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Neuropathic MORC2 mutations perturb GHKL ATPase dimerization dynamics and epigenetic silencing by multiple structural mechanisms. Nat Commun 2018 9 651 651 5MDK 29463722 Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form (oxidized state - state 3) 2016-11-11 2018-02-21 Kalms, J.,Schmidt, A.,Frielingsdorf, S.,Utesch, T.,Gotthard, G.,von Stetten, D.,van der Linden, P.,Royant, A.,Mroginski, M.A.,Carpentier, P.,Lenz, O.,Scheerer, P. Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase. Proc. Natl. Acad. Sci. U.S.A. 2018 115 0 0 5MDL 29463722 Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its O2-derivatized form by a ""soak-and-freeze"" derivatization method 2016-11-11 2018-02-21 Kalms, J.,Schmidt, A.,Frielingsdorf, S.,Utesch, T.,Gotthard, G.,von Stetten, D.,van der Linden, P.,Royant, A.,Mroginski, M.A.,Carpentier, P.,Lenz, O.,Scheerer, P. 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PLoS ONE 2018 13 0 0 5Z0Z 30271975 Crystal structure of shaft pilin spaD from Lactobacillus rhamnosus GG - D242A mutant 2017-12-22 2018-06-20 Chaurasia, P.,Pratap, S.,Palva, A.,von Ossowski, I.,Krishnan, V. Bent conformation of a backbone pilin N-terminal domain supports a three-stage pilus assembly mechanism. Commun Biol 2018 1 94 94 5O9S 29892081 HsNMT1 in complex with CoA and Myristoylated-GKSNSKLK octapeptide 2017-06-20 2018-06-27 Castrec, B.,Dian, C.,Ciccone, S.,Ebert, C.L.,Bienvenut, W.V.,Le Caer, J.P.,Steyaert, J.M.,Giglione, C.,Meinnel, T. Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern. Nat. Chem. Biol. 2018 14 671 679 6F2O 29897575 Crystal structure of mouse SALM5 adhesion protein extracellular LRR-Ig domain fragment 2017-11-25 2018-06-27 Karki, S.,Paudel, P.,Sele, C.,Shkumatov, A.V.,Kajander, T. The structure of SALM5 suggests a dimeric assembly for the presynaptic RPTP ligand recognition. Protein Eng. Des. 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Nat Commun 2019 10 925 925 6FGD 30704910 Crystal structure of Gephyrin E domain in complex with Artemether 2018-01-10 2019-01-16 Kasaragod, V.B.,Hausrat, T.J.,Schaefer, N.,Kuhn, M.,Christensen, N.R.,Tessmer, I.,Maric, H.M.,Madsen, K.L.,Sotriffer, C.,Villmann, C.,Kneussel, M.,Schindelin, H. Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins. Neuron 2019 101 673 0 6G48 29845996 Sporosarcina pasteurii urease inhibited by silver 2018-03-27 2019-01-16 Mazzei, L.,Cianci, M.,Gonzalez Vara, A.,Ciurli, S. The structure of urease inactivated by Ag(i): a new paradigm for enzyme inhibition by heavy metals. Dalton Trans 2018 47 8240 8247 6H28 30632739 Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the absence of DTT 2018-07-13 2019-01-23 Tassoni, R.,Blok, A.,Pannu, N.S.,Ubbink, M. New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis. Biochemistry 2019 58 997 1009 6H2A 30632739 Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the presence of DTT 2018-07-13 2019-01-23 Tassoni, R.,Blok, A.,Pannu, N.S.,Ubbink, M. New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis. Biochemistry 2019 58 997 1009 6H2C 30632739 Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct derived from clavulanic acid. 2018-07-13 2019-01-23 Tassoni, R.,Blok, A.,Pannu, N.S.,Ubbink, M. New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis. Biochemistry 2019 58 997 1009 6H2H 30632739 Structure of BlaC from Mycobacterium tuberculosis covalently bound to avibactam. 2018-07-13 2019-01-23 Tassoni, R.,Blok, A.,Pannu, N.S.,Ubbink, M. New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis. Biochemistry 2019 58 997 1009 6H2K 30632739 Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam. 2018-07-13 2019-01-23 Tassoni, R.,Blok, A.,Pannu, N.S.,Ubbink, M. New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis. Biochemistry 2019 58 997 1009 6HGC 30639226 Structure of Calypso in complex with DEUBAD of ASX 2018-08-23 2019-01-23 De, I.,Chittock, E.C.,Grotsch, H.,Miller, T.C.R.,McCarthy, A.A.,Muller, C.W. Structural Basis for the Activation of the Deubiquitinase Calypso by the Polycomb Protein ASX. Structure 2019 27 528 0 6FHB Death-associated Protein Kinase 1 (DAPK1) catalytic and auto-regulatory domains with S289A and S308E mutations 2018-01-12 2019-01-30 Huart, A.-S.,Simon, B.,Lubner, J.,Mertens, H.D.T.,Temmerman, K.,Hoffmann, J.