F.	FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.	Embo J.	2020	39	0	0	
6TQU	33124732	The crystal structure of the MSP domain of human MOSPD2 in complex with the Phospho-FFAT motif of STARD3.	2019-12-17	2020-11-18	Di Mattia, T.,Martinet, A.,Ikhlef, S.,McEwen, A.G.,Nomine, Y.,Wendling, C.,Poussin-Courmontagne, P.,Voilquin, L.,Eberling, P.,Ruffenach, F.,Cavarelli, J.,Slee, J.,Levine, T.P.,Drin, G.,Tomasetto, C.,Alpy, F.	FFAT motif phosphorylation controls formation and lipid transfer function of inter-organelle contacts.	Embo J.	2020	39	0	0	
7D7S	33787846	HIV-1 SF2 Nef in complex with the Fyn SH3 R96I mutant	2020-10-05	2020-11-18	Aldehaiman, A.,Momin, A.A.,Restouin, A.,Wang, L.,Shi, X.,Aljedani, S.,Opi, S.,Lugari, A.,Shahul Hameed, U.F.,Ponchon, L.,Morelli, X.,Huang, M.,Dumas, C.,Collette, Y.,Arold, S.T.	Synergy and allostery in ligand binding by HIV-1 Nef.	Biochem.J.	2021	478	1525	1545	
6ZK8	32940290	Native crystal structure of anaerobic F420H2-Oxidase from Methanothermococcus thermolithotrophicus at 1.8A resolution	2020-06-30	2020-11-25	Engilberge, S.,Wagner, T.,Carpentier, P.,Girard, E.,Shima, S.	Krypton-derivatization highlights O 2 -channeling in a four-electron reducing oxidase.	Chem.Commun.(Camb.)	2020	56	10863	10866	
6ZUK		Crystal structure of dimethylated RSL-N23H/G68H (RSL-B6) in complex with cucurbit[7]uril and zinc	2020-07-23	2020-11-25	Guagnini, F.,Engilberge, S.,Flood, R.J.,Ramberg, K.O.,Crowley, P.B.	Metal-Mediated Protein-Cucurbituril Crystalline Architectures	Cryst.Growth Des.	2020	0	0	0	
6ZUL		Crystal structure of dimethylated RSL in complex with cucurbit[7]uril and zinc	2020-07-23	2020-11-25	Guagnini, F.,Engilberge, S.,Flood, R.J.,Ramberg, K.O.,Crowley, P.B.	Metal-Mediated Protein-Cucurbituril Crystalline Architectures	Cryst.Growth Des.	2020	0	0	0	
6ZUM		Crystal structure of dimethylated RSL-N23H (RSL-B3) in complex with cucurbit[7]uril and zinc	2020-07-23	2020-11-25	Guagnini, F.,Engilberge, S.,Flood, R.J.,Ramberg, K.O.,Crowley, P.B.	Metal-Mediated Protein-Cucurbituril Crystalline Architectures	Cryst.Growth Des.	2020	0	0	0	
7AZB		Structure of DDR2 DS domain in complex with VHH	2020-11-16	2020-11-25	Talagas, A.,Nawrotek, A.,Vuillard, L.M.,Miallau, L.	Structure of DDR2 DS domain in complex with VHH	To Be Published	0	0	0	0	
6YKK	33248851	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 15	2020-04-06	2020-12-02	De Ruysscher, D.,Pang, L.,Lenders, S.M.G.,Cappoen, D.,Cos, P.,Rozenski, J.,Strelkov, S.V.,Weeks, S.D.,Van Aerschot, A.	Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.	Eur.J.Med.Chem.	2021	211	113021	113021	
6YKS	33248851	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11d	2020-04-06	2020-12-02	De Ruysscher, D.,Pang, L.,Lenders, S.M.G.,Cappoen, D.,Cos, P.,Rozenski, J.,Strelkov, S.V.,Weeks, S.D.,Van Aerschot, A.	Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.	Eur.J.Med.Chem.	2021	211	113021	113021	
6YKW	33248851	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11h	2020-04-06	2020-12-02	De Ruysscher, D.,Pang, L.,Lenders, S.M.G.,Cappoen, D.,Cos, P.,Rozenski, J.,Strelkov, S.V.,Weeks, S.D.,Van Aerschot, A.	Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.	Eur.J.Med.Chem.	2021	211	113021	113021	
6YKX	33248851	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11j	2020-04-06	2020-12-02	De Ruysscher, D.,Pang, L.,Lenders, S.M.G.,Cappoen, D.,Cos, P.,Rozenski, J.,Strelkov, S.V.,Weeks, S.D.,Van Aerschot, A.	Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.	Eur.J.Med.Chem.	2021	211	113021	113021	
7A0P	33248851	Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11i	2020-08-10	2020-12-02	De Ruysscher, D.,Pang, L.,Lenders, S.M.G.,Cappoen, D.,Cos, P.,Rozenski, J.,Strelkov, S.V.,Weeks, S.D.,Van Aerschot, A.	Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.	Eur.J.Med.Chem.	2021	211	113021	113021	
6TJN	32828431	Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid	2019-11-26	2020-12-16	Ciccone, L.,Nencetti, S.,Tonali, N.,Fruchart-Gaillard, C.,Shepard, W.,Nuti, E.,Camodeca, C.,Rossello, A.,Orlandini, E.	Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis.	Bioorg.Med.Chem.	2020	28	115673	115673	
6TNH	33926955	Deoxyguanylosuccinate synthase (DgsS) quaternary structure with AMPPcP, dGMP, Asp, Magnesium at 2.21 Angstrom resolution	2019-12-08	2020-12-16	Sleiman, D.,Garcia, P.S.,Lagune, M.,Loc'h, J.,Haouz, A.,Taib, N.,Rothlisberger, P.,Gribaldo, S.,Marliere, P.,Kaminski, P.A.	A third purine biosynthetic pathway encoded by aminoadenine-based viral DNA genomes.	Science	2021	372	516	520	
6Y7P		The complex between the eight-bladed symmetrical designer protein Tako8 and 1:2 zirconium(IV) Wells-Dawson (ZrWD)	2020-03-02	2020-12-16	Vandebroek, L.,Noguchi, H.,Kamata, K.,Tame, J.R.H.,Parac-Vogt, T.N.,Voet, A.R.D.	Shape and Size Complementarity-Induced Formation of Supramolecular Protein Assemblies with Metal-Oxo Clusters	Cryst.Growth Des.	2021	0	0	0	
7AYM		Structure of DDR2 Kinase domain in complex with IBZ3	2020-11-12	2020-12-16	Nawrotek, A.,Talagas, A.,Vuillard, L.M.,Miallau, L.	Structure of DDR2 Kinase domain in complex with IBZ3	To Be Published	0	0	0	0	
6TRV	34373510	Structure of SapL1 lectin in complex with alpha methyl fucoside	2019-12-19	2020-12-23	Martinez-Alarcon, D.,Balloy, V.,Bouchara, J.P.,Pieters, R.J.,Varrot, A.	Biochemical and structural studies of target lectin SapL1 from the emerging opportunistic microfungus Scedosporium apiospermum.	Sci Rep	2021	11	16109	16109	
6PH3	33879593	LOV-PAS construct from the LOV-HK sensory protein from Brucella abortus (dark-adapted, construct 15-273)	2019-06-25	2020-12-30	Rinaldi, J.,Fernandez, I.,Shin, H.,Sycz, G.,Gunawardana, S.,Kumarapperuma, I.,Paz, J.M.,Otero, L.H.,Cerutti, M.L.,Zorreguieta, A.,Ren, Z.,Klinke, S.,Yang, X.,Goldbaum, F.A.	Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase.	Mbio	2021	12	0	0	
6PH4	33879593	Full length LOV-PAS-HK construct from the LOV-HK sensory protein from Brucella abortus (light-adapted, construct 15-489)	2019-06-25	2020-12-30	Rinaldi, J.,Fernandez, I.,Shin, H.,Sycz, G.,Gunawardana, S.,Kumarapperuma, I.,Paz, J.M.,Otero, L.H.,Cerutti, M.L.,Zorreguieta, A.,Ren, Z.,Klinke, S.,Yang, X.,Goldbaum, F.A.	Dimer Asymmetry and Light Activation Mechanism in Brucella Blue-Light Sensor Histidine Kinase.	Mbio	2021	12	0	0	
6Y3G	32680846	Crystal structure of phenylalanine tRNA from Escherichia coli	2020-02-18	2020-12-30	Bourgeois, G.,Seguin, J.,Babin, M.,Gondry, M.,Mechulam, Y.,Schmitt, E.	Structural basis of the interaction between cyclodipeptide synthases and aminoacylated tRNA substrates.	Rna	2020	26	1589	1602	
6Y4B	32680846	Structure of cyclodipeptide synthase from Candidatus Glomeribacter gigasporarum bound to Phe-tRNAPhe	2020-02-20	2020-12-30	Bourgeois, G.,Seguin, J.,Babin, M.,Gondry, M.,Mechulam, Y.,Schmitt, E.	Structural basis of the interaction between cyclodipeptide synthases and aminoacylated tRNA substrates.	Rna	2020	26	1589	1602	
7A17	33349335	Crystal structure of the 5-phosphatase domain of Synaptojanin1 bound to its substrate diC8-PI(3,4,5)P3 in complex with a nanobody	2020-08-12	2020-12-30	Paesmans, J.,Martin, E.,Deckers, B.,Berghmans, M.,Sethi, R.,Loeys, Y.,Pardon, E.,Steyaert, J.,Verstreken, P.,Galicia, C.,Versees, W.	A structure of substrate-bound Synaptojanin1 provides new insights in its mechanism and the effect of disease mutations.	Elife	2020	9	0	0	
7AIJ	33356231	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR	2020-09-27	2021-01-13	Gu, W.,Martinez, S.,Nguyen, H.,Xu, H.,Herdewijn, P.,De Jonghe, S.,Das, K.	Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.	J.Med.Chem.	2021	64	782	796	
7B19	33374308	Mutant Myosin-II-GGG motor domain	2020-11-24	2021-01-13	Franz, P.,Ewert, W.,Preller, M.,Tsiavaliaris, G.	Unraveling a Force-Generating Allosteric Pathway of Actomyosin Communication Associated with ADP and P i Release.	Int J Mol Sci	2020	22	0	0	
6TIU	33544140	DROSOPHILA GTP-TUBULIN Y222F MUTANT	2019-11-22	2021-01-27	Ayukawa, R.,Iwata, S.,Imai, H.,Kamimura, S.,Hayashi, M.,Ngo, K.X.,Minoura, I.,Uchimura, S.,Makino, T.,Shirouzu, M.,Shigematsu, H.,Sekimoto, K.,Gigant, B.,Muto, E.	GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.	J.Cell Biol.	2021	220	0	0	
6TIZ	33544140	DROSOPHILA GDP-TUBULIN Y222F MUTANT	2019-11-22	2021-01-27	Ayukawa, R.,Iwata, S.,Imai, H.,Kamimura, S.,Hayashi, M.,Ngo, K.X.,Minoura, I.,Uchimura, S.,Makino, T.,Shirouzu, M.,Shigematsu, H.,Sekimoto, K.,Gigant, B.,Muto, E.	GTP-dependent formation of straight tubulin oligomers leads to microtubule nucleation.	J.Cell Biol.	2021	220	0	0	
7A3Z	33513284	OSM-3 kinesin motor domain complexed with Mg.ADP	2020-08-19	2021-02-03	Varela, P.F.,Chenon, M.,Velours, C.,Verhey, K.J.,Menetrey, J.,Gigant, B.	Structural snapshots of the kinesin-2 OSM-3 along its nucleotide cycle: implications for the ATP hydrolysis mechanism.	Febs Open Bio	2021	11	564	577	
7BFO	33513869	Thermogutta terrifontis esterase 2 phosphonylated by VX	2021-01-04	2021-02-10	Bzdrenga, J.,Trenet, E.,Chantegreil, F.,Bernal, K.,Nachon, F.,Brazzolotto, X.	A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.	Molecules	2021	26	0	0	
7BFR	33513869	Thermogutta terrifontis esterase 2 phosphorylated by paraoxon	2021-01-04	2021-02-10	Bzdrenga, J.,Trenet, E.,Chantegreil, F.,Bernal, K.,Nachon, F.,Brazzolotto, X.	A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.	Molecules	2021	26	0	0	
7BFT	33513869	Thermogutta terrifontis esterase 2 phosphoramylated by tabun	2021-01-04	2021-02-10	Bzdrenga, J.,Trenet, E.,Chantegreil, F.,Bernal, K.,Nachon, F.,Brazzolotto, X.	A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.	Molecules	2021	26	0	0	
7BFU	33513869	Thermogutta terrifontis esterase 2 phosphonylated by sarin	2021-01-04	2021-02-10	Bzdrenga, J.,Trenet, E.,Chantegreil, F.,Bernal, K.,Nachon, F.,Brazzolotto, X.	A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.	Molecules	2021	26	0	0	
7D5D	33503265	Left-handed G-quadruplex containing one bulge	2020-09-25	2021-02-10	Das, P.,Ngo, K.H.,Winnerdy, F.R.,Maity, A.,Bakalar, B.,Mechulam, Y.,Schmitt, E.,Phan, A.T.	Bulges in left-handed G-quadruplexes.	Nucleic Acids Res.	2021	49	1724	1736	
6Y0J		Cytochrome c in complex with phosphonato-calix[6]arene and sulfonato-calix[8]arene	2020-02-07	2021-02-17	Mockler, N.M.,Engilberge, S.,Rennie, M.L.,Raston, C.L.,Crowley, P.B.	Protein-macrocycle framework engineering: supramolecular copolymerisation with two disparate calixarenes	Supramolecular Chemistry	2021	0	1	7	
7A7P	33543524	rsGreen0.7-K206A partially in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A7Q	33543524	rsGreenF-K206A in the green-on state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A7R	33543524	rsGreenF-K206A in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A7S	33543524	rsGreenF in the green-on state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A7T	33543524	rsGreenF partially in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A7U	33543524	rsGreen1 in the green-on state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A7V	33543524	rsGreen1-K206A partially in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A7X	33543524	rsGreen0.7-F145M in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A82	33543524	rsGreen0.7-K206A-F145A partially in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A83	33543524	rsGreen0.7-K206A-F145H in the green-on-state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A84	33543524	rsGreen0.7-K206A-F145H partially in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A86	33543524	rsGreen0.7-K206A-F145L partially in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A89	33543524	rsGreen0.7-K206A-F145Q in the green-on state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A8A	33543524	rsGreen0.7-K206A-F145Q partially in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A8C	33543524	rsGreen0.7-K206A-F145S in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A8F	33543524	rsGreen0.7-K206A-F165L in the green-on state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A8G	33543524	rsGreen0.7-K206A-H148G in the green-on state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A8H	33543524	rsGreen0.7-K206A-H148S in the green-on state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A8I	33543524	rsGreen0.7-K206A-H148S partially in the green-off state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
7A8N	33543524	rsGreen0.7-K206A-N205L in the green-on state	2020-08-30	2021-02-17	De Zitter, E.,Hugelier, S.,Duwe, S.,Vandenberg, W.,Tebo, A.G.,Van Meervelt, L.,Dedecker, P.	Structure-Function Dataset Reveals Environment Effects within a Fluorescent Protein Model System*.	Angew.Chem.Int.Ed.Engl.	2021	60	10073	10081	
6YAY	33563593	Crystal structure of a Selenium-derivatized complex of the bacterial cellulose secretion regulators BcsR and BcsQ, crystallized in the presence of ADP	2020-03-14	2021-02-24	Abidi, W.,Zouhir, S.,Caleechurn, M.,Roche, S.,Krasteva, P.V.	Architecture and regulation of an enterobacterial cellulose secretion system.	Sci Adv	2021	7	0	0	
6YB5	33563593	Orthorhombic crystal structure of a native BcsRQ complex crystallized in the presence of ADP	2020-03-15	2021-02-24	Abidi, W.,Zouhir, S.,Caleechurn, M.,Roche, S.,Krasteva, P.V.	Architecture and regulation of an enterobacterial cellulose secretion system.	Sci Adv	2021	7	0	0	
6YBB	33563593	Crystal structure of a native BcsE (217-523) - BcsR-BcsQ (R156E mutant) complex with c-di-GMP and ATP bound	2020-03-16	2021-02-24	Abidi, W.,Zouhir, S.,Caleechurn, M.,Roche, S.,Krasteva, P.V.	Architecture and regulation of an enterobacterial cellulose secretion system.	Sci Adv	2021	7	0	0	
6YBU	33563593	Crystal structure of a native BcsE (349-523) RQ complex with c-di-GMP and ATP bound	2020-03-17	2021-02-24	Abidi, W.,Zouhir, S.,Caleechurn, M.,Roche, S.,Krasteva, P.V.	Architecture and regulation of an enterobacterial cellulose secretion system.	Sci Adv	2021	7	0	0	
6ZXR	34137369	Crystal structure of the KDEL receptor bound to RDEL peptide at pH 6.0	2020-07-30	2021-02-24	Gerondopoulos, A.,Brauer, P.,Sobajima, T.,Wu, Z.,Parker, J.L.,Biggin, P.C.,Barr, F.A.,Newstead, S.	A signal capture and proofreading mechanism for the KDEL-receptor explains selectivity and dynamic range in ER retrieval.	Elife	2021	10	0	0	
6YSY	33035452	Skeletal Myosin bound to MPH-220, MgADP-VO4	2020-04-23	2021-03-03	Gyimesi, M.,Horvath, A.I.,Turos, D.,Suthar, S.K.,Penzes, M.,Kurdi, C.,Canon, L.,Kikuti, C.,Ruppel, K.M.,Trivedi, D.V.,Spudich, J.A.,Lorincz, I.,Rauscher, A.A.,Kovacs, M.,Pal, E.,Komoly, S.,Houdusse, A.,Malnasi-Csizmadia, A.	Single Residue Variation in Skeletal Muscle Myosin Enables Direct and Selective Drug Targeting for Spasticity and Muscle Stiffness.	Cell	2020	183	335	0	
6ZP9	33893297	Cyanophage S-2L Primase-Polymerase (PrimPol), AEP domain (PP-N190)	2020-07-08	2021-03-03	Czernecki, D.,Legrand, P.,Tekpinar, M.,Rosario, S.,Kaminski, P.A.,Delarue, M.	How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.	Nat Commun	2021	12	2420	2420	
6ZPA	33893297	Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dA and one catalytic Zn2+ ion	2020-07-08	2021-03-03	Czernecki, D.,Legrand, P.,Tekpinar, M.,Rosario, S.,Kaminski, P.A.,Delarue, M.	How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.	Nat Commun	2021	12	2420	2420	
6ZPC	33893297	Cyanophage S-2L HD phosphohydrolase (DatZ) bound to dATP	2020-07-08	2021-03-03	Czernecki, D.,Legrand, P.,Tekpinar, M.,Rosario, S.,Kaminski, P.A.,Delarue, M.	How cyanophage S-2L rejects adenine and incorporates 2-aminoadenine to saturate hydrogen bonding in its DNA.	Nat Commun	2021	12	2420	2420	
7AW2	33683117	MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library	2020-11-06	2021-03-03	Nissink, J.W.M.,Bazzaz, S.,Blackett, C.,Clark, M.A.,Collingwood, O.,Disch, J.S.,Gikunju, D.,Goldberg, K.,Guilinger, J.P.,Hardaker, E.,Hennessy, E.J.,Jetson, R.,Keefe, A.D.,McCoull, W.,McMurray, L.,Olszewski, A.,Overman, R.,Pflug, A.,Preston, M.,Rawlins, P.B.,Rivers, E.,Schimpl, M.,Smith, P.,Truman, C.,Underwood, E.,Warwicker, J.,Winter-Holt, J.,Woodcock, S.,Zhang, Y.	Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.	J.Med.Chem.	2021	64	3165	3184	
6UCT		Crystal structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (C-arm deletion mutant)	2019-09-17	2021-03-17	Llauger, G.,Klinke, S.,Monti, D.,Sycz, G.,Cerutti, M.L.,Goldbaum, F.A.,del Vas, M.,Otero, L.H.	Crystal structure of Mal de Rio Cuarto virus P9-1 viroplasm protein (C-arm deletion mutant)	To Be Published	0	0	0	0	
6Z2B	33541205	Toprim domain of RNase M5 bound with two Mg2+ ions	2020-05-15	2021-03-17	Oerum, S.,Catala, M.,Bourguet, M.,Gilet, L.,Barraud, P.,Cianferani, S.,Condon, C.,Tisne, C.	Structural studies of RNase M5 reveal two-metal-ion supported two-step dsRNA cleavage for 5S rRNA maturation.	Rna Biol.	2021	18	1996	2006	
7BAD	33631304	Crystal structure of PAFB in complex with p-sulfonato-calix[8]arene and zinc	2020-12-15	2021-03-17	Guagnini, F.,Huber, A.,Alex, J.M.,Marx, F.,Crowley, P.B.	Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene.	J.Struct.Biol.	2021	213	107711	107711	
7BAE	33631304	Crystal structure of PAFB	2020-12-15	2021-03-17	Guagnini, F.,Huber, A.,Alex, J.M.,Marx, F.,Crowley, P.B.	Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene.	J.Struct.Biol.	2021	213	107711	107711	
7BAF	33631304	Crystal structure of PAFB in complex with zinc	2020-12-15	2021-03-17	Guagnini, F.,Huber, A.,Alex, J.M.,Marx, F.,Crowley, P.B.	Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene.	J.Struct.Biol.	2021	213	107711	107711	
6Z1C	33793856	Crystal structure of Arabidopsis thaliana CK2-alpha-1 in complex with TTP-22	2020-05-13	2021-03-24	Wei, P.,Demulder, M.,David, P.,Eekhout, T.,Yoshiyama, K.O.,Nguyen, L.,Vercauteren, I.,Eeckhout, D.,Galle, M.,De Jaeger, G.,Larsen, P.,Audenaert, D.,Desnos, T.,Nussaume, L.,Loris, R.,De Veylder, L.	Arabidopsis casein kinase 2 triggers stem cell exhaustion under Al toxicity and phosphate deficiency through activating the DNA damage response pathway.	Plant Cell	2021	33	1361	1380	
6Y2S		Escherichia coli R318A RnlA endoribonuclease (single alanine mutant of RnlA)	2020-02-17	2021-03-31	Garcia-Rodriguez, G.,Talavera Perez, A.,Wilmaerts, D.,Michiels, J.,Charlier, D.,Loris, R.	Quaternary structure changes control ribonuclease activity of RnlA toxin.	To Be Published	0	0	0	0	
7AL2	34088904	Cell division protein SepF from Methanobrevibacter smithii in complex with FtsZ-CTD	2020-10-04	2021-03-31	Pende, N.,Sogues, A.,Megrian, D.,Sartori-Rupp, A.,England, P.,Palabikyan, H.,Rittmann, S.K.R.,Grana, M.,Wehenkel, A.M.,Alzari, P.M.,Gribaldo, S.	SepF is the FtsZ anchor in archaea, with features of an ancestral cell division system.	Nat Commun	2021	12	3214	3214	
6Z5P	33470808	The RSL-R8 - sulfonato-calix[8]arene complex, P3 form, TRIS-HCl pH 8.5	2020-05-27	2021-04-07	Ramberg, K.O.,Engilberge, S.,Skorek, T.,Crowley, P.B.	Facile Fabrication of Protein-Macrocycle Frameworks.	J.Am.Chem.Soc.	2021	143	1896	1907	
6Z5Q	33470808	The RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0	2020-05-27	2021-04-07	Ramberg, K.O.,Engilberge, S.,Skorek, T.,Crowley, P.B.	Facile Fabrication of Protein-Macrocycle Frameworks.	J.Am.Chem.Soc.	2021	143	1896	1907	
6Z5X	33470808	The RSL - sulfonato-calix[8]arene complex, P213 form, acetate pH 4.8	2020-05-27	2021-04-07	Ramberg, K.O.,Engilberge, S.,Skorek, T.,Crowley, P.B.	Facile Fabrication of Protein-Macrocycle Frameworks.	J.Am.Chem.Soc.	2021	143	1896	1907	
7ALF	33470808	The dimethylated RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0	2020-10-06	2021-04-07	Ramberg, K.O.,Engilberge, S.,Skorek, T.,Crowley, P.B.	Facile Fabrication of Protein-Macrocycle Frameworks.	J.Am.Chem.Soc.	2021	143	1896	1907	
7ALG	33470808	The RSLex - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0	2020-10-06	2021-04-07	Ramberg, K.O.,Engilberge, S.,Skorek, T.,Crowley, P.B.	Facile Fabrication of Protein-Macrocycle Frameworks.	J.Am.Chem.Soc.	2021	143	1896	1907	
6Y2P	34139012	Escherichia coli RnlA-RnlB Toxin-Antitoxin System.	2020-02-17	2021-04-14	Garcia-Rodriguez, G.,Charlier, D.,Wilmaerts, D.,Michiels, J.,Loris, R.	Alternative dimerization is required for activity and inhibition of the HEPN ribonuclease RnlA.	Nucleic Acids Res.	2021	49	7164	7178	
6Z5M	33470808	The RSL - sulfonato-calix[8]arene complex, I23 form, Gly-HCl pH 2.2	2020-05-26	2021-04-14	Ramberg, K.O.,Engilberge, S.,Skorek, T.,Crowley, P.B.	Facile Fabrication of Protein-Macrocycle Frameworks.	J.Am.Chem.Soc.	2021	143	1896	1907	
6Z5W	33470808	The RSL - sulfonato-calix[8]arene complex, P213 form, MES pH 6.8	2020-05-27	2021-04-14	Ramberg, K.O.,Engilberge, S.,Skorek, T.,Crowley, P.B.	Facile Fabrication of Protein-Macrocycle Frameworks.	J.Am.Chem.Soc.	2021	143	1896	1907	
6Z5Z	33470808	The RSL-R6 - sulfonato-calix[8]arene complex, P213 form, TRIS-HCl pH 8.5	2020-05-27	2021-04-14	Ramberg, K.O.,Engilberge, S.,Skorek, T.,Crowley, P.B.	Facile Fabrication of Protein-Macrocycle Frameworks.	J.Am.Chem.Soc.	2021	143	1896	1907	
6Z60	33470808	The RSL - sulfonato-calix[8]arene complex, P213 form, CAPS pH 9.5	2020-05-27	2021-04-14	Ramberg, K.O.,Engilberge, S.,Skorek, T.,Crowley, P.B.	Facile Fabrication of Protein-Macrocycle Frameworks.	J.Am.Chem.Soc.	2021	143	1896	1907	
6Z62	33470808	The RSL - sulfonato-calix[8]arene complex, P213 form, TRIS-HCl pH 8.5	2020-05-27	2021-04-14	Ramberg, K.O.,Engilberge, S.,Skorek, T.,Crowley, P.B.	Facile Fabrication of Protein-Macrocycle Frameworks.	J.Am.Chem.Soc.	2021	143	1896	1907	
6T66	34107018	Crystal structure of the Vibrio cholerae replicative helicase (DnaB) with GDP-AlF4	2019-10-17	2021-04-28	Marsin, S.,Adam, Y.,Cargemel, C.,Andreani, J.,Baconnais, S.,Legrand, P.,Li de la Sierra-Gallay, I.,Humbert, A.,Aumont-Nicaise, M.,Velours, C.,Ochsenbein, F.,Durand, D.,Le Cam, E.,Walbott, H.,Possoz, C.,Quevillon-Cheruel, S.,Ferat, J.L.	Study of the DnaB:DciA interplay reveals insights into the primary mode of loading of the bacterial replicative helicase.	Nucleic Acids Res.	2021	49	6569	6586	
6ZD6	33856462	Structure of apo telomerase from Candida Tropicalis	2020-06-13	2021-04-28	Zhai, L.T.,Rety, S.,Chen, W.F.,Song, Z.Y.,Auguin, D.,Sun, B.,Dou, S.X.,Xi, X.G.	Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.	Nucleic Acids Res.	2021	49	4768	4781	
6ZDU	33856462	Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA	2020-06-15	2021-04-28	Zhai, L.T.,Rety, S.,Chen, W.F.,Song, Z.Y.,Auguin, D.,Sun, B.,Dou, S.X.,Xi, X.G.	Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.	Nucleic Acids Res.	2021	49	4768	4781	
6ZGN	33816557	Crystal structure of VirB8-like OrfG central domain of Streptococcus thermophilus ICESt3; a putative assembly factor of a gram positive conjugative Type IV secretion system.	2020-06-19	2021-04-28	Cappele, J.,Mohamad Ali, A.,Leblond-Bourget, N.,Mathiot, S.,Dhalleine, T.,Payot, S.,Savko, M.,Didierjean, C.,Favier, F.,Douzi, B.	Structural and Biochemical Analysis of OrfG: The VirB8-like Component of the Conjugative Type IV Secretion System of ICE St3 From Streptococcus thermophilus .	Front Mol Biosci	2021	8	642606	642606	
7BGC	33829779	human butyrylcholinesterase in complex with a tacrine-methylanacardate hybrid inhibitor	2021-01-06	2021-04-28	Rossi, M.,Freschi, M.,de Camargo Nascente, L.,Salerno, A.,de Melo Viana Teixeira, S.,Nachon, F.,Chantegreil, F.,Soukup, O.,Prchal, L.,Malaguti, M.,Bergamini, C.,Bartolini, M.,Angeloni, C.,Hrelia, S.,Soares Romeiro, L.A.,Bolognesi, M.L.	Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer's Disease.	J.Med.Chem.	2021	64	4972	4990	
6ZHP		Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic	2020-06-23	2021-05-05	Sousa, C.F.,Morais-Cabral, J.,Gameiro, P.	Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic	To Be Published	0	0	0	0	
6ZHV		Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic	2020-06-23	2021-05-05	Sousa, C.F.,Morais-Cabral, J.,Gameiro, P.	Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic	To Be Published	0	0	0	0	
7A4T	33893235	Crystal structure of the GCN coiled-coil in complex with nanobody Nb39	2020-08-20	2021-05-05	Majerle, A.,Hadzi, S.,Aupic, J.,Satler, T.,Lapenta, F.,Strmsek, Z.,Lah, J.,Loris, R.,Jerala, R.	A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.	Proc.Natl.Acad.Sci.USA	2021	118	0	0	
7A4Y	33893235	Crystal structure of the P5P6 coiled-coil in complex with nanobody Nb34.	2020-08-20	2021-05-05	Majerle, A.,Hadzi, S.,Aupic, J.,Satler, T.,Lapenta, F.,Strmsek, Z.,Lah, J.,Loris, R.,Jerala, R.	A nanobody toolbox targeting dimeric coiled-coil modules for functionalization of designed protein origami structures.	Proc.Natl.Acad.Sci.USA	2021	118	0	0	
6Y2R	34139012	Escherichia coli R255A RnlA endoribonuclease (single alanine mutant of RnlA)	2020-02-17	2021-05-12	Garcia-Rodriguez, G.,Charlier, D.,Wilmaerts, D.,Michiels, J.,Loris, R.	Alternative dimerization is required for activity and inhibition of the HEPN ribonuclease RnlA.	Nucleic Acids Res.	2021	49	7164	7178	
6ZO7	34188038	3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer	2020-07-07	2021-05-19	Tam, H.K.,Foong, W.E.,Oswald, C.,Herrmann, A.,Zeng, H.,Pos, K.M.	Allosteric drug transport mechanism of multidrug transporter AcrB.	Nat Commun	2021	12	3889	3889	
6ZO8	34188038	Minocycline binding to the deep binding pocket of AcrB-G621P	2020-07-07	2021-05-19	Tam, H.K.,Foong, W.E.,Oswald, C.,Herrmann, A.,Zeng, H.,Pos, K.M.	Allosteric drug transport mechanism of multidrug transporter AcrB.	Nat Commun	2021	12	3889	3889	
6ZOH	34188038	3-Formylrifamycin SV binding to the access pocket of AcrB-G619P_G621P L and T protomers	2020-07-07	2021-05-19	Tam, H.K.,Foong, W.E.,Oswald, C.,Herrmann, A.,Zeng, H.,Pos, K.M.	Allosteric drug transport mechanism of multidrug transporter AcrB.	Nat Commun	2021	12	3889	3889	
7ASW	33930214	Crystal structure of chloroplastic thioredoxin z defines a novel type-specific target recognition	2020-10-28	2021-05-19	Le Moigne, T.,Gurrieri, L.,Crozet, P.,Marchand, C.H.,Zaffagnini, M.,Sparla, F.,Lemaire, S.D.,Henri, J.	Crystal structure of chloroplastic thioredoxin z defines a type-specific target recognition.	Plant J.	2021	107	434	447	
6Z2H	34294920	Citryl-CoA lyase module of human ATP citrate lyase in complex with (3S)-citryl-CoA.	2020-05-15	2021-05-26	Verstraete, K.,Verschueren, K.H.G.,Dansercoer, A.,Savvides, S.N.	Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase.	Nat.Struct.Mol.Biol.	2021	28	636	638	
7AMZ	33838585	Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide	2020-10-10	2021-05-26	Pasieka, A.,Panek, D.,Jonczyk, J.,Godyn, J.,Szalaj, N.,Latacz, G.,Tabor, J.,Mezeiova, E.,Chantegreil, F.,Dias, J.,Knez, D.,Lu, J.,Pi, R.,Korabecny, J.,Brazzolotto, X.,Gobec, S.,Hofner, G.,Wanner, K.,Wieckowska, A.,Malawska, B.	Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters.	Eur.J.Med.Chem.	2021	218	113397	113397	
7C8L	34850204	Hybrid designing of potent inhibitors of Striga strigolactone receptor ShHTL7	2020-06-02	2021-06-02	Zarban, R.A.,Hameed, U.F.S.,Jamil, M.,Ota, T.,Wang, J.Y.,Arold, S.T.,Asami, T.,Al-Babili, S.	Rational design of Striga hermonthica-specific seed germination inhibitors.	Plant Physiol.	2022	188	1369	1384	
6Z2S		Crystal structure of adhibin analogue-bound myosin-2	2020-05-18	2021-06-09	Bader, A.,Ewert, W.,Knoelker, H.-J.,Preller, M.,Tsiavaliaris, G.	The synthetic carbazole adhibin acts as selective myosin class-IX inhibitor in lung cancer cells	To Be Published	0	0	0	0	
6Z7I	35612361	Crystal structure of CTX-M-15 E166Q mutant apoenzyme	2020-05-31	2021-06-09	Hinchliffe, P.,Tooke, C.L.,Bethel, C.R.,Wang, B.,Arthur, C.,Heesom, K.J.,Shapiro, S.,Schlatzer, D.M.,Papp-Wallace, K.M.,Bonomo, R.A.,Spencer, J.	Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.	Mbio	2022	0	0	0	
6ZWE	33672269	Crystal structure of human acetylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide)	2020-07-28	2021-06-09	Chavarria, D.,Da Silva, O.,Benfeito, S.,Barreiro, S.,Garrido, J.,Cagide, F.,Soares, P.,Remiao, F.,Brazzolotto, X.,Nachon, F.,Oliveira, P.J.,Dias, J.,Borges, F.	Fine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases.	Antioxidants (Basel)	2021	10	0	0	
6ZWI	33672269	Human butyrylcholinesterase in complex with ((6-((2E,4E)-5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienamido)hexyl)triphenylphosphonium bromide)	2020-07-28	2021-06-09	Chavarria, D.,Da Silva, O.,Benfeito, S.,Barreiro, S.,Garrido, J.,Cagide, F.,Soares, P.,Remiao, F.,Brazzolotto, X.,Nachon, F.,Oliveira, P.J.,Dias, J.,Borges, F.	Fine-Tuning the Biological Profile of Multitarget Mitochondriotropic Antioxidants for Neurodegenerative Diseases.	Antioxidants (Basel)	2021	10	0	0	
6ZFS		Crystal structure of bovine cytochrome bc1 in complex with quinolone inhibitor WDH-1U-4	2020-06-17	2021-06-30	Amporndanai, K.,O'Neill, P.M.,Hong, W.D.,Amewu, R.K.,Pidathala, C.,Berry, N.,Biangini, G.A.,Leung, S.C.,Hasnain, S.S.,Antonyuk, S.V.	Targeting the ubiquinol-reduction (Qi) site of the mitochondrial cytochrome bc1 complex for the development of next generation quinolone antimalarials	To Be Published	0	0	0	0	
6ZUI	35013284	Crystal structure of the Cys-Ser mutant of the cpYFP-based biosensor for hypochlorous acid	2020-07-23	2021-06-30	Kostyuk, A.I.,Tossounian, M.A.,Panova, A.S.,Thauvin, M.,Raevskii, R.I.,Ezerina, D.,Wahni, K.,Van Molle, I.,Sergeeva, A.D.,Vertommen, D.,Gorokhovatsky, A.Y.,Baranov, M.S.,Vriz, S.,Messens, J.,Bilan, D.S.,Belousov, V.V.	Hypocrates is a genetically encoded fluorescent biosensor for (pseudo)hypohalous acids and their derivatives.	Nat Commun	2022	13	171	171	
7NYJ	34162975	Structure of OBP1 from Varroa destructor, form P3<2>21	2021-03-22	2021-07-07	Amigues, B.,Zhu, J.,Gaubert, A.,Arena, S.,Renzone, G.,Leone, P.,Fischer, I.M.,Paulsen, H.,Knoll, W.,Scaloni, A.,Roussel, A.,Cambillau, C.,Pelosi, P.	A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity.	Sci Rep	2021	11	13172	13172	
7BM6	34184062	Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT	2021-01-19	2021-07-14	Jouanneau, D.,Klau, L.J.,Larocque, R.,Jaffrennou, A.,Duval, G.,Le Duff, N.,Roret, T.,Jeudy, A.,Aachmann, F.L.,Czjzek, M.,Thomas, F.	Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT.	Glycobiology	2021	31	1364	1377	
6ZWK	34282773	Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody)	2020-07-28	2021-07-21	Moeglin, E.,Desplancq, D.,Stoessel, A.,Massute, C.,Ranniger, J.,McEwen, A.G.,Zeder-Lutz, G.,Oulad-Abdelghani, M.,Chiper, M.,Lafaye, P.,Di Ventura, B.,Didier, P.,Poterszman, A.,Weiss, E.	A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress.	Cancers (Basel)	2021	13	0	0	
6ZZ3	33559609	RBcel1 cellulase variant Y201F with cellotriose covalently bound	2020-08-03	2021-07-21	Collet, L.,Vander Wauven, C.,Oudjama, Y.,Galleni, M.,Dutoit, R.	Glycoside hydrolase family 5: structural snapshots highlighting the involvement of two conserved residues in catalysis.	Acta Crystallogr D Struct Biol	2021	77	205	216	
7NDW	34315871	ThyX-FADH2 soaked with 20 mM Formaldehyde	2021-02-02	2021-07-21	Bou-Nader, C.,Stull, F.W.,Pecqueur, L.,Simon, P.,Guerineau, V.,Royant, A.,Fontecave, M.,Lombard, M.,Palfey, B.A.,Hamdane, D.	An enzymatic activation of formaldehyde for nucleotide methylation.	Nat Commun	2021	12	4542	4542	
7NDZ	34315871	ThyX reconstituted with N5-carbinolamine flavin	2021-02-02	2021-07-21	Bou-Nader, C.,Stull, F.W.,Pecqueur, L.,Simon, P.,Guerineau, V.,Royant, A.,Fontecave, M.,Lombard, M.,Palfey, B.A.,Hamdane, D.	An enzymatic activation of formaldehyde for nucleotide methylation.	Nat Commun	2021	12	4542	4542	
6ZUQ	35793393	Crystal structure of the effector Ecp11-1 from Fulvia fulva	2020-07-23	2021-08-04	Lazar, N.,Mesarich, C.H.,Petit-Houdenot, Y.,Talbi, N.,Li de la Sierra-Gallay, I.,Zelie, E.,Blondeau, K.,Gracy, J.,Ollivier, B.,Blaise, F.,Rouxel, T.,Balesdent, M.H.,Idnurm, A.,van Tilbeurgh, H.,Fudal, I.	A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.	Plos Pathog.	2022	18	0	0	
6ZUS	35793393	Crystal structure of the effector Ecp11-1 from Fulvia fulva	2020-07-23	2021-08-04	Lazar, N.,Mesarich, C.H.,Petit-Houdenot, Y.,Talbi, N.,Li de la Sierra-Gallay, I.,Zelie, E.,Blondeau, K.,Gracy, J.,Ollivier, B.,Blaise, F.,Rouxel, T.,Balesdent, M.H.,Idnurm, A.,van Tilbeurgh, H.,Fudal, I.	A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.	Plos Pathog.	2022	18	0	0	