-E.,Svergun, D.I.,Schwartz, D.,Schultz, C.,Wilmanns, M. Molecular mechanisms behind DAPK regulation: how phosphorylation switches work To Be Published 0 0 0 0 6H0C 30447285 Flv1 flavodiiron core from Synechocystis sp. PCC6803 2018-07-08 2019-01-30 Borges, P.T.,Romao, C.V.,Saraiva, L.M.,Goncalves, V.L.,Carrondo, M.A.,Teixeira, M.,Frazao, C. Analysis of a new flavodiiron core structural arrangement in Flv1-Delta FlR protein from Synechocystis sp. PCC6803. J. Struct. Biol. 2019 205 91 102 6HW3 30657666 Yeast 20S proteasome in complex with 13 2018-10-11 2019-01-30 Xin, B.T.,Huber, E.M.,de Bruin, G.,Heinemeyer, W.,Maurits, E.,Espinal, C.,Du, Y.,Janssens, M.,Weyburne, E.S.,Kisselev, A.F.,Florea, B.I.,Driessen, C.,van der Marel, G.A.,Groll, M.,Overkleeft, H.S. Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem. 2019 62 1626 1642 6HW5 30657666 Yeast 20S proteasome in complex with 18 2018-10-11 2019-01-30 Xin, B.T.,Huber, E.M.,de Bruin, G.,Heinemeyer, W.,Maurits, E.,Espinal, C.,Du, Y.,Janssens, M.,Weyburne, E.S.,Kisselev, A.F.,Florea, B.I.,Driessen, C.,van der Marel, G.A.,Groll, M.,Overkleeft, H.S. Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem. 2019 62 1626 1642 6EP5 30850593 Enterococcus faecalis FIC protein in complex with ADP. 2017-10-10 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 6GXJ 30674089 X-ray structure of DiRu-1-encapsulated Apoferritin 2018-06-27 2019-02-06 Petruk, G.,Monti, D.M.,Ferraro, G.,Pica, A.,D'Elia, L.,Pane, F.,Amoresano, A.,Furrer, J.,Kowalski, K.,Merlino, A. Encapsulation of the Dinuclear Trithiolato-Bridged Arene Ruthenium Complex Diruthenium-1 in an Apoferritin Nanocage: Structure and Cytotoxicity. ChemMedChem 2019 14 594 602 6HAR 30700553 Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C 2018-08-08 2019-02-06 Cohen, I.,Coban, M.,Shahar, A.,Sankaran, B.,Hockla, A.,Lacham, S.,Caulfield, T.R.,Radisky, E.S.,Papo, N. Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin. J.Biol.Chem. 2019 294 5105 5120 6FZP 30651555 PPAR gamma complex. 2018-03-15 2019-02-13 Rochel, N.,Krucker, C.,Coutos-Thevenot, L.,Osz, J.,Zhang, R.,Guyon, E.,Zita, W.,Vanthong, S.,Hernandez, O.A.,Bourguet, M.,Badawy, K.A.,Dufour, F.,Peluso-Iltis, C.,Heckler-Beji, S.,Dejaegere, A.,Kamoun, A.,de Reynies, A.,Neuzillet, Y.,Rebouissou, S.,Beraud, C.,Lang, H.,Massfelder, T.,Allory, Y.,Cianferani, S.,Stote, R.H.,Radvanyi, F.,Bernard-Pierrot, I. Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors. Nat Commun 2019 10 253 253 6H3V 30787296 Bunyamwera 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 6FR1 Crystal structure of ERK2 in complex with an adenosine derivative 2018-02-15 2019-03-13 Gelin, M.,Pochet, S.,Labesse, G. None To be published 0 0 0 0 6FSL F194W mutant of the dye-decolorizing peroxidase (DYP) from Pleurotus ostreatus 2018-02-19 2019-03-13 Romero, A.,Davo-Siguero, I.,Martinez, A.T. Structure of two mutants: F194Y and F194W of the Dye-decolorizing peroxidase DYP from Pleurotus ostreatus To Be Published 0 0 0 0 6QE3 30950402 Re-refinement of 6ESR human IBA57 at 1.75 A resolution 2019-01-04 2019-03-13 Gourdoupis, S.,Nasta, V.,Ciofi-Baffoni, S.,Banci, L.,Calderone, V. 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Acs Omega 2019 4 5471 5478 6HEH 30926242 Structure of the catalytic domain of USP28 (insertion deleted) 2018-08-20 2019-03-27 Gersch, M.,Wagstaff, J.L.,Toms, A.V.,Graves, B.,Freund, S.M.V.,Komander, D. Distinct USP25 and USP28 Oligomerization States Regulate Deubiquitinating Activity. Mol.Cell 2019 74 436 0 6HEJ 30926242 Structure of human USP28 2018-08-20 2019-03-27 Gersch, M.,Wagstaff, J.L.,Toms, A.V.,Graves, B.,Freund, S.M.V.,Komander, D. Distinct USP25 and USP28 Oligomerization States Regulate Deubiquitinating Activity. Mol.Cell 2019 74 436 0 6HFO 30876805 Human Hsp90 co-chaperone TTC4 C-domain 2018-08-21 2019-03-27 Schopf, F.H.,Huber, E.M.,Dodt, C.,Lopez, A.,Biebl, M.M.,Rutz, D.A.,Muhlhofer, M.,Richter, G.,Madl, T.,Sattler, M.,Groll, M.,Buchner, J. The Co-chaperone Cns1 and the Recruiter Protein Hgh1 Link Hsp90 to Translation Elongation via Chaperoning Elongation Factor 2. Mol.Cell 2019 74 73 0 6HK5 30858174 X-ray structure of a truncated mutant of the metallochaperone CooJ with a high-affinity nickel-binding site 2018-09-05 2019-03-27 Alfano, M.,Perard, J.,Carpentier, P.,Basset, C.,Zambelli, B.,Timm, J.,Crouzy, S.,Ciurli, S.,Cavazza, C. The carbon monoxide dehydrogenase accessory protein CooJ is a histidine-rich multidomain dimer containing an unexpected Ni(II)-binding site. J.Biol.Chem. 2019 294 7601 7614 6HMB 31559376 STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 Gene product) IN COMPLEX WITH the inhibitor CX-4945 (Silmitasertib) 2018-09-12 2019-03-27 Lindenblatt, D.,Nickelsen, A.,Applegate, V.M.,Hochscherf, J.,Witulski, B.,Bouaziz, Z.,Marminon, C.,Bretner, M.,Le Borgne, M.,Jose, J.,Niefind, K. Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega 2019 4 5471 5478 6HMC 31559376 STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 2018-09-12 2019-03-27 Lindenblatt, D.,Nickelsen, A.,Applegate, V.M.,Hochscherf, J.,Witulski, B.,Bouaziz, Z.,Marminon, C.,Bretner, M.,Le Borgne, M.,Jose, J.,Niefind, K. Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega 2019 4 5471 5478 6HMQ 31559376 STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE BENZOTRIAZOLE-TYPE INHIBITOR MB002 2018-09-12 2019-03-27 Lindenblatt, D.,Nickelsen, A.,Applegate, V.M.,Hochscherf, J.,Witulski, B.,Bouaziz, Z.,Marminon, C.,Bretner, M.,Le Borgne, M.,Jose, J.,Niefind, K. Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega 2019 4 5471 5478 6I01 30872481 Structure of human D-glucuronyl C5 epimerase in complex with substrate 2018-10-24 2019-04-03 Debarnot, C.,Monneau, Y.R.,Roig-Zamboni, V.,Delauzun, V.,Le Narvor, C.,Richard, E.,Henault, J.,Goulet, A.,Fadel, F.,Vives, R.R.,Priem, B.,Bonnaffe, D.,Lortat-Jacob, H.,Bourne, Y. Substrate binding mode and catalytic mechanism of human heparan sulfate d-glucuronyl C5 epimerase. Proc.Natl.Acad.Sci.USA 2019 116 6760 6765 6ENH 30920824 Crystal structure of the 43K ATPase domain of Thermus thermophilus gyrase B in complex with an aminocoumarin 2017-10-04 2019-04-10 Vanden Broeck, A.,McEwen, A.G.,Chebaro, Y.,Potier, N.,Lamour, V. Structural Basis for DNA Gyrase Interaction with Coumermycin A1. J.Med.Chem. 2019 62 4225 4231 6GMZ 30901200 Staphylopine dehydrogenase in complex with Histidine tag and citrate 2018-05-29 2019-04-10 Hajjar, C.,Fanelli, R.,Laffont, C.,Brutesco, C.,Cullia, G.,Tribout, M.,Nurizzo, D.,Borezee-Durant, E.,Voulhoux, R.,Pignol, D.,Lavergne, J.,Cavelier, F.,Arnoux, P. Control by Metals of Staphylopine Dehydrogenase Activity during Metallophore Biosynthesis. J.Am.Chem.Soc. 2019 141 5555 5562 6H6I 30926858 Ferric murine neuroglobin Gly-loop mutant 2018-07-27 2019-04-10 Exertier, C.,Milazzo, L.,Freda, I.,Montemiglio, L.C.,Scaglione, A.,Cerutti, G.,Parisi, G.,Anselmi, M.,Smulevich, G.,Savino, C.,Vallone, B. Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating. Sci Rep 2019 9 5326 5326 6HXJ 30944476 Structure of ATP citrate lyase from Chlorobium limicola in complex with citrate and coenzyme A. 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 6QTL Caffeine recognizing nanobody 2019-02-25 2019-04-10 Lesne, J.x. Structural basis for chemically-induced homodimerization of a single domain antibody To Be Published 0 0 0 0 6R2E 30987202 Crystal structure of the human thymidylate synthase (hTS) interface variant Q62R 2019-03-16 2019-04-10 Pozzi, C.,Lopresti, L.,Santucci, M.,Costi, M.P.,Mangani, S. Evidence of Destabilization of the Human Thymidylate Synthase (hTS) Dimeric Structure Induced by the Interface Mutation Q62R. Biomolecules 2019 9 0 0 6I5W 30947380 BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannobiose 2018-11-14 2019-04-17 Ejby, M.,Guskov, A.,Pichler, M.J.,Zanten, G.C.,Schoof, E.,Saburi, W.,Slotboom, D.J.,Abou Hachem, M. Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles. Mol.Microbiol. 2019 112 114 130 6HPE 30972861 Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with the glutathione adduct of phenethyl-isothiocyanate 2018-09-20 2019-04-24 Schwartz, M.,Perrot, T.,Morel-Rouhier, M.,Mulliert, G.,Gelhaye, E.,Didierjean, C.,Favier, F. The structure of Trametes versicolor glutathione transferase Omega 3S bound to its conjugation product glutathionyl-phenethylthiocarbamate reveals plasticity of its active site. Protein Sci. 2019 28 1143 1150 6REZ 30989112 Crystal structure of the light-driven sodium pump KR2 in the pentameric form, pH 5.0 2019-04-12 2019-04-24 Kovalev, K.,Polovinkin, V.,Gushchin, I.,Alekseev, A.,Shevchenko, V.,Borshchevskiy, V.,Astashkin, R.,Balandin, T.,Bratanov, D.,Vaganova, S.,Popov, A.,Chupin, V.,Buldt, G.,Bamberg, E.,Gordeliy, V. Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv 2019 5 0 0 6RF0 30989112 Crystal structure of the light-driven sodium pump KR2 in the pentameric ""dry"" form 2019-04-12 2019-04-24 Kovalev, K.,Polovinkin, V.,Gushchin, I.,Alekseev, A.,Shevchenko, V.,Borshchevskiy, V.,Astashkin, R.,Balandin, T.,Bratanov, D.,Vaganova, S.,Popov, A.,Chupin, V.,Buldt, G.,Bamberg, E.,Gordeliy, V. Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv 2019 5 0 0 6RF4 30989112 Crystal structure of the potassium-pumping S254A mutant of the light-driven sodium pump KR2 in the pentameric form, pH 8.0 2019-04-12 2019-04-24 Kovalev, K.,Polovinkin, V.,Gushchin, I.,Alekseev, A.,Shevchenko, V.,Borshchevskiy, V.,Astashkin, R.,Balandin, T.,Bratanov, D.,Vaganova, S.,Popov, A.,Chupin, V.,Buldt, G.,Bamberg, E.,Gordeliy, V. Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv 2019 5 0 0 6RF6 30989112 Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 8.0 2019-04-12 2019-04-24 Kovalev, K.,Polovinkin, V.,Gushchin, I.,Alekseev, A.,Shevchenko, V.,Borshchevskiy, V.,Astashkin, R.,Balandin, T.,Bratanov, D.,Vaganova, S.,Popov, A.,Chupin, V.,Buldt, G.,Bamberg, E.,Gordeliy, V. Structure and mechanisms of sodium-pumping KR2 rhodopsin. Sci Adv 2019 5 0 0 6I9Y 30996797 The 2.14 A X-ray crystal structure of Sporosarcina pasteurii urease in complex with Au(I) ions 2018-11-26 2019-05-01 Mazzei, L.,Wenzel, M.N.,Cianci, M.,Palombo, M.,Casini, A.,Ciurli, S. Inhibition Mechanism of Urease by Au(III) Compounds Unveiled by X-ray Diffraction Analysis. Acs Med.Chem.Lett. 2019 10 564 570 6Q6Q 30985987 Human aldehyde oxidase SNP G1269R 2018-12-11 2019-05-01 Mota, C.,Esmaeeli, M.,Coelho, C.,Santos-Silva, T.,Wolff, M.,Foti, A.,Leimkuhler, S.,Romao, M.J. Human aldehyde oxidase (hAOX1): structure determination of the Moco-free form of the natural variant G1269R and biophysical studies of single nucleotide polymorphisms. Febs Open Bio 2019 9 925 934 6HNC 31012301 Trypanosoma brucei PTR1 in complex with cycloguanil 2018-09-14 2019-05-08 Landi, G.,Linciano, P.,Borsari, C.,Bertolacini, C.P.,Moraes, C.B.,Cordeiro-da-Silva, A.,Gul, S.,Witt, G.,Kuzikov, M.,Costi, M.P.,Pozzi, C.,Mangani, S. 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Structure 2019 27 1246 0 6HRS 31178222 Structure of the TRPML2 ELD at pH 4.5 2018-09-28 2019-06-19 Viet, K.K.,Wagner, A.,Schwickert, K.,Hellwig, N.,Brennich, M.,Bader, N.,Schirmeister, T.,Morgner, N.,Schindelin, H.,Hellmich, U.A. Structure of the Human TRPML2 Ion Channel Extracytosolic/Lumenal Domain. Structure 2019 27 1246 0 6QQC 31316810 Cryogenic temperature structure of Hen Egg White Lysozyme recorded after an accumulated dose of 110 kGy 2019-02-18 2019-06-19 Gotthard, G.,Aumonier, S.,De Sanctis, D.,Leonard, G.,von Stetten, D.,Royant, A. Specific radiation damage is a lesser concern at room temperature. Iucrj 2019 6 665 680 6QQD 31316810 Cryogenic temperature structure of Hen Egg White Lysozyme recorded after an accumulated dose of 10 MGy 2019-02-18 2019-06-19 Gotthard, G.,Aumonier, S.,De Sanctis, D.,Leonard, G.,von Stetten, D.,Royant, A. Specific radiation damage is a lesser concern at room temperature. Iucrj 2019 6 665 680 6I65 31127318 Crystal structure of human ERRg LBD in complex with 4-iso-propylphenol 2018-11-15 2019-07-03 Thouennon, E.,Delfosse, V.,Bailly, R.,Blanc, P.,Boulahtouf, A.,Grimaldi, M.,Barducci, A.,Bourguet, W.,Balaguer, P. Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci. 2019 76 4769 4781 6I66 31127318 Crystal structure of human ERRg LBD in complex with 4-sec-butylphenol 2018-11-15 2019-07-03 Thouennon, E.,Delfosse, V.,Bailly, R.,Blanc, P.,Boulahtouf, A.,Grimaldi, M.,Barducci, A.,Bourguet, W.,Balaguer, P. Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors. Cell.Mol.Life Sci. 2019 76 4769 4781 6I67 31127318 Crystal structure of human ERRg LBD in complex with tetrahydro-2-naphtol 2018-11-15 2019-07-03 Thouennon, E.,Delfosse, V.,Bailly, R.,Blanc, P.,Boulahtouf, A.,Grimaldi, M.,Barducci, A.,Bourguet, W.,Balaguer, P. 