7BO6	33853023	VDR complex with LCA derivative	2021-01-24	2021-08-11	Gaikwad, S.,Gonzalez, C.M.,Vilarino, D.,Lasanta, G.,Villaverde, C.,Mourino, A.,Verlinden, L.,Verstuyf, A.,Peluso-Iltis, C.,Rochel, N.,Berkowska, K.,Marcinkowska, E.	Lithocholic acid-based design of noncalcemic vitamin D receptor agonists.	Bioorg.Chem.	2021	111	104878	104878	
6ZZA		Crystal structure of CbpB in complex with c-di-AMP	2020-08-04	2021-08-18	Mechaly, A.E.,Covaleda-Cortes, G.,Kaminski, P.A.	Crystal structure of CbpB in complex with c-di-AMP	To Be Published	0	0	0	0	
6ZZI	34819376	Crystal structure of the catalyic domain of Corynebacterium glutamicum acetyltransferase AceF (E2p).	2020-08-04	2021-08-18	Bruch, E.M.,Vilela, P.,Yang, L.,Boyko, A.,Lexa-Sapart, N.,Raynal, B.,Alzari, P.M.,Bellinzoni, M.	Actinobacteria challenge the paradigm: A unique protein architecture for a well-known, central metabolic complex.	Proc.Natl.Acad.Sci.USA	2021	118	0	0	
7AP7	33640796	Structure of the W64R amyloidogenic variant of human lysozyme	2020-10-16	2021-08-25	Vettore, N.,Moray, J.,Brans, A.,Herman, R.,Charlier, P.,Kumita, J.R.,Kerff, F.,Dobson, C.M.,Dumoulin, M.	Characterisation of the structural, dynamic and aggregation properties of the W64R amyloidogenic variant of human lysozyme.	Biophys.Chem.	2021	271	106563	106563	
7B39	34224173	Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist	2020-11-29	2021-09-01	Fraga, R.,Len, K.,Lutzing, R.,Laverny, G.,Loureiro, J.,Maestro, M.A.,Rochel, N.,Rodriguez-Borges, E.,Mourino, A.	Design, Synthesis, Evaluation and Structure of Allenic 1 alpha ,25-Dihydroxyvitamin D 3 Analogs with Locked Mobility at C-17.	Chemistry	2021	27	13384	13389	
7ODX	34354070	Cyanophage S-2L Succinoaminodeoxyadenylate synthetase (PurZ) bound to dGMP and dATP as an energy donor	2021-04-30	2021-09-01	Czernecki, D.,Bonhomme, F.,Kaminski, P.A.,Delarue, M.	Characterization of a triad of genes in cyanophage S-2L sufficient to replace adenine by 2-aminoadenine in bacterial DNA.	Nat Commun	2021	12	4710	4710	
7ODY	34354070	Cyanophage S-2L MazG-like pyrophosphohydrolase bound to dGDP and three catalytic Mn2+ ions per active site	2021-04-30	2021-09-01	Czernecki, D.,Bonhomme, F.,Kaminski, P.A.,Delarue, M.	Characterization of a triad of genes in cyanophage S-2L sufficient to replace adenine by 2-aminoadenine in bacterial DNA.	Nat Commun	2021	12	4710	4710	
7OXZ	34339974	VDR complex with a side-chain hydroxylated derivative of lithocholic acid	2021-06-23	2021-09-01	Gonzalez, C.M.,Gaikwad, S.,Lasanta, G.,Loureiro, J.,Nilsson, N.,Peluso-Iltis, C.,Rochel, N.,Mourino, A.	Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).	Bioorg.Chem.	2021	115	105202	105202	
7OY4	34339974	VDR complex of a side-chain hydroxylated derivatives of lithocholic acid	2021-06-23	2021-09-01	Gonzalez, C.M.,Gaikwad, S.,Lasanta, G.,Loureiro, J.,Nilsson, N.,Peluso-Iltis, C.,Rochel, N.,Mourino, A.	Design, synthesis and evaluation of side-chain hydroxylated derivatives of lithocholic acid as potent agonists of the vitamin D receptor (VDR).	Bioorg.Chem.	2021	115	105202	105202	
7AJ0	34593864	Crystal structure of PsFucS1 sulfatase from Pseudoalteromonas sp.	2020-09-28	2021-09-08	Mikkelsen, M.D.,Cao, H.T.T.,Roret, T.,Rhein-Knudsen, N.,Holck, J.,Tran, V.T.T.,Nguyen, T.T.,Tran, V.H.N.,Lezyk, M.J.,Muschiol, J.,Pham, T.D.,Czjzek, M.,Meyer, A.S.	A novel thermostable prokaryotic fucoidan active sulfatase PsFucS1 with an unusual quaternary hexameric structure.	Sci Rep	2021	11	19523	19523	
7ARP	36502283	Native L-2-haloacid dehalogenase from Zobellia galactanivorans	2020-10-26	2021-09-08	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.	2022	0	0	0	
7ASZ	36502283	L-2-haloacid dehalogenase H190A mutant from Zobellia galactanivorans	2020-10-28	2021-09-08	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.	2022	0	0	0	
7JVI	35110564	Crystal structure of a beta-helix domain retrieved from capybara gut metagenome	2020-08-21	2021-09-08	Cabral, L.,Persinoti, G.F.,Paixao, D.A.A.,Martins, M.P.,Morais, M.A.B.,Chinaglia, M.,Domingues, M.N.,Sforca, M.L.,Pirolla, R.A.S.,Generoso, W.C.,Santos, C.A.,Maciel, L.F.,Terrapon, N.,Lombard, V.,Henrissat, B.,Murakami, M.T.	Gut microbiome of the largest living rodent harbors unprecedented enzymatic systems to degrade plant polysaccharides.	Nat Commun	2022	13	629	629	
7P2H	34432924	Dimethylated fusion protein of RSL and mussel adhesion peptide (Mefp) in complex with cucurbit[7]uril, H3 sheet assembly	2021-07-06	2021-09-08	Ramberg, K.O.,Guagnini, F.,Engilberge, S.,Wronska, M.A.,Rennie, M.L.,Perez, J.,Crowley, P.B.	Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.	Chemistry	2021	27	14619	14627	
7P2I	34432924	Dimethylated fusion protein of RSL and nucleoporin peptide (Nup) in complex with cucurbit[7]uril, F432 cage assembly	2021-07-06	2021-09-08	Ramberg, K.O.,Guagnini, F.,Engilberge, S.,Wronska, M.A.,Rennie, M.L.,Perez, J.,Crowley, P.B.	Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.	Chemistry	2021	27	14619	14627	
7P2J	34432924	Dimethylated fusion protein of RSL and trimeric coiled coil (4dzn) in complex with cucurbit[7]uril, H3 sheet assembly	2021-07-06	2021-09-08	Ramberg, K.O.,Guagnini, F.,Engilberge, S.,Wronska, M.A.,Rennie, M.L.,Perez, J.,Crowley, P.B.	Segregated Protein-Cucurbit[7]uril Crystalline Architectures via Modulatory Peptide Tectons.	Chemistry	2021	27	14619	14627	
7OLV	34478292	MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group	2021-05-20	2021-09-15	McCoull, W.,Boyd, S.,Brown, M.R.,Coen, M.,Collingwood, O.,Davies, N.L.,Doherty, A.,Fairley, G.,Goldberg, K.,Hardaker, E.,He, G.,Hennessy, E.J.,Hopcroft, P.,Hodgson, G.,Jackson, A.,Jiang, X.,Karmokar, A.,Laine, A.L.,Lindsay, N.,Mao, Y.,Markandu, R.,McMurray, L.,McLean, N.,Mooney, L.,Musgrove, H.,Nissink, J.W.M.,Pflug, A.,Reddy, V.P.,Rawlins, P.B.,Rivers, E.,Schimpl, M.,Smith, G.F.,Tentarelli, S.,Travers, J.,Troup, R.I.,Walton, J.,Wang, C.,Wilkinson, S.,Williamson, B.,Winter-Holt, J.,Yang, D.,Zheng, Y.,Zhu, Q.,Smith, P.D.	Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.	J.Med.Chem.	2021	64	13524	13539	
7BLY	34478709	Structure of the chitin deacetylase AngCDA from Aspergillus niger	2021-01-19	2021-09-22	Bonin, M.,Hameleers, L.,Hembach, L.,Roret, T.,Cord-Landwehr, S.,Michel, G.,Moerschbacher, B.M.	In silico and in vitro analysis of an Aspergillus niger chitin deacetylase to decipher its subsite sugar preferences.	J.Biol.Chem.	2021	297	101129	101129	
7P4Q	34609124	Structure of the quinolinate synthase S124A variant complexed with citrate	2021-07-12	2021-09-29	Basbous, H.,Volbeda, A.,Amara, P.,Rohac, R.,Martin, L.,Ollagnier de Choudens, S.,Fontecilla-Camps, J.C.	Transient Formation of a Second Active Site Cavity during Quinolinic Acid Synthesis by NadA.	Acs Chem.Biol.	2021	16	2423	2433	
7A5A	34793197	Crimean-Congo Hemorrhagic Fever Virus Envelope Glycoprotein Gc W1191H/W1197A/W1199A Mutant in Postfusion Conformation (Monoclinic Crystal Form)	2020-08-20	2021-10-06	Mishra, A.K.,Hellert, J.,Freitas, N.,Guardado-Calvo, P.,Haouz, A.,Fels, J.M.,Maurer, D.P.,Abelson, D.M.,Bornholdt, Z.A.,Walker, L.M.,Chandran, K.,Cosset, F.L.,McLellan, J.S.,Rey, F.A.	Structural basis of synergistic neutralization of Crimean-Congo hemorrhagic fever virus by human antibodies.	Science	2022	375	104	109	
7AD5	35793393	Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans	2020-09-14	2021-10-06	Lazar, N.,Mesarich, C.H.,Petit-Houdenot, Y.,Talbi, N.,Li de la Sierra-Gallay, I.,Zelie, E.,Blondeau, K.,Gracy, J.,Ollivier, B.,Blaise, F.,Rouxel, T.,Balesdent, M.H.,Idnurm, A.,van Tilbeurgh, H.,Fudal, I.	A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins.	Plos Pathog.	2022	18	0	0	
7AJ6		LN02 Fab	2020-09-28	2021-10-06	Caillat, C.,Fenwick, G.,Pantaleo, G.,Weissenhorn, W.	LN02 Fab	To Be Published	0	0	0	0	
7B22	34196617	Vibrio cholerae ParD2 Antitoxin	2020-11-25	2021-10-06	Garcia-Rodriguez, G.,Girardin, Y.,Volkov, A.N.,Singh, R.K.,Muruganandam, G.,Van Dyck, J.,Sobott, F.,Versees, W.,Charlier, D.,Loris, R.	Entropic pressure controls the oligomerization of the Vibrio cholerae ParD2 antitoxin.	Acta Crystallogr D Struct Biol	2021	77	904	920	
7P51	34570415	CRYSTAL STRUCTURE OF THE SARS-COV-2 MAIN PROTEASE COMPLEXED WITH FRAGMENT F01	2021-07-13	2021-10-06	Cantrelle, F.X.,Boll, E.,Brier, L.,Moschidi, D.,Belouzard, S.,Landry, V.,Leroux, F.,Dewitte, F.,Landrieu, I.,Dubuisson, J.,Deprez, B.,Charton, J.,Hanoulle, X.	NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment.	Angew.Chem.Int.Ed.Engl.	2021	60	25428	25435	
7MXB	34607462	Crystal structure of the S/T protein kinase PknG from Corynebacterium glutamicum in complex with AMP-PNP	2021-05-18	2021-10-13	Lisa, M.N.,Sogues, A.,Barilone, N.,Baumgart, M.,Gil, M.,Grana, M.,Duran, R.,Biondi, R.M.,Bellinzoni, M.,Bott, M.,Alzari, P.M.	A Tetratricopeptide Repeat Scaffold Couples Signal Detection to OdhI Phosphorylation in Metabolic Control by the Protein Kinase PknG.	Mbio	2021	12	0	0	
7P53	34537240	Crystal Structure of Human gamma-D-crystallin mutant C110M at 1.57 Angstroms resolution	2021-07-14	2021-10-13	Strofaldi, A.,Khan, A.R.,McManus, J.J.	Surface Exposed Free Cysteine Suppresses Crystallization of Human gamma D-Crystallin.	J.Mol.Biol.	2021	433	167252	167252	
7BBT	34054353	Structure of cytochrome c in complex with a p-benzyl-sulfonato-calix[8]arene-PEG pseudorotaxane	2020-12-18	2021-10-20	Mockler, N.M.,Ramberg, K.O.,Guagnini, F.,Raston, C.L.,Crowley, P.B.	Noncovalent Protein-Pseudorotaxane Assembly Incorporating an Extended Arm Calix[8]arene with alpha-Helical Recognition Properties.	Cryst.Growth Des.	2021	21	1424	1427	
7NWZ	34646012	ALK:ALKAL2 complex	2021-03-17	2021-10-27	De Munck, S.,Provost, M.,Kurikawa, M.,Omori, I.,Mukohyama, J.,Felix, J.,Bloch, Y.,Abdel-Wahab, O.,Bazan, J.F.,Yoshimi, A.,Savvides, S.N.	Structural basis of cytokine-mediated activation of ALK family receptors.	Nature	2021	600	143	147	
7NX0	34646012	LTK:ALKAL1 complex stabilized by a Nanobody	2021-03-17	2021-10-27	De Munck, S.,Provost, M.,Kurikawa, M.,Omori, I.,Mukohyama, J.,Felix, J.,Bloch, Y.,Abdel-Wahab, O.,Bazan, J.F.,Yoshimi, A.,Savvides, S.N.	Structural basis of cytokine-mediated activation of ALK family receptors.	Nature	2021	600	143	147	
7PLE	35624766	ArsH of Paracoccus denitrificans	2021-08-30	2021-10-27	Sedlacek, V.,Kryl, M.,Kucera, I.	The ArsH Protein Product of the Paracoccus denitrificans ars Operon Has an Activity of Organoarsenic Reductase and Is Regulated by a Redox-Responsive Repressor.	Antioxidants	2022	11	0	0	
7PUR		mouse Interleukin-12 subunit beta - p80 homodimer in space group P21 crystal form 2	2021-09-30	2021-11-10	Bloch, Y.,Savvides, S.N.	Around she goes: the structure of mouse Interleukin-12 p80	To Be Published	0	0	0	0	
6Z01	35013228	DNA Topoisomerase	2020-05-07	2021-11-17	Takahashi, D.T.,Gadelle, D.,Agama, K.,Kiselev, E.,Zhang, H.,Yab, E.,Petrella, S.,Forterre, P.,Pommier, Y.,Mayer, C.	Topoisomerase I (TOP1) dynamics: conformational transition from open to closed states.	Nat Commun	2022	13	59	59	
7PBK	34751404	Vibriophage phiVC8 family A DNA polymerase (DpoZ), two conformations: thumb-exo open and thumb-exo closed	2021-08-02	2021-11-17	Czernecki, D.,Hu, H.,Romoli, F.,Delarue, M.	Structural dynamics and determinants of 2-aminoadenine specificity in DNA polymerase DpoZ of vibriophage phi VC8.	Nucleic Acids Res.	2021	49	11974	11985	
7A3T	34852239	Crystal structure of dengue 3 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8	2020-08-18	2021-12-08	Sharma, A.,Zhang, X.,Dejnirattisai, W.,Dai, X.,Gong, D.,Wongwiwat, W.,Duquerroy, S.,Rouvinski, A.,Vaney, M.C.,Guardado-Calvo, P.,Haouz, A.,England, P.,Sun, R.,Zhou, Z.H.,Mongkolsapaya, J.,Screaton, G.R.,Rey, F.A.	The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses.	Cell	2021	184	6052	0	
7B2N	35680033	Crystal structure of Chlamydomonas reinhardtii chloroplastic Fructose bisphosphate aldolase	2020-11-27	2021-12-08	Le Moigne, T.,Sarti, E.,Nourisson, A.,Zaffagnini, M.,Carbone, A.,Lemaire, S.D.,Henri, J.	Crystal structure of chloroplast fructose-1,6-bisphosphate aldolase from the green alga Chlamydomonas reinhardtii.	J.Struct.Biol.	2022	214	107873	107873	
7B2O		Crystal structure of Chlamydomonas reinhardtii chloroplastic sedoheptulose-1,7-bisphosphatase	2020-11-27	2021-12-08	Le Moigne, T.,Lemaire, S.D.,Henri, J.	Crystal structure of Chlamydomonas reinhardtii chloroplastic sedoheptulose-1,7-bisphosphatas	To Be Published	0	0	0	0	
7OT6	34425311	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND inhibitor RMC-282	2021-06-09	2021-12-08	Gu, W.,Martinez, S.,Singh, A.K.,Nguyen, H.,Rozenski, J.,Schols, D.,Herdewijn, P.,Das, K.,De Jonghe, S.	Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.	Eur.J.Med.Chem.	2021	225	113785	113785	
7OTK	34425311	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-233	2021-06-10	2021-12-08	Gu, W.,Martinez, S.,Singh, A.K.,Nguyen, H.,Rozenski, J.,Schols, D.,Herdewijn, P.,Das, K.,De Jonghe, S.	Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.	Eur.J.Med.Chem.	2021	225	113785	113785	
7OTN	34425311	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247	2021-06-10	2021-12-08	Gu, W.,Martinez, S.,Singh, A.K.,Nguyen, H.,Rozenski, J.,Schols, D.,Herdewijn, P.,Das, K.,De Jonghe, S.	Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.	Eur.J.Med.Chem.	2021	225	113785	113785	
7OTX	34425311	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-257	2021-06-10	2021-12-08	Gu, W.,Martinez, S.,Singh, A.K.,Nguyen, H.,Rozenski, J.,Schols, D.,Herdewijn, P.,Das, K.,De Jonghe, S.	Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.	Eur.J.Med.Chem.	2021	225	113785	113785	
7OTZ	34425311	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-259	2021-06-10	2021-12-08	Gu, W.,Martinez, S.,Singh, A.K.,Nguyen, H.,Rozenski, J.,Schols, D.,Herdewijn, P.,Das, K.,De Jonghe, S.	Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.	Eur.J.Med.Chem.	2021	225	113785	113785	
7OUT	34425311	HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-264	2021-06-13	2021-12-08	Gu, W.,Martinez, S.,Singh, A.K.,Nguyen, H.,Rozenski, J.,Schols, D.,Herdewijn, P.,Das, K.,De Jonghe, S.	Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.	Eur.J.Med.Chem.	2021	225	113785	113785	
7Q1C	34936867	Crystal structure of Trypanosoma cruzi histone deacetylase DAC2 complexed with a hydroxamate inhibitor	2021-10-18	2021-12-15	Marek, M.,Ramos-Morales, E.,Picchi-Constante, G.F.A.,Bayer, T.,Norstrom, C.,Herp, D.,Sales-Junior, P.A.,Guerra-Slompo, E.P.,Hausmann, K.,Chakrabarti, A.,Shaik, T.B.,Merz, A.,Troesch, E.,Schmidtkunz, K.,Goldenberg, S.,Pierce, R.J.,Mourao, M.M.,Jung, M.,Schultz, J.,Sippl, W.,Zanchin, N.I.T.,Romier, C.	Species-selective targeting of pathogens revealed by the atypical structure and active site of Trypanosoma cruzi histone deacetylase DAC2.	Cell Rep	2021	37	110129	110129	
7L59	34818032	Crystal structure of the dark-adapted full-length bacteriophytochrome XccBphP-G454E variant from Xanthomonas campestris in the Pfr state	2020-12-21	2021-12-29	Otero, L.H.,Foscaldi, S.,Antelo, G.T.,Rosano, G.L.,Sirigu, S.,Klinke, S.,Defelipe, L.A.,Sanchez-Lamas, M.,Battocchio, G.,Conforte, V.,Vojnov, A.A.,Chavas, L.M.G.,Goldbaum, F.A.,Mroginski, M.A.,Rinaldi, J.,Bonomi, H.R.	Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.	Sci Adv	2021	7	0	0	
7L5A	34818032	Crystal structure of the photosensory module from Xanthomonas campestris bacteriophytochrome XccBphP in the Pfr state	2020-12-21	2021-12-29	Otero, L.H.,Foscaldi, S.,Antelo, G.T.,Rosano, G.L.,Sirigu, S.,Klinke, S.,Defelipe, L.A.,Sanchez-Lamas, M.,Battocchio, G.,Conforte, V.,Vojnov, A.A.,Chavas, L.M.G.,Goldbaum, F.A.,Mroginski, M.A.,Rinaldi, J.,Bonomi, H.R.	Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.	Sci Adv	2021	7	0	0	
7NGE	34949925	Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the closed conformation	2021-02-09	2021-12-29	Mirgaux, M.,Leherte, L.,Wouters, J.	Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.	Int J Tryptophan Res	2021	14	2147483647	2147483647	
7OUK	35013254	BDM88855 inhibitor bound to the transmembrane domain of AcrB	2021-06-12	2021-12-29	Ple, C.,Tam, H.K.,Vieira Da Cruz, A.,Compagne, N.,Jimenez-Castellanos, J.C.,Muller, R.T.,Pradel, E.,Foong, W.E.,Malloci, G.,Ballee, A.,Kirchner, M.A.,Moshfegh, P.,Herledan, A.,Herrmann, A.,Deprez, B.,Willand, N.,Vargiu, A.V.,Pos, K.M.,Flipo, M.,Hartkoorn, R.C.	Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.	Nat Commun	2022	13	115	115	
7OUL	35013254	BDM88832 inhibitor bound to the transmembrane domain of AcrB-R971A	2021-06-12	2021-12-29	Ple, C.,Tam, H.K.,Vieira Da Cruz, A.,Compagne, N.,Jimenez-Castellanos, J.C.,Muller, R.T.,Pradel, E.,Foong, W.E.,Malloci, G.,Ballee, A.,Kirchner, M.A.,Moshfegh, P.,Herledan, A.,Herrmann, A.,Deprez, B.,Willand, N.,Vargiu, A.V.,Pos, K.M.,Flipo, M.,Hartkoorn, R.C.	Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.	Nat Commun	2022	13	115	115	
7OUM	35013254	BDM88855 inhibitor bound to the transmembrane domain of AcrB-R971A	2021-06-12	2021-12-29	Ple, C.,Tam, H.K.,Vieira Da Cruz, A.,Compagne, N.,Jimenez-Castellanos, J.C.,Muller, R.T.,Pradel, E.,Foong, W.E.,Malloci, G.,Ballee, A.,Kirchner, M.A.,Moshfegh, P.,Herledan, A.,Herrmann, A.,Deprez, B.,Willand, N.,Vargiu, A.V.,Pos, K.M.,Flipo, M.,Hartkoorn, R.C.	Pyridylpiperazine-based allosteric inhibitors of RND-type multidrug efflux pumps.	Nat Commun	2022	13	115	115	
7P0N	34949925	Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the open conformation	2021-06-30	2021-12-29	Mirgaux, M.,Leherte, L.,Wouters, J.	Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.	Int J Tryptophan Res	2021	14	2147483647	2147483647	
7P0R	34949925	Crystal structure of L-Trp/Indoleamine 2,3-dioxygenase (hIDO1) complex with the JK-loop refined in the intermediate conformation	2021-06-30	2021-12-29	Mirgaux, M.,Leherte, L.,Wouters, J.	Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.	Int J Tryptophan Res	2021	14	2147483647	2147483647	
7F8A	35007529	Crystal structure of rRNA methyltransferase Erm38	2021-07-01	2022-01-12	Goh, B.C.,Xiang, X.,Lescar, J.,Dedon, P.C.	Crystal structure and functional analysis of mycobacterial erythromycin resistance methyltransferase Erm38 reveals its RNA-binding site.	J.Biol.Chem.	2022	298	101571	101571	
7F8B	35007529	Crystal structure of rRNA methyltransferase Erm38 in complex with SAM	2021-07-01	2022-01-12	Goh, B.C.,Xiang, X.,Lescar, J.,Dedon, P.C.	Crystal structure and functional analysis of mycobacterial erythromycin resistance methyltransferase Erm38 reveals its RNA-binding site.	J.Biol.Chem.	2022	298	101571	101571	
7F8C	35007529	Crystal structure of rRNA methyltransferase Erm38 in complex with sinefungin	2021-07-01	2022-01-12	Goh, B.C.,Xiang, X.,Lescar, J.,Dedon, P.C.	Crystal structure and functional analysis of mycobacterial erythromycin resistance methyltransferase Erm38 reveals its RNA-binding site.	J.Biol.Chem.	2022	298	101571	101571	
7BO3	35299116	Human Butyrylcholinesterase in complex with N-(2-(1H-Indol-3-yl)ethyl)-2-cycloheptyl-N-methylethan-1-amine	2021-01-23	2022-03-02	Meden, A.,Knez, D.,Brazzolotto, X.,Nachon, F.,Dias, J.,Svete, J.,Stojan, J.,Groselj, U.,Gobec, S.	From tryptophan-based amides to tertiary amines: Optimization of a butyrylcholinesterase inhibitor series.	Eur.J.Med.Chem.	2022	234	114248	114248	
7NLC		Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide	2021-02-22	2022-03-02	Moschidi, D.,Dupre, E.,Villeret, V.,Hanoulle, X.	Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide	To Be Published	0	0	0	0	
7P6H	35234142	Crystal structure of the endoglucanase RBcel1 E135Q in complex with cellotriose	2021-07-16	2022-03-02	Collet, L.,Vander Wauven, C.,Oudjama, Y.,Galleni, M.,Dutoit, R.	Highlighting the factors governing transglycosylation in the GH5_5 endo-1,4-beta-glucanase RBcel1.	Acta Crystallogr D Struct Biol	2022	78	278	289	
7P6I	35234142	Crystal structure of the endoglucanase RBcel1 Y201F	2021-07-16	2022-03-02	Collet, L.,Vander Wauven, C.,Oudjama, Y.,Galleni, M.,Dutoit, R.	Highlighting the factors governing transglycosylation in the GH5_5 endo-1,4-beta-glucanase RBcel1.	Acta Crystallogr D Struct Biol	2022	78	278	289	
7P6J	35234142	Crystal structure of glycosyl-enzyme intermediate of RBcel1 Y201F	2021-07-16	2022-03-02	Collet, L.,Vander Wauven, C.,Oudjama, Y.,Galleni, M.,Dutoit, R.	Highlighting the factors governing transglycosylation in the GH5_5 endo-1,4-beta-glucanase RBcel1.	Acta Crystallogr D Struct Biol	2022	78	278	289	
7PR2	35529063	Cocrystal of cytochrome c and sulfonato-thiacalix[4]arene	2021-09-20	2022-03-02	Flood, R.J.,Ramberg, K.O.,Mengel, D.B.,Guagnini, F.,Crowley, P.B.	Protein Frameworks with Thiacalixarene and Zinc.	Cryst.Growth Des.	2022	22	3271	3276	
7PR3	35529063	Cocrystal Form I of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster	2021-09-20	2022-03-02	Flood, R.J.,Ramberg, K.O.,Mengel, D.B.,Guagnini, F.,Crowley, P.B.	Protein Frameworks with Thiacalixarene and Zinc.	Cryst.Growth Des.	2022	22	3271	3276	
7PR4	35529063	Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster	2021-09-20	2022-03-02	Flood, R.J.,Ramberg, K.O.,Mengel, D.B.,Guagnini, F.,Crowley, P.B.	Protein Frameworks with Thiacalixarene and Zinc.	Cryst.Growth Des.	2022	22	3271	3276	
7PR5	35529063	Cocrystal of an RSL-N23H and sulfonato-thiacalix[4]arene - zinc complex	2021-09-20	2022-03-02	Flood, R.J.,Ramberg, K.O.,Mengel, D.B.,Guagnini, F.,Crowley, P.B.	Protein Frameworks with Thiacalixarene and Zinc.	Cryst.Growth Des.	2022	22	3271	3276	
7LRH		C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase)	2021-02-16	2022-03-16	Bonomi, H.R.,Cerutti, M.L.,Posadas, D.M.,Goldbaum, F.A.,Klinke, S.	C-terminal domain of RibD from Brucella abortus (5-amino-6-ribosylamino-2,4(1H,3H)-pyrimidinedione 5'-phosphate reductase)	To be published	0	0	0	0	
7PU5	35245601	Structure of SFPQ-NONO complex	2021-09-28	2022-03-16	Schell, B.,Legrand, P.,Fribourg, S.	Crystal structure of SFPQ-NONO heterodimer.	Biochimie	2022	198	1	7	
7A66		structure of Pcc2 from Pyrococcus abyssi	2020-08-25	2022-03-23	Missoury, S.,Tilbeurgh, V.H.	Structure of Pcc2 at 1.84 Angstroms resolution	To Be Published	0	0	0	0	
7A67		Pcc1Pcc2 complex	2020-08-25	2022-03-23	Missoury, S.,Tilbeurgh, V.H.	Pcc1Pcc2 structure	To Be Published	0	0	0	0	
7QHY	35362474	Structure of a Kluyveromyces lactis protein involved in RNA decay	2021-12-14	2022-03-23	Barbarin-Bocahu, I.,Graille, M.	The X-ray crystallography phase problem solved thanks to AlphaFold and RoseTTAFold models: a case-study report.	Acta Crystallogr D Struct Biol	2022	78	517	531	
7P0H	35414142	Crystal structure of Helicobacter pylori ComF fused to an artificial alphaREP crystallization helper(named B2)	2021-06-29	2022-04-06	Damke, P.P.,Celma, L.,Kondekar, S.M.,Di Guilmi, A.M.,Marsin, S.,Depagne, J.,Veaute, X.,Legrand, P.,Walbott, H.,Vercruyssen, J.,Guerois, R.,Quevillon-Cheruel, S.,Radicella, J.P.	ComFC mediates transport and handling of single-stranded DNA during natural transformation.	Nat Commun	2022	13	1961	1961	
7PU8	35482954	CARM1 in complex with EML980	2021-09-28	2022-04-06	Iannelli, G.,Milite, C.,Marechal, N.,Cura, V.,Bonnefond, L.,Troffer-Charlier, N.,Feoli, A.,Rescigno, D.,Wang, Y.,Cipriano, A.,Viviano, M.,Bedford, M.T.,Cavarelli, J.,Castellano, S.,Sbardella, G.	Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.	J.Med.Chem.	2022	65	11574	11606	
7PUC	35482954	CARM1 in complex with EML981	2021-09-29	2022-04-06	Iannelli, G.,Milite, C.,Marechal, N.,Cura, V.,Bonnefond, L.,Troffer-Charlier, N.,Feoli, A.,Rescigno, D.,Wang, Y.,Cipriano, A.,Viviano, M.,Bedford, M.T.,Cavarelli, J.,Castellano, S.,Sbardella, G.	Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.	J.Med.Chem.	2022	65	11574	11606	
7PUQ	35482954	CARM1 in complex with EML982	2021-09-30	2022-04-06	Iannelli, G.,Milite, C.,Marechal, N.,Cura, V.,Bonnefond, L.,Troffer-Charlier, N.,Feoli, A.,Rescigno, D.,Wang, Y.,Cipriano, A.,Viviano, M.,Bedford, M.T.,Cavarelli, J.,Castellano, S.,Sbardella, G.	Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.	J.Med.Chem.	2022	65	11574	11606	
7Z4V	36030002	Structure of Serine-Threonine kinase STK25 in complex with compound	2022-03-04	2022-04-06	Kiyeleko, S.,Hocine, S.,Mautino, G.,Kuenemann, M.,Nawrotek, A.,Miallau, L.,Vuillard, L.M.,Mirguet, O.,Kotschy, A.,Hanessian, S.	Targeting non-alcoholic fatty liver disease: Design, X-ray co-crystal structure and synthesis of 'first-in-kind' inhibitors of serine/threonine kinase25.	Bioorg.Med.Chem.Lett.	2022	75	128950	128950	
7AKK		Structure of a complement factor-receptor complex	2020-10-01	2022-04-13	Fernandez, F.J.,Santos-Lopez, J.,Martinez-Barricarte, R.,Querol-Garcia, J.,Martin-Merinero, H.,Navas-Yuste, S.,Savko, M.,Shepard, W.E.,Rodriguez de Cordoba, S.,Vega, M.C.	The crystal structure of iC3b-CR3 alpha I reveals a modular recognition of the main opsonin iC3b by the CR3 integrin receptor	Nat Commun	2022	13	1955	0	
7Q1E	35507869	CPAP:TUBULIN:IIH5 ALPHAREP COMPLEX	2021-10-19	2022-04-13	Campanacci, V.,Urvoas, A.,Ammar Khodja, L.,Aumont-Nicaise, M.,Noiray, M.,Lachkar, S.,Curmi, P.A.,Minard, P.,Gigant, B.	Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors.	Proc.Natl.Acad.Sci.USA	2022	119	0	0	
7OCN	35363566	Crystal structure of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii	2021-04-28	2022-04-20	Tam, H.K.,Konig, P.,Himpich, S.,Ngu, N.D.,Abele, R.,Muller, V.,Pos, K.M.	Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.	Proc.Natl.Acad.Sci.USA	2022	119	0	0	
7OCP	35363566	NADPH bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii	2021-04-28	2022-04-20	Tam, H.K.,Konig, P.,Himpich, S.,Ngu, N.D.,Abele, R.,Muller, V.,Pos, K.M.	Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.	Proc.Natl.Acad.Sci.USA	2022	119	0	0	
7OCQ	35363566	NADH bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii	2021-04-28	2022-04-20	Tam, H.K.,Konig, P.,Himpich, S.,Ngu, N.D.,Abele, R.,Muller, V.,Pos, K.M.	Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.	Proc.Natl.Acad.Sci.USA	2022	119	0	0	
7OCR	35363566	NADPH and fructose-6-phosphate bound to the dehydrogenase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD from Acinetobacter baumannii	2021-04-28	2022-04-20	Tam, H.K.,Konig, P.,Himpich, S.,Ngu, N.D.,Abele, R.,Muller, V.,Pos, K.M.	Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.	Proc.Natl.Acad.Sci.USA	2022	119	0	0	
7QCS	35283834	PALS1/MPP5 PDZ domain in complex with SARS-CoV-2_E PBM peptide	2021-11-25	2022-04-20	Zhu, Y.,Alvarez, F.,Wolff, N.,Mechaly, A.,Brule, S.,Neitthoffer, B.,Etienne-Manneville, S.,Haouz, A.,Boeda, B.,Caillet-Saguy, C.	Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins.	Front Microbiol	2022	13	829094	829094	
7OCS	35363566	Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-D16A from Acinetobacter baumannii	2021-04-28	2022-04-27	Tam, H.K.,Konig, P.,Himpich, S.,Ngu, N.D.,Abele, R.,Muller, V.,Pos, K.M.	Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.	Proc.Natl.Acad.Sci.USA	2022	119	0	0	
7OCU	35363566	Mannitol-1-phosphate bound to the phosphatase domain of the bifunctional mannitol-1-phosphate dehydrogenase/phosphatase MtlD-N374A from Acinetobacter baumannii	2021-04-28	2022-04-27	Tam, H.K.,Konig, P.,Himpich, S.,Ngu, N.D.,Abele, R.,Muller, V.,Pos, K.M.	Unidirectional mannitol synthesis of Acinetobacter baumannii MtlD is facilitated by the helix-loop-helix-mediated dimer formation.	Proc.Natl.Acad.Sci.USA	2022	119	0	0	
7R5A	38181072	Vibrio cholera ParD2:ParE2 antitoxin:toxin complex	2022-02-10	2022-04-27	Garcia-Rodriguez, G.,Girardin, Y.,Kumar Singh, R.,Volkov, A.N.,Van Dyck, J.,Muruganandam, G.,Sobott, F.,Charlier, D.,Loris, R.	Toxin:antitoxin ratio sensing autoregulation of the Vibrio cholerae parDE2 module.	Sci Adv	2024	10	0	0	
7PD2	35477710	Crystal structure of the substrate-free radical SAM tyrosine lyase ThiH (2-iminoacetate synthase) from Thermosinus carboxydivorans	2021-08-04	2022-05-11	Amara, P.,Saragaglia, C.,Mouesca, J.M.,Martin, L.,Nicolet, Y.	L-tyrosine-bound ThiH structure reveals C-C bond break differences within radical SAM aromatic amino acid lyases.	Nat Commun	2022	13	2284	2284	
7QEZ	35704748	Crystal structure of the SARS-CoV-2 RBD in complex with the ultrapotent antibody CV2.1169 and CR3022	2021-12-03	2022-05-18	Planchais, C.,Fernandez, I.,Bruel, T.,de Melo, G.D.,Prot, M.,Beretta, M.,Guardado-Calvo, P.,Dufloo, J.,Molinos-Albert, L.M.,Backovic, M.,Chiaravalli, J.,Giraud, E.,Vesin, B.,Conquet, L.,Grzelak, L.,Planas, D.,Staropoli, I.,Guivel-Benhassine, F.,Hieu, T.,Boulle, M.,Cervantes-Gonzalez, M.,Ungeheuer, M.N.,Charneau, P.,van der Werf, S.,Agou, F.,Dimitrov, J.D.,Simon-Loriere, E.,Bourhy, H.,Montagutelli, X.,Rey, F.A.,Schwartz, O.,Mouquet, H.	Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.	J.Exp.Med.	2022	219	0	0	
7QF0	35704748	Crystal structure of the SARS-CoV-2 RBD in complex with the human antibody CV2.2325	2021-12-03	2022-05-18	Planchais, C.,Fernandez, I.,Bruel, T.,de Melo, G.D.,Prot, M.,Beretta, M.,Guardado-Calvo, P.,Dufloo, J.,Molinos-Albert, L.M.,Backovic, M.,Chiaravalli, J.,Giraud, E.,Vesin, B.,Conquet, L.,Grzelak, L.,Planas, D.,Staropoli, I.,Guivel-Benhassine, F.,Hieu, T.,Boulle, M.,Cervantes-Gonzalez, M.,Ungeheuer, M.N.,Charneau, P.,van der Werf, S.,Agou, F.,Dimitrov, J.D.,Simon-Loriere, E.,Bourhy, H.,Montagutelli, X.,Rey, F.A.,Schwartz, O.,Mouquet, H.	Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.	J.Exp.Med.	2022	219	0	0	
7QF1	35704748	Crystal structure of the SARS-CoV-2 RBD in complex with the human antibody CV2.6264	2021-12-03	2022-05-18	Planchais, C.,Fernandez, I.,Bruel, T.,de Melo, G.D.,Prot, M.,Beretta, M.,Guardado-Calvo, P.,Dufloo, J.,Molinos-Albert, L.M.,Backovic, M.,Chiaravalli, J.,Giraud, E.,Vesin, B.,Conquet, L.,Grzelak, L.,Planas, D.,Staropoli, I.,Guivel-Benhassine, F.,Hieu, T.,Boulle, M.,Cervantes-Gonzalez, M.,Ungeheuer, M.N.,Charneau, P.,van der Werf, S.,Agou, F.,Dimitrov, J.D.,Simon-Loriere, E.,Bourhy, H.,Montagutelli, X.,Rey, F.A.,Schwartz, O.,Mouquet, H.	Potent human broadly SARS-CoV-2-neutralizing IgA and IgG antibodies effective against Omicron BA.1 and BA.2.	J.Exp.Med.	2022	219	0	0	
7R4U	35527501	Apoform of FtrA/P19 from Rubrivivax gelatinosus	2022-02-09	2022-05-18	Steunou, A.S.,Vigouroux, A.,Aumont-Nicaise, M.,Plancqueel, S.,Boussac, A.,Ouchane, S.,Morera, S.	New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.	Febs J.	2022	289	6286	6307	
7R4Z	35527501	Strep-tag FtrA-P19 from Rubrivivax gelatinosus in complex with iron and copper	2022-02-09	2022-05-18	Steunou, A.S.,Vigouroux, A.,Aumont-Nicaise, M.,Plancqueel, S.,Boussac, A.,Ouchane, S.,Morera, S.	New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.	Febs J.	2022	289	6286	6307	
7R5E	35527501	FtrA-P19 from Rubrivivax gelatinosus in complex with copper and magnesium (X1)	2022-02-10	2022-05-18	Steunou, A.S.,Vigouroux, A.,Aumont-Nicaise, M.,Plancqueel, S.,Boussac, A.,Ouchane, S.,Morera, S.	New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.	Febs J.	2022	289	6286	6307	
7R5G	35527501	FtrA-P19 from Rubrivivax gelatinosus in complex with copper and magnesium (X2)	2022-02-10	2022-05-18	Steunou, A.S.,Vigouroux, A.,Aumont-Nicaise, M.,Plancqueel, S.,Boussac, A.,Ouchane, S.,Morera, S.	New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.	Febs J.	2022	289	6286	6307	
7R5P	35527501	Strep-tag FtrA-P19 from Rubrivivax gelatinosus in complex with copper and iron	2022-02-11	2022-05-18	Steunou, A.S.,Vigouroux, A.,Aumont-Nicaise, M.,Plancqueel, S.,Boussac, A.,Ouchane, S.,Morera, S.	New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens.	Febs J.	2022	289	6286	6307	
7Z60		Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside	2022-03-10	2022-05-18	Ciccone, L.,Tonali, N.,Fruchart-Gaillard, C.,Barlettani, L.,Rossello, A.,Braca, A.,Orlandini, E.,Nencetti, S.	Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization	Crystals	2022	12	0	0	
7OHG		Structure of Thermus thermophilus Rel bound to the non-hydrolasable alarmone analogue	2021-05-11	2022-06-01	Garcia-Pino, A.	Structure of Thermus thermophilus Rel bound to the non-hydrolasable alarmone analogue	To Be Published	0	0	0	0	
7OIW		Structure of S. aureus Rel catalytic domains in complex with pppGpp	2021-05-12	2022-06-01	Garcia-Pino, A.	Structure of S. aureus Rel catalytic domains in complex with pppGpp	To Be Published	0	0	0	0	