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Nat Commun 2019 10 2869 2869 6R2G 31255705 Crystal structure of a single-chain protein mimetic of the gp41 NHR trimer in complex with the synthetic CHR peptide C34 2019-03-17 2019-07-10 Jurado, S.,Cano-Munoz, M.,Morel, B.,Standoli, S.,Santarossa, E.,Moog, C.,Schmidt, S.,Laumond, G.,Camara-Artigas, A.,Conejero-Lara, F. Structural and Thermodynamic Analysis of HIV-1 Fusion Inhibition Using Small gp41 Mimetic Proteins. J.Mol.Biol. 2019 431 3091 3106 6N63 31282860 Crystal structure of an Iron binding protein 2018-11-24 2019-07-17 Giessen, T.W.,Orlando, B.J.,Verdegaal, A.A.,Chambers, M.G.,Gardener, J.,Bell, D.C.,Birrane, G.,Liao, M.,Silver, P.A. Large protein organelles form a new iron sequestration system with high storage capacity. Elife 2019 8 0 0 6PLG 31327531 Crystal structure of human PHGDH complexed with Compound 15 2019-06-30 2019-07-24 Mullarky, E.,Xu, J.,Robin, A.D.,Huggins, D.J.,Jennings, A.,Noguchi, N.,Olland, A.,Lakshminarasimhan, D.,Miller, M.,Tomita, D.,Michino, M.,Su, T.,Zhang, G.,Stamford, A.W.,Meinke, P.T.,Kargman, S.,Cantley, L.C. Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells. Bioorg.Med.Chem.Lett. 2019 29 2503 2510 6HN7 31350119 Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit. 2018-09-14 2019-07-31 Fillol-Salom, A.,Bacarizo, J.,Alqasmi, M.,Ciges-Tomas, J.R.,Martinez-Rubio, R.,Roszak, A.W.,Cogdell, R.J.,Chen, J.,Marina, A.,Penades, J.R. Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit. Mol.Cell 2019 75 1020 0 6H5K MamM CTD D249E - Zinc form 2018-07-25 2019-08-07 Barber-Zucker, S.,Zarivach, R. MamM CTD D249E - Zinc form To Be Published 0 0 0 0 6H5M MamM CTD H264E - Zinc form 1 2018-07-25 2019-08-07 Barber-Zucker, S.,Zarivach, R. MamM CTD H264E - Zinc form 1 To Be Published 0 0 0 0 6H5U MamM CTD H264E - Zinc form 2 2018-07-25 2019-08-07 Barber-Zucker, S.,Zarivach, R. MamM CTD H264E - Zinc form 2 To Be Published 0 0 0 0 6H5V MamM CTD H264E 2018-07-25 2019-08-07 Barber-Zucker, S.,Zarivach, R. MamM CTD H264E To Be Published 0 0 0 0 6QT8 31296859 Crystal structure of Rea1-MIDAS domain from Chaetomium thermophilum 2019-02-22 2019-08-07 Ahmed, Y.L.,Thoms, M.,Mitterer, V.,Sinning, I.,Hurt, E. Crystal structures of Rea1-MIDAS bound to its ribosome assembly factor ligands resembling integrin-ligand-type complexes. Nat Commun 2019 10 3050 3050 6H54 38317495 CRYSTAL STRUCTURE OF BOVINE HSC70(AA1-554)E213A/D214A IN COMPLEX WITH INHIBITOR VER155008 2018-07-23 2019-08-14 Zehe, M.,Kehrein, J.,Schollmayer, C.,Plank, C.,Kovacs, H.,Merino Asumendi, E.,Holzgrabe, U.,Grimm, C.,Sotriffer, C. Combined In-Solution Fragment Screening and Crystallographic Binding-Mode Analysis with a Two-Domain Hsp70 Construct. Acs Chem.Biol. 2024 0 0 0 6H6M CR10 murine norovirus protruding domain in complex with the CD300lf receptor and glycochenodeoxycholate (GCDCA) 2018-07-27 2019-08-14 Kilic, T.,Koromyslova, A.,Malak, V.,Hansman, G.S. Crystal structures of murine norovirus protruding domain with conjugated bile acid reveal a novel binding pocket. To Be Published 0 0 0 0 6QKB 31723261 Crystal structure of the beta-hydroxyaspartate aldolase of Paracoccus denitrificans 2019-01-28 2019-08-14 Schada von Borzyskowski, L.,Severi, F.,Kruger, K.,Hermann, L.,Gilardet, A.,Sippel, F.,Pommerenke, B.,Claus, P.,Cortina, N.S.,Glatter, T.,Zauner, S.,Zarzycki, J.,Fuchs, B.M.,Bremer, E.,Maier, U.G.,Amann, R.I.,Erb, T.J. Marine Proteobacteria metabolize glycolate via the beta-hydroxyaspartate cycle. Nature 2019 575 500 504 6RJV 31361466 The X-ray structure of the Gold/Serum Albumin adduct obtained upon reaction of the protein with AuL12, a gold(III) dithiocarbamate complex 2019-04-29 2019-08-14 Pratesi, A.,Cirri, D.,Fregona, D.,Ferraro, G.,Giorgio, A.,Merlino, A.,Messori, L. Structural Characterization of a Gold/Serum Albumin Complex. Inorg.Chem. 2019 58 10616 10619 6I1J 31489168 Selective formation of trinuclear transition metal centers in a trimeric helical peptide 2018-10-28 2019-09-04 Boyle, A.L.,Rabe, M.,Crone, N.S.A.,Rhys, G.G.,Soler, N.,Voskamp, P.,Pannu, N.S.,Kros, A. Selective coordination of three transition metal ions within a coiled-coil peptide scaffold. Chem Sci 2019 10 7456 7465 6HTV 31140266 Crystal structure of Leuconostoc citreum NRRL B-1299 N-terminally truncated dextransucrase DSR-M in complex with isomaltotetraose 2018-10-04 2019-09-11 Claverie, M.,Cioci, G.,Guionnet, M.,Schorghuber, J.,Lichtenecker, R.,Moulis, C.,Remaud-Simeon, M.,Lippens, G. Futile Encounter Engineering of the DSR-M Dextransucrase Modifies the Resulting Polymer Length. Biochemistry 2019 58 2853 2859 6R4V 31427399 Crystal structure of human geranylgeranyl diphosphate synthase bound to ibandronate 2019-03-24 2019-09-18 Lisnyansky, M.,Yariv, E.,Segal, O.,Marom, M.,Loewenstein, A.,Ben-Tal, N.,Giladi, M.,Haitin, Y. 