7OLN		Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with Lewis y antigen	2021-05-20	2022-06-01	Bermeo, R.,Varrot, A.	Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with Lewis y antigen	To Be Published	0	0	0	0	
7OLU	36174276	Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-C-fucoside ligand	2021-05-20	2022-06-01	Bermeo, R.,Lal, K.,Ruggeri, D.,Lanaro, D.,Mazzotta, S.,Vasile, F.,Imberty, A.,Belvisi, L.,Varrot, A.,Bernardi, A.	Targeting a Multidrug-Resistant Pathogen: First Generation Antagonists of Burkholderia cenocepacia 's BC2L-C Lectin.	Acs Chem.Biol.	2022	17	2899	2910	
7P8Q	35580049	Structure of E.coli RlmJ in complex with an RNA conjugate (GA-SAM)	2021-07-23	2022-06-01	Meynier, V.,Iannazzo, L.,Catala, M.,Oerum, S.,Braud, E.,Atdjian, C.,Barraud, P.,Fonvielle, M.,Tisne, C.,Etheve-Quelquejeu, M.	Synthesis of RNA-cofactor conjugates and structural exploration of RNA recognition by an m6A RNA methyltransferase.	Nucleic Acids Res.	2022	50	5793	5806	
7P9I	35580049	Structure of E.coli RlmJ in complex with an RNA conjugate (GAA-SAM)	2021-07-27	2022-06-01	Meynier, V.,Iannazzo, L.,Catala, M.,Oerum, S.,Braud, E.,Atdjian, C.,Barraud, P.,Fonvielle, M.,Tisne, C.,Etheve-Quelquejeu, M.	Synthesis of RNA-cofactor conjugates and structural exploration of RNA recognition by an m6A RNA methyltransferase.	Nucleic Acids Res.	2022	50	5793	5806	
7FJH	36697615	LecA from Pseudomonas aeruginosa in complex with 4-Phenylbutyryl hydroxamic acid (CAS: 32153-46-1)	2021-08-04	2022-06-08	Shanina, E.,Kuhaudomlarp, S.,Siebs, E.,Fuchsberger, F.F.,Denis, M.,da Silva Figueiredo Celestino Gomes, P.,Clausen, M.H.,Seeberger, P.H.,Rognan, D.,Titz, A.,Imberty, A.,Rademacher, C.	Targeting undruggable carbohydrate recognition sites through focused fragment library design.	Commun Chem	2022	5	64	64	
7OUE	36300625	Crystal structure of a trapped Pab-AGOG/single-standed DNA covalent intermediate	2021-06-11	2022-06-22	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	
7YZN	35694843	Structure of C-terminally truncated aIF5B from Pyrococcus abyssi complexed with GTP	2022-02-21	2022-06-29	Kazan, R.,Bourgeois, G.,Lazennec-Schurdevin, C.,Larquet, E.,Mechulam, Y.,Coureux, P.D.,Schmitt, E.	Role of aIF5B in archaeal translation initiation.	Nucleic Acids Res.	2022	50	6532	6548	
7F9C	36854028	Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96	2021-07-04	2022-07-06	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	
7QZ2	35767996	Crystal structure of GacS D1 domain in complex with BeF3-	2022-01-30	2022-07-06	Fadel, F.,Bassim, V.,Francis, V.I.,Porter, S.L.,Botzanowski, T.,Legrand, P.,Perez, M.M.,Bourne, Y.,Cianferani, S.,Vincent, F.	Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS.	Structure	2022	30	1285	0	
7QZO	35767996	Crystal structure of GacS D1 domain	2022-01-31	2022-07-06	Fadel, F.,Bassim, V.,Francis, V.I.,Porter, S.L.,Botzanowski, T.,Legrand, P.,Perez, M.M.,Bourne, Y.,Cianferani, S.,Vincent, F.	Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS.	Structure	2022	30	1285	0	
7BBV	36639075	Pectate lyase B from Verticillium dahliae	2020-12-18	2022-07-13	Safran, J.,Ung, V.,Bouckaert, J.,Habrylo, O.,Molinie, R.,Fontaine, J.X.,Lemaire, A.,Voxeur, A.,Pilard, S.,Pau-Roblot, C.,Mercadante, D.,Pelloux, J.,Senechal, F.	The specificity of pectate lyase VdPelB from Verticilium dahliae is highlighted by structural, dynamical and biochemical characterizations.	Int.J.Biol.Macromol.	2023	231	123137	123137	
7OXU		VDR complex - calcitroic acid	2021-06-23	2022-07-13	Arnold, L.A.	VDR complex - calcitroic acid	To Be Published	0	0	0	0	
7P2Z	35917590	Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4	2021-07-06	2022-07-13	Kok, K.,Kuo, C.L.,Katzy, R.E.,Lelieveld, L.T.,Wu, L.,Roig-Zamboni, V.,van der Marel, G.A.,Codee, J.D.C.,Sulzenbacher, G.,Davies, G.J.,Overkleeft, H.S.,Aerts, J.M.F.G.,Artola, M.	1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.	J.Am.Chem.Soc.	2022	144	14819	14827	
7P32	35917590	Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 6	2021-07-06	2022-07-13	Kok, K.,Kuo, C.L.,Katzy, R.E.,Lelieveld, L.T.,Wu, L.,Roig-Zamboni, V.,van der Marel, G.A.,Codee, J.D.C.,Sulzenbacher, G.,Davies, G.J.,Overkleeft, H.S.,Aerts, J.M.F.G.,Artola, M.	1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.	J.Am.Chem.Soc.	2022	144	14819	14827	
7PCJ		X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex	2021-08-03	2022-07-13	Fischer, L.,Savko, M.,Langlois d'Estaintot, B.,Buratto, J.,Vallade, M.,Huc, I.	X-ray structure of a cystein mutant of Cyclophilin A tethered to an aromatic oligoamide foldamer complexed with  Cyclosporin A	To Be Published	0	0	0	0	
7PCJ		X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex	2021-08-03	2022-07-13	Fischer, L.,Savko, M.,Langlois d'Estaintot, B.,Buratto, J.,Vallade, M.,Huc, I.	X-ray structure of a cystein mutant of Cyclophilin A tethered to an aromatic oligoamide foldamer complexed with  Cyclosporin A	To Be Published	0	0	0	0	
7PJJ	35913158	Structure of the Family-3 Glycosyl Hydrolase BcpE2 from Streptomyces scabies	2021-08-24	2022-07-13	Deflandre, B.,Jadot, C.,Planckaert, S.,Thiebaut, N.,Stulanovic, N.,Herman, R.,Devreese, B.,Kerff, F.,Rigali, S.	Structure and Function of BcpE2, the Most Promiscuous GH3-Family Glucose Scavenging Beta-Glucosidase.	Mbio	2022	13	0	0	
8A46	36866391	Crystal structure of the human Kelch domain of Keap1 in complex with compound S217879	2022-06-10	2022-07-13	Seedorf, K.,Weber, C.,Vinson, C.,Berger, S.,Vuillard, L.M.,Kiss, A.,Creusot, S.,Broux, O.,Geant, A.,Ilic, C.,Lemaitre, K.,Richard, J.,Hammoutene, A.,Mahieux, J.,Martiny, V.,Durand, D.,Melchiore, F.,Nyerges, M.,Paradis, V.,Provost, N.,Duvivier, V.,Delerive, P.	Selective disruption of NRF2-KEAP1 interaction leads to NASH resolution and reduction of liver fibrosis in mice.	JHEP Rep	2023	5	100651	100651	
8A5J		Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1	2022-06-15	2022-07-13	Weber, C.,Vuillard, L.,Delerive, P.,Miallau, L.	Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879	To Be Published	0	0	0	0	
7BHD	36944399	FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group	2021-01-11	2022-07-20	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	
7ZVP	36032685	Crystal structure of poplar glutathione transferase U19 in complex with glutathione	2022-05-16	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	
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	38656310	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.,Garlatti, L.,Mondielli, C.,Vincentelli, R.,Canard, B.,Reguera, J.,Ferron, F.,Alvarez, K.	Biophysical and structural study of La Crosse virus endonuclease inhibition for the development of new antiviral options.	Iucrj	2024	11	374	383	
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	39841841	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	Maffo-Woulefack, R.,Ali, A.M.,Laroussi, H.,Cappele, J.,Romero-Saavedra, F.,Ramia, N.,Robert, E.,Mathiot, S.,Soler, N.,Roussel, Y.,Fronzes, R.,Huebner, J.,Didierjean, C.,Favier, F.,Leblond-Bourget, N.,Douzi, B.	Elucidating assembly and function of VirB8 cell wall subunits refines the DNA translocation model in Gram-positive T4SSs.	Sci Adv	2025	11	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	37679597	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.M.,Haouz, A.,Ducret, A.,Grangeasse, C.,Alzari, P.M.,Duran, R.,Wehenkel, A.M.	Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation.	Nat Microbiol	2023	8	1896	1910	
8BVF	37679597	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.M.,Haouz, A.,Ducret, A.,Grangeasse, C.,Alzari, P.M.,Duran, R.,Wehenkel, A.M.	Eukaryotic-like gephyrin and cognate membrane receptor coordinate corynebacterial cell division and polar elongation.	Nat Microbiol	2023	8	1896	1910	
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.	2024	194	2263	2277	
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	38484799	VHH Z70 mutant 3 in interaction with PHF6 Tau peptide	2023-06-21	2023-07-05	Mortelecque, J.,Zejneli, O.,Begard, S.,Simoes, M.C.,ElHajjar, L.,Nguyen, M.,Cantrelle, F.X.,Hanoulle, X.,Rain, J.C.,Colin, M.,Gomes, C.M.,Buee, L.,Landrieu, I.,Danis, C.,Dupre, E.	A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the tau intrinsically disordered protein.	J.Biol.Chem.	2024	300	107163	107163	
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	39283899	Clostridium perfringens chitinase CP56_3454 apo form	2023-04-26	2023-07-12	Dierick, E.,Callens, C.,Bloch, Y.,Savvides, S.N.,Hark, S.,Pelzer, S.,Ducatelle, R.,Van Immerseel, F.,Goossens, E.	Clostridium perfringens chitinases, key enzymes during early stages of necrotic enteritis in broiler chickens.	Plos Pathog.	2024	20	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	38615411	crystal structure of VDR complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 57	2023-07-27	2023-08-30	Fabisiak, A.,Brzeminski, P.,Sicinski, R.R.,Rochel, N.,Maj, E.,Filip-Psurska, B.,Wietrzyk, J.,Plum, L.A.,DeLuca, H.F.	Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.	Eur.J.Med.Chem.	2024	271	116403	116403	
8PZ9	38615411	Crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 55	2023-07-27	2023-08-30	Fabisiak, A.,Brzeminski, P.,Sicinski, R.R.,Rochel, N.,Maj, E.,Filip-Psurska, B.,Wietrzyk, J.,Plum, L.A.,DeLuca, H.F.	Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.	Eur.J.Med.Chem.	2024	271	116403	116403	
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	38990013	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.,Penzotti, P.,Bethel, C.R.,Gutkind, G.,Bonomo, R.A.,Klinke, S.,Power, P.	Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution.	Antimicrob.Agents Chemother.	2024	68	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.,Mandl, T.C.,Catala, M.,Tisne, C.,Jantsch, M.F.,Barraud, P.	Dimerization of ADAR1 modulates site-specificity of RNA editing	Nat Commun	2024	15	10051	0	
7ZLQ		Crystal structure of ADAR1-dsRBD3 dimer in complex with dsRNA	2022-04-15	2023-10-25	Mboukou, A.,Rajendra, V.,Messmer, S.,Mandl, T.C.,Catala, M.,Tisne, C.,Jantsch, M.F.,Barraud, P.	Dimerization of ADAR1 modulates site-specificity of RNA editing	Nat Commun	2024	15	10051	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	37875118	Rac-binding domain of human MiniBAR	2022-12-01	2023-12-13	Serres, M.P.,Shaughnessy, R.,Escot, S.,Hammich, H.,Cuvelier, F.,Salles, A.,Rocancourt, M.,Verdon, Q.,Gaffuri, A.L.,Sourigues, Y.,Malherbe, G.,Velikovsky, L.,Chardon, F.,Sassoon, N.,Tinevez, J.Y.,Callebaut, I.,Formstecher, E.,Houdusse, A.,David, N.B.,Pylypenko, O.,Echard, A.	MiniBAR/GARRE1 is a dual Rac and Rab effector required for ciliogenesis.	Dev.Cell	2023	58	2477	0	
8HV1	38107172	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.,Le Strat, 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	14	2731	2737	
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	39746981	Crystal structure of the L. monocytogenes RmlT in complex with HEPES	2022-12-14	2023-12-27	Monteiro, R.,Cereija, T.B.,Pombinho, R.,Voskuilen, T.,Codee, J.D.C.,Sousa, S.,Morais-Cabral, J.H.,Cabanes, D.	Molecular properties of the RmlT wall teichoic acid rhamnosyltransferase that modulates virulence in Listeria monocytogenes.	Nat Commun	2025	16	24	24	
8BZ8	39746981	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.,Pombinho, R.,Voskuilen, T.,Codee, J.D.C.,Sousa, S.,Morais-Cabral, J.H.,Cabanes, D.	Molecular properties of the RmlT wall teichoic acid rhamnosyltransferase that modulates virulence in Listeria monocytogenes.	Nat Commun	2025	16	24	24	
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	39190548	Aurora A kinase in complex with TPX2-inhibitor 9	2022-12-20	2024-01-10	Stockwell, S.R.,Scott, D.E.,Fischer, G.,Guarino, E.,Rooney, T.P.C.,Feng, T.S.,Moschetti, T.,Srinivasan, R.,Alza, E.,Asteian, A.,Dagostin, C.,Alcaide, A.,Rocaboy, M.,Blaszczyk, B.,Higueruelo, A.,Wang, X.,Rossmann, M.,Perrior, T.R.,Blundell, T.L.,Spring, D.R.,McKenzie, G.,Abell, C.,Skidmore, J.,Venkitaraman, A.R.,Hyvonen, M.	Selective Aurora A-TPX2 Interaction Inhibitors Have In Vivo Efficacy as Targeted Antimitotic Agents.	J.Med.Chem.	2024	67	15521	15536	
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	38776394	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.,Klimes, P.,Koncitikova, R.,Kadlecova, A.,Voller, J.,Chalaki, M.,Karampelias, M.,Murvanidze, N.,Werbrouck, S.P.O.,Kopecny, D.,Havlicek, L.,De Diego, N.,Briozzo, P.,Morera, S.,Zalabak, D.,Spichal, L.	Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.	J.Exp.Bot.	2024	75	4873	4890	
8CM2	38776394	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.,Klimes, P.,Koncitikova, R.,Kadlecova, A.,Voller, J.,Chalaki, M.,Karampelias, M.,Murvanidze, N.,Werbrouck, S.P.O.,Kopecny, D.,Havlicek, L.,De Diego, N.,Briozzo, P.,Morera, S.,Zalabak, D.,Spichal, L.	Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.	J.Exp.Bot.	2024	75	4873	4890	
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	39820027	ACDC domain of the AP2-I transcription factor from Plasmodium vivax	2024-02-05	2024-03-06	Le Berre, M.,Tubiana, T.,Reutersward Waldner, P.,Lazar, N.,Li de la Sierra-Gallay, I.,Santos, J.M.,Llinas, M.,Nessler, S.	Structural characterization of the ACDC domain from ApiAP2 proteins, a potential molecular target against apicomplexan parasites.	Acta Crystallogr D Struct Biol	2025	81	38	48	
8RXA	39820027	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-Gallay, I.,Santos, J.M.,Llinas, M.,Nessler, S.	Structural characterization of the ACDC domain from ApiAP2 proteins, a potential molecular target against apicomplexan parasites.	Acta Crystallogr D Struct Biol	2025	81	38	48	
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	
8OJZ		Arabidopsis thaliana Phosphoenolpyruvate carboxylase 1 (PPC1) G678S mutant	2023-03-25	2024-04-03	Meyer, T.J.,Sheng, J.,Haesaerts, S.,Fausto, 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	
8OJZ		Arabidopsis thaliana Phosphoenolpyruvate carboxylase 1 (PPC1) G678S mutant	2023-03-25	2024-04-03	Meyer, T.J.,Sheng, J.,Haesaerts, S.,Fausto, 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	
8P6F	38503809	Crystal structure of PorX-Fj	2023-05-26	2024-04-03	Zammit, M.,Bartoli, J.,Kellenberger, C.,Melani, P.,Roussel, A.,Cascales, E.,Leone, P.	Structure-function analysis of PorX Fj , the PorX homolog from Flavobacterium johnsioniae, suggests a role of the CheY-like domain in type IX secretion motor activity.	Sci Rep	2024	14	6577	6577	
8OMV	39227404	Crystal structure of the constitutively active S117E/S181E mutant of human IKK2	2023-03-31	2024-04-10	Li, C.,Moro, S.,Shostak, K.,O'Reilly, F.J.,Donzeau, M.,Graziadei, A.,McEwen, A.G.,Desplancq, D.,Poussin-Courmontagne, P.,Bachelart, T.,Fiskin, M.,Berrodier, N.,Pichard, S.,Brillet, K.,Orfanoudakis, G.,Poterszman, A.,Torbeev, V.,Rappsilber, J.,Davey, N.E.,Chariot, A.,Zanier, K.	Molecular mechanism of IKK catalytic dimer docking to NF-kappa B substrates.	Nat Commun	2024	15	7692	7692	
8J2V	40157902	Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin	2023-04-15	2024-04-17	Liao, J.,Shahul Hameed, U.F.,Hoffmann, T.D.,Kurze, E.,Sun, G.,Steinchen, W.,Nicoli, A.,Di Pizio, A.,Kuttler, C.,Song, C.,Catici, D.A.M.,Assaad-Gerbert, F.,Hoffmann, T.,Arold, S.T.,Schwab, W.G.	beta-Carotene alleviates substrate inhibition caused by asymmetric cooperativity.	Nat Commun	2025	16	3065	3065	
8J2Z	40157902	Glucosyl transferase	2023-04-15	2024-04-17	Liao, J.,Shahul Hameed, U.F.,Hoffmann, T.D.,Kurze, E.,Sun, G.,Steinchen, W.,Nicoli, A.,Di Pizio, A.,Kuttler, C.,Song, C.,Catici, D.A.M.,Assaad-Gerbert, F.,Hoffmann, T.,Arold, S.T.,Schwab, W.G.	beta-Carotene alleviates substrate inhibition caused by asymmetric cooperativity.	Nat Commun	2025	16	3065	3065	
8J31	40157902	Glucosyl transferase crystallized in the presence of beta carotene	2023-04-16	2024-04-17	Liao, J.,Shahul Hameed, U.F.,Hoffmann, T.D.,Kurze, E.,Sun, G.,Steinchen, W.,Nicoli, A.,Di Pizio, A.,Kuttler, C.,Song, C.,Catici, D.A.M.,Assaad-Gerbert, F.,Hoffmann, T.,Arold, S.T.,Schwab, W.G.	beta-Carotene alleviates substrate inhibition caused by asymmetric cooperativity.	Nat Commun	2025	16	3065	3065	
8OOM	40075103	Structural and functional studies of geldanamycin amide synthase ShGdmF	2023-04-05	2024-04-17	Ewert, W.,Bartens, C.,Ongouta, J.,Holmes, M.,Heutling, A.,Kishore, A.,Urbansky, T.,Zeilinger, C.,Preller, M.,Kirschning, A.	Structure and function of the geldanamycin amide synthase from Streptomyces hygroscopicus.	Nat Commun	2025	16	2464	2464	
8PMG	38600265	Structure of Nal1 indica cultivar IR64, construct 36-458	2023-06-28	2024-04-17	Huang, L.Y.,Liu, N.N.,Chen, W.F.,Ai, X.,Li, H.H.,Zhang, Z.L.,Hou, X.M.,Fosse, P.,Mauffret, O.,Lei, D.S.,Rety, S.,Xi, X.G.	The catalytic triad of rice NARROW LEAF1 involves H234.	Nat.Plants	2024	10	743	748	
8PZ8	38615411	crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 54	2023-07-27	2024-04-24	Fabisiak, A.,Brzeminski, P.,Sicinski, R.R.,Rochel, N.,Maj, E.,Filip-Psurska, B.,Wietrzyk, J.,Plum, L.A.,DeLuca, H.F.	Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.	Eur.J.Med.Chem.	2024	271	116403	116403	
8PZB	38615411	crystal structure of VDR in complex with D-Bishomo-1a,25-dihydroxyvitamin D3 Analog 49	2023-07-27	2024-04-24	Fabisiak, A.,Brzeminski, P.,Sicinski, R.R.,Rochel, N.,Maj, E.,Filip-Psurska, B.,Wietrzyk, J.,Plum, L.A.,DeLuca, H.F.	Design, synthesis, and biological activity of D-bishomo-1 alpha ,25-dihydroxyvitamin D 3 analogs and their crystal structures with the vitamin D nuclear receptor.	Eur.J.Med.Chem.	2024	271	116403	116403	
8Q5P	38160530	Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from human tyrosine kinase ACK1	2023-08-09	2024-04-24	Le Coadou, L.,Berthelet, J.,Mechaly, A.E.,Michail, C.,Bui, L.C.,Dairou, J.,Haouz, A.,Dupret, J.M.,Rodrigues Lima, F.	Structural and enzymatic evidence for the methylation of the ACK1 tyrosine kinase by the histone lysine methyltransferase SETD2.	Biochem.Biophys.Res.Commun.	2024	695	149400	149400	
8OSV	40075103	Structural and functional studies of geldanamycin amide synthase ShGdmF	2023-04-20	2024-05-01	Ewert, W.,Bartens, C.,Ongouta, J.,Holmes, M.,Heutling, A.,Kishore, A.,Urbansky, T.,Zeilinger, C.,Preller, M.,Kirschning, A.	Structure and function of the geldanamycin amide synthase from Streptomyces hygroscopicus.	Nat Commun	2025	16	2464	2464	
8OSZ	40075103	Structural and functional studies of geldanamycin amide synthase ShGdmF	2023-04-20	2024-05-01	Ewert, W.,Bartens, C.,Ongouta, J.,Holmes, M.,Heutling, A.,Kishore, A.,Urbansky, T.,Zeilinger, C.,Preller, M.,Kirschning, A.	Structure and function of the geldanamycin amide synthase from Streptomyces hygroscopicus.	Nat Commun	2025	16	2464	2464	
8OT2		Structural and functional studies of geldanamycin amide synthase ShGdmF	2023-04-20	2024-05-01	Ewert, W.,Bartens, C.,Heutling, A.,Ongouta, J.,Vogt, M.,Kishore, A.,Zeilinger, C.,Preller, M.	Structural and functional studies of geldanamycin amide synthase ShGdmF	To Be Published	0	0	0	0	
8OUK	39849086	Arf GTPase from the asgard Hodarchaea : HodArfR1 bound to GTP	2023-04-23	2024-05-01	Vargova, R.,Chevreau, R.,Alves, M.,Courbin, C.,Terry, K.,Legrand, P.,Elias, M.,Menetrey, J.,Dacks, J.B.,Jackson, C.L.	The Asgard archaeal origins of Arf family GTPases involved in eukaryotic organelle dynamics.	Nat Microbiol	2025	10	495	508	
8OUM	39849086	Arf GTPase from the asgard Gerdarchaea : GerdArfR1 bound to GTP	2023-04-24	2024-05-01	Vargova, R.,Chevreau, R.,Alves, M.,Courbin, C.,Terry, K.,Legrand, P.,Elias, M.,Menetrey, J.,Dacks, J.B.,Jackson, C.L.	The Asgard archaeal origins of Arf family GTPases involved in eukaryotic organelle dynamics.	Nat Microbiol	2025	10	495	508	
8OUN	39849086	Arf GTPase from the asgard Gerdarchaea : GerdArfR1 bound to GDP	2023-04-24	2024-05-01	Vargova, R.,Chevreau, R.,Alves, M.,Courbin, C.,Terry, K.,Legrand, P.,Elias, M.,Menetrey, J.,Dacks, J.B.,Jackson, C.L.	The Asgard archaeal origins of Arf family GTPases involved in eukaryotic organelle dynamics.	Nat Microbiol	2025	10	495	508	
8POO	38652747	Low resolution structure of inactive conformation of the Ktr cation channel in presence of ATP and c-di-AMP	2023-07-05	2024-05-15	Rocha, R.,Jorge, J.M.P.,Teixeira-Duarte, C.M.,Figueiredo-Costa, I.R.,Cereija, T.B.,Ferreira-Teixeira, P.F.,Herzberg, C.,Stulke, J.,Morais-Cabral, J.H.	c-di-AMP determines the hierarchical organization of bacterial RCK proteins.	Proc.Natl.Acad.Sci.USA	2024	121	0	0	
8R3Q	38767928	Transketolase from Plasmodium falciparum in complex with thiamin pyrophosphate	2023-11-10	2024-05-22	Georges, R.N.,Ballut, L.,Aghajari, N.,Hecquet, L.,Charmantray, F.,Doumeche, B.	Biochemical, Bioinformatic, and Structural Comparisons of Transketolases and Position of Human Transketolase in the Enzyme Evolution.	Biochemistry	2024	63	1460	1473	
8RIR	38996459	S103A mutant of the BTB domain of ZBTB8A from Xenopus laevis	2023-12-19	2024-06-05	Mance, L.,Bigot, N.,Zhamungui Sanchez, E.,Coste, F.,Martin-Gonzalez, N.,Zentout, S.,Biliskov, M.,Pukalo, Z.,Mishra, A.,Chapuis, C.,Arteni, A.A.,Lateur, A.,Goffinont, S.,Gaudon, V.,Talhaoui, I.,Casuso, I.,Beaufour, M.,Garnier, N.,Artzner, F.,Cadene, M.,Huet, S.,Castaing, B.,Suskiewicz, M.J.	Dynamic BTB-domain filaments promote clustering of ZBTB proteins.	Mol.Cell	2024	84	2490	0	
8RIT	38996459	Dimeric mutant S103D of the BTB domain of ZBTB8A from Xenopus laevis	2023-12-19	2024-06-05	Mance, L.,Bigot, N.,Zhamungui Sanchez, E.,Coste, F.,Martin-Gonzalez, N.,Zentout, S.,Biliskov, M.,Pukalo, Z.,Mishra, A.,Chapuis, C.,Arteni, A.A.,Lateur, A.,Goffinont, S.,Gaudon, V.,Talhaoui, I.,Casuso, I.,Beaufour, M.,Garnier, N.,Artzner, F.,Cadene, M.,Huet, S.,Castaing, B.,Suskiewicz, M.J.	Dynamic BTB-domain filaments promote clustering of ZBTB proteins.	Mol.Cell	2024	84	2490	0	
8BTM	40075103	Structural and functional studies of geldanamycin amide synthase ShGdmF	2022-11-29	2024-06-12	Ewert, W.,Bartens, C.,Ongouta, J.,Holmes, M.,Heutling, A.,Kishore, A.,Urbansky, T.,Zeilinger, C.,Preller, M.,Kirschning, A.	Structure and function of the geldanamycin amide synthase from Streptomyces hygroscopicus.	Nat Commun	2025	16	2464	2464	
8QZI		Crystal structure of PptT-ACP from Mycobacterium tuberculosis	2023-10-27	2024-06-19	Gavalda, S.,Faille, A.,Fioccola, S.,Nguyen, M.C.,Carivenc, C.,Rottier, K.,Rufin, Y.,Saitta, S.,Czaplicki, G.,Guilhot, C.,Chalut, C.,Brut, M.,Mourey, L.,Pedelacq, J.D.	Catalytic Cycle of Type II 4'-Phosphopantetheinyl Transferases	Acs Catalysis	2024	14	8561	8575	
9EYR	38858308	VDR complex with gemini analog UG-480	2024-04-09	2024-06-19	Gomez-Bouzo, U.,Peluso-Iltis, C.,Santalla, H.,Quevedo, M.A.,Verlinden, L.,Verstuyf, A.,Fall, Y.,Gomez, G.,Rochel, N.	Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.	J.Med.Chem.	2024	67	10386	10400	
9EZ1	38785958	Vitamin D receptor in complex with 1,4a,25-trihydroxyvitamin D3	2024-04-10	2024-06-19	Peluso-Iltis, C.,Pierrat, N.,Rovito, D.,Osz, J.,Sawada, D.,Kittaka, A.,Laverny, G.,Rochel, N.	4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study.	Biomolecules	2024	14	0	0	
9EZ2	38785958	Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3	2024-04-10	2024-06-19	Peluso-Iltis, C.,Pierrat, N.,Rovito, D.,Osz, J.,Sawada, D.,Kittaka, A.,Laverny, G.,Rochel, N.	4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study.	Biomolecules	2024	14	0	0	
9FBF	38858308	VDR complex with UG-481	2024-05-13	2024-06-19	Gomez-Bouzo, U.,Peluso-Iltis, C.,Santalla, H.,Quevedo, M.A.,Verlinden, L.,Verstuyf, A.,Fall, Y.,Gomez, G.,Rochel, N.	Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain.	J.Med.Chem.	2024	67	10386	10400	
8P9W	38982588	vitamin D receptor complex with Xe4MeCF3 analog	2023-06-06	2024-06-26	Len-Tayon, K.,Beraud, C.,Fauveau, C.,Belorusova, A.Y.,Chebaro, Y.,Mourino, A.,Massfelder, T.,Chauchereau, A.,Metzger, D.,Rochel, N.,Laverny, G.	A vitamin D-based strategy overcomes chemoresistance in prostate cancer.	Br.J.Pharmacol.	2024	181	4279	4293	
8PU4		FaRel2 bound to the ATP analogue, APCPP	2023-07-16	2024-07-24	Garcia-Pino, A.,Talavera Perez, A.,Dominguez Molina, L.	FaRel2 bound to the ATP analogue, APCPP	To Be Published	0	0	0	0	
9G48		Staphylococcus aureus MazF in complex with Nanobody 6	2024-07-15	2024-07-24	Prolic-Kalinsek, M.,Zorzini, V.,Haesaerts, S.,De Bruyn, P.,Loris, R.	Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF	To Be Published	0	0	0	0	
9G4G		Staphylococcus aureus MazF in complex with Nanobody 9	2024-07-15	2024-07-24	Prolic-Kalinsec, M.,Zorzini, V.,Haesaerts, S.,De Bruyn, P.,Loris, R.	Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF	To Be Published	0	0	0	0	
9G5L		Stapylococcus aureus MazF in complex with nanobody 10	2024-07-17	2024-07-24	Prolic-Kalinsek, M.,Zorzini, V.,Haesaerts, S.,De Bruyn, P.,Loris, R.	Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF	To Be Published	0	0	0	0	
9G5Z		Nanobody-mediated activation and inhibition of Staphylococcus aureus MazF	2024-07-17	2024-07-24	Prolic-Kalinsek, M.,Zorzini, V.,Haesaerts, S.,De Bruyn, P.,Loris, R.	Staphylococcus aureus MazF in complex with Nanobody 11	To Be Published	0	0	0	0	
8PIE	39190717	Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010	2023-06-21	2024-07-31	Chazot, A.,Zimberger, C.,Feracci, M.,Moussa, A.,Good, S.,Sommadossi, J.P.,Alvarez, K.,Ferron, F.,Canard, B.	The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.	Plos Biol.	2024	22	0	0	
8QCH	39190717	Human Adenosine deaminase-like protein in complex with compound AT8001	2023-08-26	2024-07-31	Chazot, A.,Zimberger, C.,Feracci, M.,Moussa, A.,Good, S.,Sommadossi, J.P.,Alvarez, K.,Ferron, F.,Canard, B.	The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.	Plos Biol.	2024	22	0	0	
8RZG	39022920	ZgGH129 from Zobellia galactanivorans soaked with the product of the reaction ADG (3,6-anhydro-D-galactose).	2024-02-12	2024-07-31	Wallace, M.D.,Cuxart, I.,Roret, T.,Guee, L.,Debowski, A.W.,Czjzek, M.,Rovira, C.,Stubbs, K.A.,Ficko-Blean, E.	Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.	Angew.Chem.Int.Ed.Engl.	2024	63	0	0	
8RZH	39022920	ZgGH129 from Zobellia galactanivorans in complex with the inhibitor AD-DGJ (3,6-anhydro-D-1-deoxygalactonojirimycin).	2024-02-12	2024-07-31	Wallace, M.D.,Cuxart, I.,Roret, T.,Guee, L.,Debowski, A.W.,Czjzek, M.,Rovira, C.,Stubbs, K.A.,Ficko-Blean, E.	Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.	Angew.Chem.Int.Ed.Engl.	2024	63	0	0	
8VPS	39096501	UIC-12-BPE extension of UIC-1	2024-01-16	2024-08-07	Ganatra, P.,Wang, D.F.,Ganatra, V.,Dang, V.T.,Nguyen, A.I.	Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.	J.Am.Chem.Soc.	2024	146	22236	22246	
8VPY	39096501	UIC-16-MER extension of UIC-1	2024-01-17	2024-08-07	Ganatra, P.,Wang, D.F.,Ganatra, V.,Dang, V.T.,Nguyen, A.I.	Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons.	J.Am.Chem.Soc.	2024	146	22236	22246	
9EV5	39080980	Corynebacterium glutamicum CS176 pyruvate:quinone oxidoreductase (PQO) in complex with FAD and thiamine diphosphate-magnesium ion	2024-03-28	2024-08-07	da Silva Lameira, C.,Munssinger, S.,Yang, L.,Eikmanns, B.J.,Bellinzoni, M.	Corynebacterium glutamicum pyruvate:quinone oxidoreductase: an enigmatic metabolic enzyme with unusual structural features.	Febs J.	2024	291	4501	4521	
8CGZ		tubulin-AB8939 complex	2023-02-06	2024-08-14	Humbert, M.,Letard, S.,Neves, M.,Siavoshian Jeay, S.,Goubard, A.,Casteran, N.,Rebuffet, E.,Hajem, B.,Gros, L.,Varela, P.F.,Gigant, B.,Verdier, P.,Castellano, R.,Colette, Y.,Vey, N.,Pez, D.,Benjahad, A.,Moussy, A.,Mansfield, C.,Dubreuil, P.	Development of AB8939, a Novel Colchicine-like Microtubule Synthetic Destabilizer with the Ability to Overcome Multidrug Resistance	TO BE PUBLISHED	0	0	0	0	
8Q23	39208793	HsNMT1 in complex with both MyrCoA and Ac-D-ORN-SFSKPR inhibitor peptide	2023-08-01	2024-08-14	Riviere, F.,Dian, C.,Dutheil, R.F.,Monassa, P.,Giglione, C.,Meinnel, T.	Novel, tightly structurally related N-myristoyltransferase inhibitors display equally potent yet distinct inhibitory mechanisms.	Structure	2024	32	1737	0	
8Q24	39208793	HsNMT1 in complex with both MyrCoA and (DAB)SFSKPR inhibitor peptide	2023-08-01	2024-08-14	Riviere, F.,Dian, C.,Dutheil, R.F.,Monassa, P.,Giglione, C.,Meinnel, T.	Novel, tightly structurally related N-myristoyltransferase inhibitors display equally potent yet distinct inhibitory mechanisms.	Structure	2024	32	1737	0	
8RD3	39331656	Crystal structure of Saccharomyces cerevisiae Nmd4 protein bound to Upf1 helicase domain	2023-12-07	2024-08-14	Barbarin-Bocahu, I.,Ulryck, N.,Rigobert, A.,Ruiz Gutierrez, N.,Decourty, L.,Raji, M.,Garkhal, B.,Le Hir, H.,Saveanu, C.,Graille, M.	Structure of the Nmd4-Upf1 complex supports conservation of the nonsense-mediated mRNA decay pathway between yeast and humans.	Plos Biol.	2024	22	0	0	
8RDD	39331656	Crystal structure of Saccharomyces cerevisiae Nmd4 protein involved in nonsense mediated mRNA decay	2023-12-08	2024-08-14	Barbarin-Bocahu, I.,Ulryck, N.,Rigobert, A.,Ruiz Gutierrez, N.,Decourty, L.,Raji, M.,Garkhal, B.,Le Hir, H.,Saveanu, C.,Graille, M.	Structure of the Nmd4-Upf1 complex supports conservation of the nonsense-mediated mRNA decay pathway between yeast and humans.	Plos Biol.	2024	22	0	0	
9F7K	39062472	Glutathione transferase epsilon 1 from Drosophila melanogaster in complex with glutathione	2024-05-03	2024-09-04	Schwartz, M.,Petiot, N.,Chaloyard, J.,Senty-Segault, V.,Lirussi, F.,Senet, P.,Nicolai, A.,Heydel, J.M.,Canon, F.,Sonkaria, S.,Khare, V.,Didierjean, C.,Neiers, F.	Structural and Thermodynamic Insights into Dimerization Interfaces of Drosophila Glutathione Transferases.	Biomolecules	2024	14	0	0	
9J9K	40157902	Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin and UDP2F glucose	2024-08-22	2024-09-04	Liao, J.,Shahul Hameed, U.F.,Hoffmann, T.D.,Kurze, E.,Sun, G.,Steinchen, W.,Nicoli, A.,Di Pizio, A.,Kuttler, C.,Song, C.,Catici, D.A.M.,Assaad-Gerbert, F.,Hoffmann, T.,Arold, S.T.,Schwab, W.G.	beta-Carotene alleviates substrate inhibition caused by asymmetric cooperativity.	Nat Commun	2025	16	3065	3065	
8RO8	39240714	Human cohesin SMC1A-HD(longCC-EQ)/RAD21-C complex - Apo closed P-loop conformation	2024-01-11	2024-09-11	Vitoria Gomes, M.,Landwerlin, P.,Diebold-Durand, M.L.,Shaik, T.B.,Durand, A.,Troesch, E.,Weber, C.,Brillet, K.,Lemee, M.V.,Decroos, C.,Dulac, L.,Antony, P.,Watrin, E.,Ennifar, E.,Golzio, C.,Romier, C.	The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.	Cell Rep	2024	43	114656	114656	
8RO9	39240714	Human cohesin SMC1A-HD(longCC-EQ)/RAD21-C complex - Open/closed P-loop conformation	2024-01-11	2024-09-11	Vitoria Gomes, M.,Landwerlin, P.,Diebold-Durand, M.L.,Shaik, T.B.,Durand, A.,Troesch, E.,Weber, C.,Brillet, K.,Lemee, M.V.,Decroos, C.,Dulac, L.,Antony, P.,Watrin, E.,Ennifar, E.,Golzio, C.,Romier, C.	The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.	Cell Rep	2024	43	114656	114656	
8ROA	39240714	Human cohesin SMC1A-HD(longCC-EQ)/RAD21-C complex - ADP-bound conformation	2024-01-11	2024-09-11	Vitoria Gomes, M.,Landwerlin, P.,Diebold-Durand, M.L.,Shaik, T.B.,Durand, A.,Troesch, E.,Weber, C.,Brillet, K.,Lemee, M.V.,Decroos, C.,Dulac, L.,Antony, P.,Watrin, E.,Ennifar, E.,Golzio, C.,Romier, C.	The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.	Cell Rep	2024	43	114656	114656	
8S4H	39259810	Crystal structure of scFv-1B6 in complex with rocuronium bromide	2024-02-21	2024-09-18	Dejoux, A.,Zhu, Q.,Ganneau, C.,Goff, O.R.,Godon, O.,Lemaitre, J.,Relouzat, F.,Huetz, F.,Sokal, A.,Vandenberghe, A.,Pecalvel, C.,Hunault, L.,Derenne, T.,Gillis, C.M.,Iannascoli, B.,Wang, Y.,Rose, T.,Mertens, C.,Nicaise-Roland, P.,England, P.,Mahevas, M.,de Chaisemartin, L.,Le Grand, R.,Letscher, H.,Saul, F.,Pissis, C.,Haouz, A.,Reber, L.L.,Chappert, P.,Jonsson, F.,Ebo, D.G.,Millot, G.A.,Bay, S.,Chollet-Martin, S.,Gouel-Cheron, A.,Bruhns, P.	Rocuronium-specific antibodies drive perioperative anaphylaxis but can also function as reversal agents in preclinical models.	Sci Transl Med	2024	16	0	0	
8QOB		Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP3 and magnesium	2023-09-28	2024-10-09	Scaillet, T.,Wouters, J.	Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with AP3 and magnesium	To Be Published	0	0	0	0	