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Nat.Chem.Biol. 2019 15 1156 1164 6HRG 33514861 Structure of Igni18, a novel metallo hydrolase from the hyperthermophilic archaeon Ignicoccus hospitalis KIN4/I 2018-09-26 2019-10-09 Perez-Garcia, P.,Kobus, S.,Gertzen, C.G.W.,Hoeppner, A.,Holzscheck, N.,Strunk, C.H.,Huber, H.,Jaeger, K.E.,Gohlke, H.,Kovacic, F.,Smits, S.H.J.,Streit, W.R.,Chow, J. A promiscuous ancestral enzyme ?s structure unveils protein variable regions of the highly diverse metallo-beta-lactamase family. Commun Biol 2021 4 132 132 6S3G Crystal Structure of lipase from Geobacillus stearothermophilus T6 variant A187C/F291C 2019-06-25 2019-10-09 Gihaz, S.,Bash, Y.,Rush, I.,Shahar, A.,Pazy, Y.,Fishman, A. Bridges to Stability: Engineering Disulfide Bonds Towards Enhanced Lipase Biodiesel Synthesis Chemcatchem 2019 0 0 0 6S6D 31601764 Crystal structure of RagA-Q66L-GTP/RagC-S75N-GDP GTPase heterodimer complex 2019-07-02 2019-10-16 Anandapadamanaban, M.,Masson, G.R.,Perisic, O.,Berndt, A.,Kaufman, J.,Johnson, C.M.,Santhanam, B.,Rogala, K.B.,Sabatini, D.M.,Williams, R.L. Architecture of human Rag GTPase heterodimers and their complex with mTORC1. Science 2019 366 203 210 6HX4 Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin 2018-10-15 2019-10-30 Elliston, E.L.K.,Miranda, E.,Perez, J.,Jagger, A.M.,Irving, J.A.,Lomas, D.A. Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin To Be Published 0 0 0 0 6RZ4 31633023 Crystal structure of cysteinyl leukotriene receptor 1 in complex with pranlukast 2019-06-12 2019-10-30 Luginina, A.,Gusach, A.,Marin, E.,Mishin, A.,Brouillette, R.,Popov, P.,Shiriaeva, A.,Besserer-Offroy, E.,Longpre, J.M.,Lyapina, E.,Ishchenko, A.,Patel, N.,Polovinkin, V.,Safronova, N.,Bogorodskiy, A.,Edelweiss, E.,Hu, H.,Weierstall, U.,Liu, W.,Batyuk, A.,Gordeliy, V.,Han, G.W.,Sarret, P.,Katritch, V.,Borshchevskiy, V.,Cherezov, V. Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs. Sci Adv 2019 5 0 0 6SHO 31692460 SAD structure of Human Survivin recovered by continuous rotation data collection and multivariate analysis of Friedel pairs 2019-08-07 2019-11-06 Garcia-Bonete, M.J.,Katona, G. Bayesian machine learning improves single-wavelength anomalous diffraction phasing. 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Cell Host Microbe 2019 26 623 0 6I1T 31604773 Calcium structure of Trichoderma reesei Carbohydrate-Active Enzymes Family AA12 2018-10-30 2019-11-13 Turbe-Doan, A.,Record, E.,Lombard, V.,Kumar, R.,Levasseur, A.,Henrissat, B.,Garron, M.L. The functional and structural characterization ofTrichoderma reeseidehydrogenase belonging to the PQQ dependent family of Carbohydrate-Active Enzymes Family AA12. Appl.Environ.Microbiol. 2019 0 0 0 6I34 Crystal structure of Neanderthal glycine decarboxylase (P-protein) 2018-11-05 2019-11-20 Van Laer, B.,Kapp, U.,Signor, L.,Leonard, G.,Mueller-Dieckmann, C. Structural insights in human glycine decarboxylase and comparison with the Neanderthal variant To Be Published 0 0 0 0 6O8D Anti-CD28xCD3 CODV Fab bound to CD28 2019-03-09 2019-11-20 Wu, L.,Seung, E.,Xu, L.,Rao, E.,Lord, D.M.,Wei, R.R.,Cortez-Retamozo, V.,Ospina, B.,Posternak, V.,Ulinski, G.,Piepenhagen, P.,Francesconi, E.,El Murr, N.,Beil, C.,Dabdoubi, T.,Cameron, B.,Bertrand, T.,Ferrari, P.,Pouzieux, S.,Lemoine, C.,Prades, C.,Park, A.,Qiu, H.,Song, Z.,Zhang, B.,Sun, F.,Chiron, M.,Rao, S.,Radosevic, K.,Zhi-yong, Y.,Nabel, G.J. Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation To Be Published 0 0 0 0 6Q55 31694928 Crystal structure of Cryptosporidium hominis CPSF3 in complex with Compound 61 2018-12-07 2019-11-20 Swale, C.,Bougdour, A.,Gnahoui-David, A.,Tottey, J.,Georgeault, S.,Laurent, F.,Palencia, A.,Hakimi, M.A. Metal-captured inhibition of pre-mRNA processing activity by CPSF3 controls Cryptosporidium infection. Sci Transl Med 2019 11 0 0 6Q5A 31694928 Crystal structure of Cryptosporidium hominis CPSF3 in the apo form 2018-12-07 2019-11-20 Swale, C.,Bougdour, A.,Gnahoui-David, A.,Tottey, J.,Georgeault, S.,Laurent, F.,Palencia, A.,Hakimi, M.A. Metal-captured inhibition of pre-mRNA processing activity by CPSF3 controls Cryptosporidium infection. Sci Transl Med 2019 11 0 0 6S7N 31702582 Crystal structure of orthorhombic lysozyme grown at pH 5.5 with a 26% of solvent content 2019-07-05 2019-11-20 Salinas-Garcia, M.C.,Plaza-Garrido, M.,Alba-Elena, D.,Camara-Artigas, A. Major conformational changes in the structure of lysozyme obtained from a crystal with a very low solvent content. Acta Crystallogr.,Sect.F 2019 75 687 696 6H5B 31757955 Myxococcus xanthus MglA in complex with its GAP MglB and GTPgammaS 2018-07-24 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 6SYR 31740581 The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with D-glucuronate 2019-10-01 2019-11-27 Mazurkewich, S.,Poulsen, J.N.,Lo Leggio, L.,Larsbrink, J. Structural and biochemical studies of the glucuronoyl esteraseOtCE15A illuminate its interaction with lignocellulosic components. J.Biol.Chem. 2019 294 19978 19987 6RZ6 31811124 Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group) 2019-06-12 2019-12-11 Gusach, A.,Luginina, A.,Marin, E.,Brouillette, R.L.,Besserer-Offroy, E.,Longpre, J.M.,Ishchenko, A.,Popov, P.,Patel, N.,Fujimoto, T.,Maruyama, T.,Stauch, B.,Ergasheva, M.,Romanovskaia, D.,Stepko, A.,Kovalev, K.,Shevtsov, M.,Gordeliy, V.,Han, G.W.,Katritch, V.,Borshchevskiy, V.,Sarret, P.,Mishin, A.,Cherezov, V. Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun 2019 10 5573 5573 6RZ6 31811124 Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (C2221 space group) 2019-06-12 2019-12-11 Gusach, A.,Luginina, A.,Marin, E.,Brouillette, R.L.,Besserer-Offroy, E.,Longpre, J.M.,Ishchenko, A.,Popov, P.,Patel, N.,Fujimoto, T.,Maruyama, T.,Stauch, B.,Ergasheva, M.,Romanovskaia, D.,Stepko, A.,Kovalev, K.,Shevtsov, M.,Gordeliy, V.,Han, G.W.,Katritch, V.,Borshchevskiy, V.,Sarret, P.,Mishin, A.,Cherezov, V. Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. 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J.Biol.Inorg.Chem. 2020 25 863 874 6ZA1 32865640 Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Oxygen gas - structure G491A-O2-hd 2020-06-04 2020-09-09 Zacarias, S.,Temporao, A.,Carpentier, P.,van der Linden, P.,Pereira, I.A.C.,Matias, P.M. Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen. J.Biol.Inorg.Chem. 2020 25 863 874 6YKY 32927028 Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors 2020-04-06 2020-09-23 Gradler, U.,Busch, M.,Leuthner, B.,Raba, M.,Burgdorf, L.,Lehmann, M.,Linde, N.,Esdar, C. Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors. Bioorg.Med.Chem.Lett. 2020 30 127551 127551 6YLC 32927028 Biochemical, Cellular and Structural Characterization of Novel ERK3 Inhibitors 2020-04-07 2020-09-23 Gradler, U.,Busch, M.,Leuthner, B.,Raba, M.,Burgdorf, L.,Lehmann, M.,Linde, N.,Esdar, C. Biochemical, cellular and structural characterization of novel and selective ERK3 inhibitors. Bioorg.Med.Chem.Lett. 2020 30 127551 127551 6R0L 33098724 Histone fold domain of OsGhd8/NF-YC7 in I2 2019-03-13 2020-09-30 Chaves-Sanjuan, A.,Gnesutta, N.,Gobbini, A.,Martignago, D.,Bernardini, A.,Fornara, F.,Mantovani, R.,Nardini, M. Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J. 2021 105 49 61 6R0M 33098724 Histone fold domain of AtNF-YB2/NF-YC3 in P212121 2019-03-13 2020-09-30 Chaves-Sanjuan, A.,Gnesutta, N.,Gobbini, A.,Martignago, D.,Bernardini, A.,Fornara, F.,Mantovani, R.,Nardini, M. Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants. Plant J. 2021 105 49 61 6SQK Crystal structure of mouse PRMT6 with modified H7-4 peptide 2019-09-04 2020-09-30 Bonnefond, L.,Cavarelli, J. Crystal structure of mouse PRMT6 in complex with inhibitors To Be Published 0 0 0 0 6SRB 33450403 Crystal structure of glutathione transferase Omega 3C from Trametes versicolor 2019-09-05 2020-09-30 Perrot, T.,Schwartz, M.,Deroy, A.,Girardet, J.M.,Kohler, A.,Morel-Rouhier, M.,Favier, F.,Gelhaye, E.,Didierjean, C. Diversity of Omega Glutathione Transferases in mushroom-forming fungi revealed by phylogenetic, transcriptomic, biochemical and structural approaches. Fungal Genet Biol. 2021 148 103506 103506 6SUJ Mutations in SsgB correlate to longitudinal cell division during sporulation of Streptomyces coelicolor 2019-09-14 2020-09-30 Xiao, X.S. Mutations in SsgB correlate to longitudinal cell division during