8QP6	39642219	Crystal structure of Hepatitis C Virus E1 glycoprotein epitope 314-324 scaffold design 1W4K_08 in complex with neutralizing antibody F(ab) fragment IGH526	2023-09-30	2024-10-09	Nagarathinam, K.,Scheck, A.,Labuhn, M.,Stroh, L.J.,Herold, E.,Veselkova, B.,Tune, S.,Cramer, J.T.,Rosset, S.,Vollers, S.S.,Bankwitz, D.,Ballmaier, M.,Boning, H.,Roth, E.,Khera, T.,Ahsendorf-Abidi, H.P.,Dittrich-Breiholz, O.,Obleser, J.,Nassal, M.,Jack, H.M.,Pietschmann, T.,Correia, B.E.,Krey, T.	Epitope-focused immunogens targeting the hepatitis C virus glycoproteins induce broadly neutralizing antibodies.	Sci Adv	2024	10	0	0	
8QP7	39642219	Crystal structure of Hepatitis C Virus E2 glycoprotein epitopeI 411-424 scaffold design 4CIL_04	2023-09-30	2024-10-09	Nagarathinam, K.,Scheck, A.,Labuhn, M.,Stroh, L.J.,Herold, E.,Veselkova, B.,Tune, S.,Cramer, J.T.,Rosset, S.,Vollers, S.S.,Bankwitz, D.,Ballmaier, M.,Boning, H.,Roth, E.,Khera, T.,Ahsendorf-Abidi, H.P.,Dittrich-Breiholz, O.,Obleser, J.,Nassal, M.,Jack, H.M.,Pietschmann, T.,Correia, B.E.,Krey, T.	Epitope-focused immunogens targeting the hepatitis C virus glycoproteins induce broadly neutralizing antibodies.	Sci Adv	2024	10	0	0	
8QTM		Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 G678S mutant with bound malate	2023-10-12	2024-10-23	Meyer, T.J.,Sheng, J.,Haesearts, S.,Fausto, 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	
8QTM		Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 G678S mutant with bound malate	2023-10-12	2024-10-23	Meyer, T.J.,Sheng, J.,Haesearts, S.,Fausto, 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	
8QVT		Crystal structure of Zea mays cytokinin oxidase/dehydrogenase 5 (ZmCKX5)	2023-10-18	2024-10-30	Nedved, D.,Motyka, V.,Raimanova, I.,Dobrev, P.I.,Kopecny, D.,Briozzo, P.,Brunoni, F.,Muller, K.,Hoyerova, K.	Cytokinin Dehydrogenase in Xylem Sap Reveals A Direct Link Between Metabolism and Long-Distance Transport	to be published	0	0	0	0	
8QX1		Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 R886G mutant with bound malate	2023-10-20	2024-10-30	Meyer, T.J.,Sheng, J.,Haesearts, S.,Fausto, 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	
8QX1		Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 R886G mutant with bound malate	2023-10-20	2024-10-30	Meyer, T.J.,Sheng, J.,Haesearts, S.,Fausto, 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	
8QX3		Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 R886G mutant	2023-10-21	2024-10-30	Meyer, T.J.,Sheng, J.,Haesearts, S.,Fausto, 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	
8QX3		Arabidopsis thaliana Phosphoenolpyruvate carboxylase PPC1 R886G mutant	2023-10-21	2024-10-30	Meyer, T.J.,Sheng, J.,Haesearts, S.,Fausto, 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	
8QZU	39428351	XhpG hydrolase mutant S98A of Xenorhabdus hominickii	2023-10-30	2024-11-06	Effert, J.,Westphalen, M.,Calderari, A.,Shi, Y.M.,Elamri, I.,Najah, S.,Grun, P.,Li, Y.,Gruez, A.,Weissman, K.J.,Bode, H.B.	Pyrrolizwilline, a Unique Bacterial Alkaloid Assembled by a Nonribosomal Peptide Synthetase and non-Enzymatic Dimerization.	Angew.Chem.Int.Ed.Engl.	2024	63	0	0	
8RZF	39445822	RNase W from Sulfolobus acidocaldarius	2024-02-12	2024-11-06	Vayssieres, M.,Juttner, M.,Haas, K.,Ancelin, A.,Marchfelder, A.,Leulliot, N.,Ferreira-Cerca, S.,Blaud, M.	RNase W, a conserved ribonuclease family with a novel active site.	Nucleic Acids Res.	2024	52	13386	13401	
8S81	39483223	VirC mutant C114A-Q334A-R335A-R338A	2024-03-05	2024-11-13	Collin, S.,Weissman, K.J.,Gruez, A.	Structural Plasticity within 3-Hydroxy-3-Methylglutaryl Synthases Catalyzing the First Step of beta-Branching in Polyketide Biosynthesis Underpins a Dynamic Mechanism of Substrate Accommodation.	Jacs Au	2024	4	3833	3847	
8RW9	39660065	Domains 1 and 2 of Bacillus anthracis Sap S-layer in complex with Nb694	2024-02-02	2024-11-20	Cecil, A.J.,Sogues, A.,Gurumurthi, M.,Lane, K.S.,Remaut, H.,Pak, A.J.	Molecular dynamics and machine learning stratify motion-dependent activity profiles of S-layer destabilizing nanobodies.	Pnas Nexus	2024	3	0	0	
8RX2	39652757	Domains 1 and 2 of Sap S-layer protein from Bacillus anthracis	2024-02-06	2024-11-20	Sogues, A.,Leigh, K.,Halingstad, E.V.,Van der Verren, S.E.,Cecil, A.J.,Fioravanti, A.,Pak, A.J.,Kudryashev, M.,Remaut, H.	Architecture of the Sap S-layer of Bacillus anthracis revealed by integrative structural biology.	Proc.Natl.Acad.Sci.USA	2024	121	0	0	
8S80	39652757	Domains 4 and 5 of Sap S-layer protein from Bacillus anthracis	2024-03-05	2024-11-20	Sogues, A.,Leigh, K.,Halingstad, E.V.,Van der Verren, S.E.,Cecil, A.J.,Fioravanti, A.,Pak, A.J.,Kudryashev, M.,Remaut, H.	Architecture of the Sap S-layer of Bacillus anthracis revealed by integrative structural biology.	Proc.Natl.Acad.Sci.USA	2024	121	0	0	
8RIM	39540340	Arginase 2 in complex with inhibitor	2023-12-19	2024-11-27	Shields, J.D.,Aquila, B.M.,Emmons, D.,Finlay, M.R.V.,Gangl, E.T.,Gu, C.,Mlynarski, S.N.,Petersen, J.,Pop-Damkov, P.,Sha, L.,Simpson, I.,Tavakoli, S.,Tentarelli, S.,Wang, H.,Ye, Q.,Zheng, X.	Design and Synthesis of Acyclic Boronic Acid Arginase Inhibitors.	J.Med.Chem.	2024	67	20799	20826	
9HBQ		SARS-CoV-2 Main Protease complexed with (1R)-N-(3-chlorophenyl)-3-oxo-indane-1-carboxamide	2024-11-08	2024-11-27	Hanoulle, X.,Charton, J.,Deprez, B.	SARS-CoV-2 Main Protease complexed with (1R)-N-(3-chlorophenyl)-3-oxo-indane-1-carboxamide	To Be Published	0	0	0	0	
9HC1		SARS-CoV-2 Main Protease complexed with (1R)-N-(3-chlorophenyl)-3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]indane-1-carboxamide	2024-11-08	2024-11-27	Hanoulle, X.,Charton, J.,Deprez, B.	SARS-CoV-2 Main Protease complexed with (1R)-N-(3-chlorophenyl)-3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]indane-1-carboxamide	To Be Published	0	0	0	0	
9HD8		SARS-CoV-2 Main Protease in complex with with (1R)-N-(3-chlorophenyl)-N-[4-(2,4-dioxo-1H-pyrimidin-5-yl)phenyl]-3-oxo-indane-1-carboxamide	2024-11-12	2024-11-27	Hanoulle, X.,Charton, J.,Deprez, B.	SARS-CoV-2 Main Protease in complex with with (1R)-N-(3-chlorophenyl)-N-[4-(2,4-dioxo-1H-pyrimidin-5-yl)phenyl]-3-oxo-indane-1-carboxamide	To Be Published	0	0	0	0	
9HDC		SARS-CoV-2 Main Protease in complex with (3S)-3-[(3R)-3-phenylpiperidine-1-carbonyl]indan-1-one	2024-11-12	2024-11-27	Hanoulle, X.,Charton, J.,Deprez, B.	SARS-CoV-2 Main Protease in complex with (3S)-3-[(3R)-3-phenylpiperidine-1-carbonyl]indan-1-one	To Be Published	0	0	0	0	
8S2M	39613764	Xenorhabdus bovienii Rhs C-terminal toxin TreX complex with TriX immunity protein	2024-02-18	2024-12-04	Dumont, B.,Terradot, L.,Cascales, E.,Van Melderen, L.,Jurenas, D.	Thioredoxin 1 moonlights as a chaperone for an interbacterial ADP-ribosyltransferase toxin.	Nat Commun	2024	15	10388	10388	
8S2N	39613764	Xenorhabdus bovienii Rhs toxin TreTu complex with TrxA and TriTu immunity protein	2024-02-18	2024-12-04	Dumont, B.,Terradot, L.,Cascales, E.,Van Melderen, L.,Jurenas, D.	Thioredoxin 1 moonlights as a chaperone for an interbacterial ADP-ribosyltransferase toxin.	Nat Commun	2024	15	10388	10388	
9F28	39738083	Crystal structure of the heterodimeric primase from pyrococcus abyssi (deletion of the PriL-CTD domain)	2024-04-22	2024-12-04	Martinez-Carranza, M.,Vialle, L.,Madru, C.,Cordier, F.,Tekpinar, A.D.,Haouz, A.,Legrand, P.,Le Meur, R.A.,England, P.,Dulermo, R.,Guijarro, J.I.,Henneke, G.,Sauguet, L.	Communication between DNA polymerases and Replication Protein A within the archaeal replisome.	Nat Commun	2024	15	10926	10926	
9FRO	39592260	Crystal structure of Pent - p-sulfonatocalix[6]arene complex	2024-06-19	2024-12-04	Flood, R.J.,Thureau, A.,Crowley, P.B.	A Macrocycle-Mediated Protein Cage.	ACS Macro Lett	2024	13	1686	1690	
9GCO	39613764	Xenorhabdus bovienii Thioredoxin complex with Rhs toxin TreX and immunity protein TriX	2024-08-02	2024-12-04	Dumont, B.,Terradot, L.,Cascales, E.,Van Melderen, L.,Jurenas, D.	Thioredoxin 1 moonlights as a chaperone for an interbacterial ADP-ribosyltransferase toxin.	Nat Commun	2024	15	10388	10388	
8RBK		Bos taurus PRMT9 in the presence of SAH	2023-12-04	2024-12-11	Bonnefond, L.,Cavarelli, J.	Crystal structure of PRMT9 with SAH	To Be Published	0	0	0	0	
8XBN		Crystal structure of Arabidopsis N-amino acetyltransferase NATA1 bound to CoA and HEPES	2023-12-06	2024-12-11	Hameed, U.F.S.,Arold, S.T.	Crystal structure of Arabidopsis NATA1 bound to CoA and HEPES	To Be Published	0	0	0	0	
9GYA	39610329	Vitamin D Receptor in complex with Sila-e	2024-10-01	2024-12-11	Loureiro, J.,Seoane, S.,Sampaio-Dias, I.E.,Peluso-Iltis, C.,Guiberteau, T.,Brito, B.,Gregorio, C.,Perez-Fernandez, R.,Rochel, N.,Mourino, A.,Rodriguez-Borges, J.E.	First Sila-Vitamin D Analogues: Design, Synthesis, Structural Analysis and Biological Activity.	J.Med.Chem.	2024	67	21505	21519	
9GYJ	39610329	Vitamin D receptor in complex with Sila-c	2024-10-02	2024-12-11	Loureiro, J.,Seoane, S.,Sampaio-Dias, I.E.,Peluso-Iltis, C.,Guiberteau, T.,Brito, B.,Gregorio, C.,Perez-Fernandez, R.,Rochel, N.,Mourino, A.,Rodriguez-Borges, J.E.	First Sila-Vitamin D Analogues: Design, Synthesis, Structural Analysis and Biological Activity.	J.Med.Chem.	2024	67	21505	21519	
9GYK	39610329	Vitamin D receptor in complex with Sila-f	2024-10-02	2024-12-11	Loureiro, J.,Seoane, S.,Sampaio-Dias, I.E.,Peluso-Iltis, C.,Guiberteau, T.,Brito, B.,Gregorio, C.,Perez-Fernandez, R.,Rochel, N.,Mourino, A.,Rodriguez-Borges, J.E.	First Sila-Vitamin D Analogues: Design, Synthesis, Structural Analysis and Biological Activity.	J.Med.Chem.	2024	67	21505	21519	
9F80	39641026	Crystal structure of Rv2242 regulator C-terminal fragment (161-414)	2024-05-06	2024-12-18	Megalizzi, V.,Tanina, A.,Grosse, C.,Mirgaux, M.,Legrand, P.,Dias Mirandela, G.,Wohlkonig, A.,Bifani, P.,Wintjens, R.	Domain architecture of the Mycobacterium tuberculosis MabR ( Rv2242 ), a member of the PucR transcription factor family.	Heliyon	2024	10	0	0	
9GIQ	39641779	BFL1 covalently bound to inhibitor compound 13	2024-08-19	2024-12-18	Palisse, A.,Cheung, T.,Blokhuis, A.,Cogswell, T.,Martins, B.S.,Riemens, R.,Schellekens, R.,Battocchio, G.,Jansen, C.,Cottee, M.A.,Ornell, K.,Sacchetto, C.,Leon, L.,van Hoek-Emmelot, M.,Bostock, M.,Brauer, B.L.,Beaumont, K.,Lucas, S.C.C.,Ahmed, S.,Blackwell, J.H.,Borjesson, U.,Gohlke, A.,Gramatikov, I.M.T.,Hargreaves, D.,van Hoeven, V.,Kantae, V.,Kupcova, L.,Milbradt, A.G.,Seneviratne, U.,Su, N.,Vales, J.,Wang, H.,White, M.J.,Kinzel, O.	Structure-Based Discovery of a Series of Covalent, Orally Bioavailable, and Selective BFL1 Inhibitors.	J.Med.Chem.	2024	67	22055	22079	
9GIS	39641779	BFL1 covalently bound to inhibitor compound 17	2024-08-19	2024-12-18	Palisse, A.,Cheung, T.,Blokhuis, A.,Cogswell, T.,Martins, B.S.,Riemens, R.,Schellekens, R.,Battocchio, G.,Jansen, C.,Cottee, M.A.,Ornell, K.,Sacchetto, C.,Leon, L.,van Hoek-Emmelot, M.,Bostock, M.,Brauer, B.L.,Beaumont, K.,Lucas, S.C.C.,Ahmed, S.,Blackwell, J.H.,Borjesson, U.,Gohlke, A.,Gramatikov, I.M.T.,Hargreaves, D.,van Hoeven, V.,Kantae, V.,Kupcova, L.,Milbradt, A.G.,Seneviratne, U.,Su, N.,Vales, J.,Wang, H.,White, M.J.,Kinzel, O.	Structure-Based Discovery of a Series of Covalent, Orally Bioavailable, and Selective BFL1 Inhibitors.	J.Med.Chem.	2024	67	22055	22079	
9HC2		Crystal structure of Lysozyme in complex with Gentisic Acid	2024-11-08	2024-12-18	Ifeagwu, M.C.,Flood, R.J.,Mockler, N.M.,Crowley, P.B.	Crystal structure of Lysozyme in complex with Gentisic Acid	To Be Published	0	0	0	0	
8QGZ	39604162	NbE201 a nanobody binding human neutrophil elastase	2023-09-06	2024-12-25	Redeghieri, P.,Moray, J.,Kerff, F.,Gohy, S.,Leal, T.,Muyldermans, S.,Vanbever, R.,Morales-Yanez, F.J.,Dumoulin, M.	Enzymatic, structural, and biophysical characterization of a single-domain antibody (VHH) selectively and tightly inhibiting neutrophil elastase and exhibiting favorable developability properties.	Protein Sci.	2024	33	0	0	
8XJF		Crystal structure of Arabidopsis N-amino acetyltransferase 2 bound to HEPES, Acetyl CoA, GABA, and glycerol	2023-12-21	2024-12-25	Arold, S.T.,Hameed, U.F.S.	Crystal structure of Arabidopsis N-amino acetyltransferase 2 bound to HEPES, Acetyl CoA, GABA, and glycerol	To Be Published	0	0	0	0	
8REP	40149854	Crystal structure of oxidized ThyX-Y91F mutant	2023-12-12	2025-01-01	Pecqueur, L.,Lombard, M.,Hamdane, D.	Structural Plasticity of Flavin-Dependent Thymidylate Synthase Controlled by the Enzyme Redox State.	Biomolecules	2025	15	0	0	
8RF7	40063605	Crystal structure of maize adenosine kinase 2 (ADK2) apoform	2023-12-12	2025-01-01	Kopecny, D.J.,Vigouroux, A.,Belicek, J.,Kopecna, M.,Koncitikova, R.,Friedecka, J.,Mik, V.,Supikova, K.,Humplik, J.F.,Le Berre, M.,Plancqueel, S.,Strnad, M.,von Schwartzenberg, K.,Novak, O.,Morera, S.,Kopecny, D.	A monomer-dimer switch modulates the activity of plant adenosine kinase.	J.Exp.Bot.	2025	0	0	0	
8RGJ	40063605	Structure of maize adenosine kinase 2 (ADK2) in complex with AMP-PCP	2023-12-13	2025-01-01	Kopecny, D.J.,Vigouroux, A.,Belicek, J.,Kopecna, M.,Koncitikova, R.,Friedecka, J.,Mik, V.,Supikova, K.,Humplik, J.F.,Le Berre, M.,Plancqueel, S.,Strnad, M.,von Schwartzenberg, K.,Novak, O.,Morera, S.,Kopecny, D.	A monomer-dimer switch modulates the activity of plant adenosine kinase.	J.Exp.Bot.	2025	0	0	0	
8RI4		Crystal structure of the SARS-CoV-2 Main Protease inhibited by (2-methylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)-(p-tolyl)methanone	2023-12-18	2025-01-01	Charton, J.,Hanoulle, X.,Deprez, B.	Crystal structure of the SARS-CoV-2 Main Protease inhibited by (2-methylsulfanyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)-(p-tolyl)methanone	To Be Published	0	0	0	0	
9FO1	39797788	Family S1_16 sulfatase from metagenomic dataset AMOR	2024-06-11	2025-01-22	Rhein-Knudsen, N.,Reyes-Weiss, D.S.,Klau, L.J.,Jeudy, A.,Roret, T.,Stokke, R.,Eijsink, V.G.H.,Aachmann, F.L.,Czjzek, M.,Horn, S.J.	Identification and Characterization of a New Thermophilic kappa-Carrageenan Sulfatase.	J.Agric.Food Chem.	2025	73	2044	2055	
9GFE	39714600	hRAR LBD protein in complex with AM580 agonist ligand and a stapled peptide	2024-08-09	2025-01-22	Perdriau, C.,Luton, A.,Zimmeter, K.,Neuville, M.,Saragaglia, C.,Peluso-Iltis, C.,Osz, J.,Kauffmann, B.,Collie, G.W.,Rochel, N.,Guichard, G.,Pasco, M.	Guanidinium-Stapled Helical Peptides for Targeting Protein-Protein Interactions.	Angew.Chem.Int.Ed.Engl.	2025	64	0	0	
8RMZ		Apoform of spermine/spermidine acetyl transferase (AtSSAT) from A. thaliana	2024-01-09	2025-01-29	Morera, S.,Briozzo, P.	Not defined yet, more later	To Be Published	0	0	0	0	
8RPA	40063605	Crystal structure of Zea mays adenosine kinase 3 (ZmADK3) in complex with AP5A	2024-01-13	2025-01-29	Kopecny, D.J.,Vigouroux, A.,Belicek, J.,Kopecna, M.,Koncitikova, R.,Friedecka, J.,Mik, V.,Supikova, K.,Humplik, J.F.,Le Berre, M.,Plancqueel, S.,Strnad, M.,von Schwartzenberg, K.,Novak, O.,Morera, S.,Kopecny, D.	A monomer-dimer switch modulates the activity of plant adenosine kinase.	J.Exp.Bot.	2025	0	0	0	
9FM5	39832214	PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (AL-97)	2024-06-05	2025-02-05	Puszko, A.K.,Batista, F.A.,Ejjoummany, A.,Bouillon, A.,Maurel, M.,Adler, P.,Legru, A.,Martinez, M.,Ortega Varga, L.,Hadjadj, M.,Alzari, P.M.,Blondel, A.,Haouz, A.,Barale, J.C.,Hernandez, J.F.	Towards Improved Peptidic alpha-Ketoamide Inhibitors of the Plasmodial Subtilisin-Like SUB1: Exploration of N-Terminal Extensions and Cyclic Constraints.	Chemmedchem	2025	20	0	0	
8QHF	39880088	Corynebacterium glutamicum mycoloyltransferase C acyl-enzyme intermediate	2023-09-08	2025-02-12	Lesur, E.,Zhang, Y.,Dautin, N.,Dietrich, C.,Li de la Sierra-Gallay, I.,Augusto, L.A.,Rollando, P.,Lazar, N.,Urban, D.,Doisneau, G.,Constantinesco-Becker, F.,Van Tilbeurgh, H.,Guianvarc'h, D.,Bourdreux, Y.,Bayan, N.	Synthetic mycolates derivatives to decipher protein mycoloylation, a unique post-translational modification in bacteria.	J.Biol.Chem.	2025	301	108243	108243	
8RRL	40129024	14-3-3 sigma complexed with a phosphopeptide optimized for a Fusicoccin-mediated stabilization of the complex	2024-01-22	2025-02-12	Delalande, F.,Ostergaard, S.R.,Gogl, G.,Cousido-Siah, A.,McEwen, A.G.,Men, Y.,Salimova, F.,Rohrbacher, A.,Kostmann, C.,Nomine, Y.,Vincentelli, R.,Eberling, P.,Carapito, C.,Trave, G.,Monsellier, E.	Holdup Multiplex Assay for High-Throughput Measurement of Protein-Ligand Affinity Constants Using a Mass Spectrometry Readout.	J.Am.Chem.Soc.	2025	147	10886	10902	
9G6Q	39892658	scFv IP11 in complex with rocuronium	2024-07-19	2025-02-12	Dejoux, A.,Zhu, Q.,Woolfe, A.,Godon, O.,Ellouze, S.,Mottet, G.,Castrillon, C.,Gillis, C.,Pecalvel, C.,Ganneau, C.,Iannascoli, B.,Lemoine, F.,Saul, F.,England, P.,Reber, L.L.,Gouel-Cheron, A.,de Chaisemartin, L.,Haouz, A.,Millot, G.A.,Bay, S.,Gerard, A.,Jonsson, F.,Chollet-Martin, S.,Bruhns, P.	Antibody-secreting cell repertoires hold high-affinity anti-rocuronium specificities that can induce anaphylaxis in vivo.	J.Allergy Clin.Immunol.	2025	155	1557	1574	
9G6S	39892658	Fab-IP2 in complex with rocuronium	2024-07-19	2025-02-12	Dejoux, A.,Zhu, Q.,Woolfe, A.,Godon, O.,Ellouze, S.,Mottet, G.,Castrillon, C.,Gillis, C.,Pecalvel, C.,Ganneau, C.,Iannascoli, B.,Lemoine, F.,Saul, F.,England, P.,Reber, L.L.,Gouel-Cheron, A.,de Chaisemartin, L.,Haouz, A.,Millot, G.A.,Bay, S.,Gerard, A.,Jonsson, F.,Chollet-Martin, S.,Bruhns, P.	Antibody-secreting cell repertoires hold high-affinity anti-rocuronium specificities that can induce anaphylaxis in vivo.	J.Allergy Clin.Immunol.	2025	155	1557	1574	
9GFI	39714600	hRAR alpha LBD-AM580 complex with staple peptide	2024-08-09	2025-02-12	Perdriau, C.,Luton, A.,Zimmeter, K.,Neuville, M.,Saragaglia, C.,Peluso-Iltis, C.,Osz, J.,Kauffmann, B.,Collie, G.W.,Rochel, N.,Guichard, G.,Pasco, M.	Guanidinium-Stapled Helical Peptides for Targeting Protein-Protein Interactions.	Angew.Chem.Int.Ed.Engl.	2025	64	0	0	
9LRJ	40157902	Glucosyl transferase NbUGT72AY1 co-crystallized with Scopoletin and UDP2Fglucose in the presence of retinol	2025-01-31	2025-02-12	Liao, J.,Shahul Hameed, U.F.,Hoffmann, T.D.,Kurze, E.,Sun, G.,Steinchen, W.,Nicoli, A.,Di Pizio, A.,Kuttler, C.,Song, C.,Catici, D.A.M.,Assaad-Gerbert, F.,Hoffmann, T.,Arold, S.T.,Schwab, W.G.	beta-Carotene alleviates substrate inhibition caused by asymmetric cooperativity.	Nat Commun	2025	16	3065	3065	
9GR3	39977527	The MK-RSL - sulfonato-calix[4]arene complex	2024-09-10	2025-03-05	Mockler, N.M.,Ramberg, K.O.,Flood, R.J.,Crowley, P.B.	N-Terminal Protein Binding and Disorder-to-Order Transition by a Synthetic Receptor.	Biochemistry	2025	64	1092	1098	
9GR4	39977527	The MKA-RSL - sulfonato-calix[4]arene complex	2024-09-10	2025-03-05	Mockler, N.M.,Ramberg, K.O.,Flood, R.J.,Crowley, P.B.	N-Terminal Protein Binding and Disorder-to-Order Transition by a Synthetic Receptor.	Biochemistry	2025	64	1092	1098	
9GR5	39977527	The MKAA-RSL - sulfonato-calix[4]arene complex	2024-09-10	2025-03-05	Mockler, N.M.,Ramberg, K.O.,Flood, R.J.,Crowley, P.B.	N-Terminal Protein Binding and Disorder-to-Order Transition by a Synthetic Receptor.	Biochemistry	2025	64	1092	1098	
8S6L		AzeD dehydratase of Pseudomonas aeruginosa	2024-02-27	2025-03-12	Calderari, A.,Gruez, A.,Najah, S.,Li, Y.,Weissman, K.J.	High resolution structure of azetidomonamide dehydratase	To be published	0	0	0	0	
9FJ1	39939832	Structure of the F13 protein of Vaccinia virus in complex with IMCBH	2024-05-30	2025-03-12	Vernuccio, R.,Martinez Leon, A.,Poojari, C.S.,Buchrieser, J.,Selverian, C.N.,Jaleta, Y.,Meola, A.,Guivel-Benhassine, F.,Porrot, F.,Haouz, A.,Chevreuil, M.,Raynal, B.,Mercer, J.,Simon-Loriere, E.,Chandran, K.,Schwartz, O.,Hub, J.S.,Guardado-Calvo, P.	Structural insights into tecovirimat antiviral activity and poxvirus resistance.	Nat Microbiol	2025	10	734	748	
9H38	39990323	C-terminal domain of the F-ENA tip fibrillum F-BclA from Bacillus thuringiensis	2024-10-16	2025-03-12	Sleutel, M.,Sogues, A.,Gerven, N.V.,Jonsmoen, U.L.,Molle, I.V.,Fislage, M.,Theunissen, L.D.,Bellis, N.F.,Baquero, D.P.,Egelman, E.H.,Krupovic, M.,Wang, F.,Aspholm, M.,Remaut, H.	Cryo-EM analysis of the Bacillus thuringiensis extrasporal matrix identifies F-ENA as a widespread family of endospore appendages across the Firmicutes phylum.	Biorxiv	2025	0	0	0	
9H3D	39990323	F-ENA exosporium anchoring complex between ExsF and a peptide derived from the N-terminus of F-Anchor	2024-10-16	2025-03-12	Sleutel, M.,Sogues, A.,Gerven, N.V.,Jonsmoen, U.L.,Molle, I.V.,Fislage, M.,Theunissen, L.D.,Bellis, N.F.,Baquero, D.P.,Egelman, E.H.,Krupovic, M.,Wang, F.,Aspholm, M.,Remaut, H.	Cryo-EM analysis of the Bacillus thuringiensis extrasporal matrix identifies F-ENA as a widespread family of endospore appendages across the Firmicutes phylum.	Biorxiv	2025	0	0	0	
8S88		Crystal structure of human L-lactate Dehydrogenase B protein in complex with NADH, oxamate and fluoxetine	2024-03-06	2025-03-19	Van Gysel, M.,Wouters, J.	Crystal structure of human L-lactate Dehydrogenase B protein in complex with NADH, oxamate and fluoxetine	To Be Published	0	0	0	0	
9EWA	40065647	The sTeLIC pentameric Ligand-Gated Ion Channel (wild-type) in complex with 4-Bromophenethylamine	2024-04-03	2025-03-26	Karlsson, E.,Anden, O.,Fan, C.,Fourati, Z.,Haouz, A.,Zhuang, Y.,Howard, R.J.,Delarue, M.,Lindahl, E.	Vestibular modulation by stimulant derivatives in a pentameric ligand-gated ion channel.	Br.J.Pharmacol.	2025	182	2790	2802	
9EWL	40065647	The sTeLIC pentameric Ligand-Gated Ion Channel (wild-type) in complex with 4-bromoamphetamine	2024-04-04	2025-03-26	Karlsson, E.,Anden, O.,Fan, C.,Fourati, Z.,Haouz, A.,Zhuang, Y.,Howard, R.J.,Delarue, M.,Lindahl, E.	Vestibular modulation by stimulant derivatives in a pentameric ligand-gated ion channel.	Br.J.Pharmacol.	2025	182	2790	2802	
9GLA	39733900	Crystal structure of a CDK2-based CDK7 mimic with inhibitor SY5609	2024-08-27	2025-04-02	Skerlova, J.,Krejcirikova, V.,Perina, M.,Vojackova, V.,Fabry, M.,Krystof, V.,Jorda, R.,Rezacova, P.	CDK2-based CDK7 mimic as a tool for structural analysis: Biochemical validation and crystal structure with SY5609.	Int.J.Biol.Macromol.	2025	294	139117	139117	
9FW6	40063605	A ternary complex of plant adenosine kinase 1 from moss Physcomitrella patens (PpADK1) with adenosine and ADP	2024-06-28	2025-04-09	Kopecny, D.J.,Vigouroux, A.,Belicek, J.,Kopecna, M.,Koncitikova, R.,Friedecka, J.,Mik, V.,Supikova, K.,Humplik, J.F.,Le Berre, M.,Plancqueel, S.,Strnad, M.,von Schwartzenberg, K.,Novak, O.,Morera, S.,Kopecny, D.	A monomer-dimer switch modulates the activity of plant adenosine kinase.	J.Exp.Bot.	2025	0	0	0	
9FWD	40130494	Structure of indole-3-acetic acid-amido synthetase GH3.6 from A.thaliana in complex with AMP	2024-06-29	2025-04-09	Hladik, P.,Brunoni, F.,Zukauskaite, A.,Zatloukal, M.,Belicek, J.,Kopecny, D.,Briozzo, P.,Ferchaud, N.,Novak, O.,Pencik, A.	Phenylacetic acid metabolism in land plants: novel pathways and metabolites.	J.Exp.Bot.	2025	0	0	0	
8RVR	40163365	Crystal structure of Trypanosoma congolense pyruvate kinase in complex with a single-domain antibody (TcoPYK-sdAb42) in the presence of sulfate	2024-02-02	2025-04-16	Pinto Torres, J.E.,Claes, M.,Hendrickx, R.,Yuan, M.,Smiejkowska, N.,Van Wielendaele, P.,Hacisuleyman, A.,De Winter, H.,Muyldermans, S.,Michels, P.A.M.,Walkinshaw, M.D.,Versees, W.,Caljon, G.,Magez, S.,Sterckx, Y.G.	Allosteric inhibition of trypanosomatid pyruvate kinases by a camelid single-domain antibody.	Elife	2025	13	0	0	
9G3K	40279549	LecB from PA01 in complex with synthetic beta - fucosylamide	2024-07-12	2025-04-16	Antonini, G.,Fares, M.,Hauck, D.,Mala, P.,Gillon, E.,Belvisi, L.,Bernardi, A.,Titz, A.,Varrot, A.,Mazzotta, S.	Toward Dual-Target Glycomimetics against Two Bacterial Lectins to Fight Pseudomonas aeruginosa - Burkholderia cenocepacia Infections: A Biophysical Study.	J.Med.Chem.	2025	68	9681	9693	
9H0Q	40279549	N terminal domain of BC2L-C lectin in complex with N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide	2024-10-08	2025-04-16	Antonini, G.,Fares, M.,Hauck, D.,Mala, P.,Gillon, E.,Belvisi, L.,Bernardi, A.,Titz, A.,Varrot, A.,Mazzotta, S.	Toward Dual-Target Glycomimetics against Two Bacterial Lectins to Fight Pseudomonas aeruginosa - Burkholderia cenocepacia Infections: A Biophysical Study.	J.Med.Chem.	2025	68	9681	9693	
9HBD	40178192	The RSL - phosphonato-calix[6]arene cocrystal structure, pH 4.0	2024-11-06	2025-04-16	Mockler, N.M.,Raston, C.L.,Crowley, P.B.	Making and Breaking Supramolecular Synthons for Modular Protein Frameworks.	Chemistry	2025	31	0	0	
9HBE	40178192	The RSL - phosphonato-calix[6]arene cocrystal structure, pH 8.5	2024-11-06	2025-04-16	Mockler, N.M.,Raston, C.L.,Crowley, P.B.	Making and Breaking Supramolecular Synthons for Modular Protein Frameworks.	Chemistry	2025	31	0	0	
9HBF	40178192	The MK-RSL - phosphonato-calix[6]arene cocrystal structure	2024-11-06	2025-04-16	Mockler, N.M.,Raston, C.L.,Crowley, P.B.	Making and Breaking Supramolecular Synthons for Modular Protein Frameworks.	Chemistry	2025	31	0	0	
9HBG	40178192	The PK-RSL - phosphonato-calix[6]arene cocrystal structure	2024-11-06	2025-04-16	Mockler, N.M.,Raston, C.L.,Crowley, P.B.	Making and Breaking Supramolecular Synthons for Modular Protein Frameworks.	Chemistry	2025	31	0	0	
9MUK	40444636	RlmR 23S rRNA methyltransferase from Thermus thermophilus	2025-01-14	2025-04-23	Tanouti, Y.,Roovers, M.,Wolff, P.,Lechner, A.,Van Elder, D.,Feller, A.,Soin, R.,Gueydan, C.,Kruys, V.,Droogmans, L.,Labar, G.	Structural insight into the novel Thermus thermophilus SPOUT methyltransferase RlmR catalysing Um2552 formation in the 23S rRNA A-loop: a case of convergent evolution.	Nucleic Acids Res.	2025	53	0	0	
9F0N		Crystal structure of Ta_Cel5A E133A variant, apoform	2024-04-17	2025-04-30	Dutoit, R.	Crystal structure of Ta_Cel5A E133A variant, apoform	To Be Published	0	0	0	0	
9FW8	39938446	VDR complex with UG-650	2024-06-28	2025-05-07	Gomez-Bouzo, U.,Peluso-Iltis, C.,Santalla, H.,Verlinden, L.,Verstuyf, A.,Rochel, N.,Gomez, G.,Fall, Y.	Design, synthesis and biological evaluation of a novel non-Gemini analog of UVB1 and crystal structure of its complex with the vitamin D receptor.	Bioorg.Chem.	2025	157	108239	108239	
9C4W		Menin mutant - G331R	2024-06-05	2025-05-14	Clegg, B.D.,Cierpicki, T.,Grembecka, J.	Menin mutant - G331R	To Be Published	0	0	0	0	
9C4S		Menin mutant G331R in complex with MLL peptide	2024-06-05	2025-05-21	Clegg, B.D.,Cierpicki, T.,Grembecka, J.	Menin mutant G331R in complex with MLL peptide	To Be Published	0	0	0	0	
9H5E	40209950	NNMT-SAH IN COMPLEX WITH 1p	2024-10-22	2025-05-21	Akerud, T.,De Fusco, C.,Brandt, P.,Bergstrom, F.,Johansson, P.,Ek, M.,Borjesson, U.,Johansson, A.,Danielsson, J.,Bauer, M.,Arnaud, B.,Castaldo, M.,Stromstedt, M.,Rosengren, B.,Jansen, F.,Fredlund, L.	Mechanism and kinetics of turnover inhibitors of nicotinamide N-methyl transferase in vitro and in vivo.	J.Biol.Chem.	2025	301	108492	108492	
8ZRO		Arabidopsis Carboxylesterase CXE15	2024-06-05	2025-05-28	Arold, S.T.,Hameed, U.F.S.	Arabidopsis Carboxylesterase CXE15	To Be Published	0	0	0	0	
9FDO		Structure of the schistosomine 79 (DNYR) from schistosoma in C2 space group	2024-05-17	2025-05-28	Morera, S.,Vigouroux, A.,Legrand, P.,Vicogne, J.,Melnyk, O.	Structure of the schistosomine 79 (DNYR) from schistosoma in C2 space group	To Be Published	0	0	0	0	
9ENA	40425544	Lysosomal glucocerebrosidase in complex with a stabilizing nanobody	2024-03-12	2025-06-04	Dal Maso, T.,Sinisgalli, C.,Zilio, G.,Franzin, E.,Tessari, I.,Pardon, E.,Steyaert, J.,Ballet, S.,Greggio, E.,Versees, W.,Plotegher, N.	Developing nanobodies as allosteric molecular chaperones of glucocerebrosidase function.	Nat Commun	2025	16	4890	4890	
9FF6		Human transthyretin (TTR) in complex with (E)-4-((((2-methoxybenzyl)oxy)imino)methyl)benzoic acid (Lic157)	2024-05-22	2025-06-04	Ciccone, L.,Shepard, W.,Sirigu, S.,Camodeca, C.,Mazzoccchi, F.,Fruchart, C.,Nencetti, S.,Orlandini, E.	Human transthyretin (TTR) in complex with (E)-4-((((2-methoxybenzyl)oxy)imino)methyl)benzoic acid (Lic157)	To Be Published	0	0	0	0	
9H7X		SmsC2 dimer from M. jannaschii	2024-10-28	2025-06-04	Mechaly, A.E.,Dussouchaud, M.,Haouz, A.,Betton, J.M.,Barras, F.	SmsC2 dimer from M. jannaschii	To Be Published	0	0	0	0	
9H7Y		SmsC2B2 complex from M. jannaschii (orthorhombic form)	2024-10-28	2025-06-04	Mechaly, A.E.,Dussouchaud, M.,Haouz, A.,Betton, J.M.,Barras, F.	SmsC2B2 complex from M. jannaschii (orthorhombic form)	To Be Published	0	0	0	0	
9FHA		Human transthyretin (TTR) in complex with (E)-2-((((2-(trifluoromethyl)benzyl)oxy)imino)methyl)benzoic acid	2024-05-27	2025-06-11	Ciccone, L.,Shepard, W.,Sirigu, S.,Camodeca, C.,Mazzoccchi, F.,Fruchart, C.,Nencetti, S.,Orlandini, E.	Human transthyretin (TTR) in complex with (E)-2-((((2-(trifluoromethyl)benzyl)oxy)imino)methyl)benzoic acid	To Be Published	0	0	0	0	
9FKO		Arm segment of bacteriophage phi812	2024-06-03	2025-06-18	Binovsky, J.,Siborova, M.,Plevka, P.	Cell attachment and tail contraction of S. aureus phage phi812	To Be Published	0	0	0	0	
9CB8		Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with 5-benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione	2024-06-18	2025-06-25	Froes, T.Q.,Vaidergorn, M.M.,dos Santos, T.,Leite, P.I.P.L.,Godoi, B.F.,Emery, F.S.,Nonato, M.C.	Crystal structure of dihydroorotate dehydrogenase from Leishmania brasiliensis in complex with 5-benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione	To Be Published	0	0	0	0	
9FQC		Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in copmplex with O-Phosphoserine	2024-06-15	2025-06-25	Scaillet, T.,Wouters, J.	Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in copmplex with O-Phosphoserine	To Be Published	0	0	0	0	
8RIC		Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus bound to Sinapic Acid, tetragonal crystal	2023-12-18	2025-07-02	Savino, C.,Sciara, G.,Gugole, E.,Vallone, B.,Fata, F.,Bulfaro, G.,Costanzo, A.,Montemiglio, L.C.,Record, E.	Towards an understanding of microbial lignin breakdown: fungal flavoenzymes prevent laccase-mediated polymerization of phenolic compounds	To Be Published	0	0	0	0	
8RID		Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus bound to Sinapic Acid, orthorhombic crystal	2023-12-18	2025-07-02	Savino, C.,Sciara, G.,Gugole, E.,Vallone, B.,Fata, F.,Bulfaro, G.,Costanzo, A.,Montemiglio, L.C.,Record, E.	Towards an understanding of microbial lignin breakdown: fungal flavoenzymes prevent laccase-mediated polymerization of phenolic compounds	To Be Published	0	0	0	0	
8RIE		Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus bound to Guaiacol, orthorhombic crystal	2023-12-18	2025-07-02	Savino, C.,Sciara, G.,Gugole, E.,Vallone, B.,Fata, F.,Bulfaro, G.,Costanzo, A.,Montemiglio, L.C.,Record, E.	Towards an understanding of microbial lignin breakdown: fungal flavoenzymes prevent laccase-mediated polymerization of phenolic compounds	To Be Published	0	0	0	0	
9FQN		Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with L-Ser and Magnesium	2024-06-17	2025-07-02	Scaillet, T.,Wouters, J.	Crystal structure of phosphoserine phosphatase (SerB) from Brucella melitensis in complex with L-Ser and Magnesium	To Be Published	0	0	0	0	
9FRN	38463617	The RSL-D46H - sulfonato-calix[8]arene complex, acetate pH 4.0	2024-06-19	2025-07-02	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	
9FSL		Crystal structure of CyuA from Methanococcus maripaludis with [2Fe-2S] clusters solved by Fe-SAD	2024-06-21	2025-07-02	Golinelli-Pimpaneau, B.	Insights into the phylogenetic distribution, structure and function of [4Fe-4S]-dependent L-cysteine desulfidase, an enzyme that supplies sulfide to the archaeon Methanococcus maripaludis	To Be Published	0	0	0	0	
9I1N		The MK-RSL - sulfato-terphen[3]arene complex, P63 form, citrate pH 4.0	2025-01-16	2025-07-02	Ifeagwu, M.C.,Guo, L.,Mockler, N.M.,Dong, M.,Li, C.,Crowley, P.B.	N-Terminal Protein Complexation and Assembly with a Triangular Sulfated Macrocycle	Cryst.Growth Des.	2025	0	0	0	
9I1O		The MK-RSL - sulfato-terphen[3]arene complex, C121 form	2025-01-16	2025-07-02	Ifeagwu, M.C.,Guo, L.,Mockler, N.M.,Dong, M.,Li, C.,Crowley, P.B.	N-Terminal Protein Complexation and Assembly with a Triangular Sulfated Macrocycle	Cryst.Growth Des.	2025	0	0	0