sporulation of Streptomyces coelicolor To Be Published 0 0 0 0 5QTG T. brucei FPPS in complex with CID 126782062 2019-08-09 2020-10-07 Muenzker, L. T. brucei FPPS in complex with CID 126782062 To Be Published 0 0 0 0 5QTK T. brucei FPPS in complex with CID 69539 2019-08-09 2020-10-07 Muenzker, L. T. brucei FPPS in complex with CID 69539 To Be Published 0 0 0 0 6Y54 33158970 Crystal structure of a Neisseria meningitidis serogroup A capsular oligosaccharide bound to a functional Fab 2020-02-24 2020-10-07 Henriques, P.,Dello Iacono, L.,Gimeno, A.,Biolchi, A.,Romano, M.R.,Arda, A.,Bernardes, G.J.L.,Jimenez-Barbero, J.,Berti, F.,Rappuoli, R.,Adamo, R. Structure of a protective epitope reveals the importance of acetylation of Neisseria meningitidis serogroup A capsular polysaccharide. Proc.Natl.Acad.Sci.USA 2020 117 29795 29802 7D4A The Crystal Structure of human JMJD2A Tudor domain from Biortus 2020-09-23 2020-10-07 Wang, F.,Lv, Z.,Cheng, W.,Lin, D.,Ju, C.,Bao, X.,Zhu, B. The Crystal Structure of human JMJD2A from Biortus. To Be Published 0 0 0 0 6RMV 33122432 The crystal structure of a TRP channel peptide bound to a G protein beta gamma heterodimer 2019-05-07 2020-10-14 Behrendt, M.,Gruss, F.,Enzeroth, R.,Dembla, S.,Zhao, S.,Crassous, P.A.,Mohr, F.,Nys, M.,Louros, N.,Gallardo, R.,Zorzini, V.,Wagner, D.,Economou, A.,Rousseau, F.,Schymkowitz, J.,Philipp, S.E.,Rohacs, T.,Ulens, C.,Oberwinkler, J. The structural basis for an on-off switch controlling G beta gamma-mediated inhibition of TRPM3 channels. Proc.Natl.Acad.Sci.USA 2020 117 29090 29100 6SWL The REC domain of XynC, a response regulator from Geobacillus stearothermophilus 2019-09-22 2020-10-14 Lansky, S.,Lavid, N.,Shoham, Y.,Shoham, G. The REC domain of XynC, a response regulator from Geobacillus stearothermophilus To Be Published 0 0 0 0 6T0G 33359098 Crystal structure of CYP124 in complex with vitamin D3 2019-10-03 2020-10-14 Varaksa, T.,Bukhdruker, S.,Grabovec, I.,Marin, E.,Kavaleuski, A.,Gusach, A.,Kovalev, K.,Maslov, I.,Luginina, A.,Zabelskii, D.,Astashkin, R.,Shevtsov, M.,Smolskaya, S.,Kavaleuskaya, A.,Shabunya, P.,Baranovsky, A.,Dolgopalets, V.,Charnou, Y.,Savachka, A.,Litvinovskaya, R.,Hurski, A.,Shevchenko, E.,Rogachev, A.,Mishin, A.,Gordeliy, V.,Gabrielian, A.,Hurt, D.E.,Nikonenko, B.,Majorov, K.,Apt, A.,Rosenthal, A.,Gilep, A.,Borshchevskiy, V.,Strushkevich, N. Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol. 2021 433 166763 166763 6T0G 33359098 Crystal structure of CYP124 in complex with vitamin D3 2019-10-03 2020-10-14 Varaksa, T.,Bukhdruker, S.,Grabovec, I.,Marin, E.,Kavaleuski, A.,Gusach, A.,Kovalev, K.,Maslov, I.,Luginina, A.,Zabelskii, D.,Astashkin, R.,Shevtsov, M.,Smolskaya, S.,Kavaleuskaya, A.,Shabunya, P.,Baranovsky, A.,Dolgopalets, V.,Charnou, Y.,Savachka, A.,Litvinovskaya, R.,Hurski, A.,Shevchenko, E.,Rogachev, A.,Mishin, A.,Gordeliy, V.,Gabrielian, A.,Hurt, D.E.,Nikonenko, B.,Majorov, K.,Apt, A.,Rosenthal, A.,Gilep, A.,Borshchevskiy, V.,Strushkevich, N. Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol. 2021 433 166763 166763 6T0H 33359098 Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 2019-10-03 2020-10-14 Varaksa, T.,Bukhdruker, S.,Grabovec, I.,Marin, E.,Kavaleuski, A.,Gusach, A.,Kovalev, K.,Maslov, I.,Luginina, A.,Zabelskii, D.,Astashkin, R.,Shevtsov, M.,Smolskaya, S.,Kavaleuskaya, A.,Shabunya, P.,Baranovsky, A.,Dolgopalets, V.,Charnou, Y.,Savachka, A.,Litvinovskaya, R.,Hurski, A.,Shevchenko, E.,Rogachev, A.,Mishin, A.,Gordeliy, V.,Gabrielian, A.,Hurt, D.E.,Nikonenko, B.,Majorov, K.,Apt, A.,Rosenthal, A.,Gilep, A.,Borshchevskiy, V.,Strushkevich, N. Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol. 2021 433 166763 166763 6T0H 33359098 Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 2019-10-03 2020-10-14 Varaksa, T.,Bukhdruker, S.,Grabovec, I.,Marin, E.,Kavaleuski, A.,Gusach, A.,Kovalev, K.,Maslov, I.,Luginina, A.,Zabelskii, D.,Astashkin, R.,Shevtsov, M.,Smolskaya, S.,Kavaleuskaya, A.,Shabunya, P.,Baranovsky, A.,Dolgopalets, V.,Charnou, Y.,Savachka, A.,Litvinovskaya, R.,Hurski, A.,Shevchenko, E.,Rogachev, A.,Mishin, A.,Gordeliy, V.,Gabrielian, A.,Hurt, D.E.,Nikonenko, B.,Majorov, K.,Apt, A.,Rosenthal, A.,Gilep, A.,Borshchevskiy, V.,Strushkevich, N. Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol. 2021 433 166763 166763 6T0K 33359098 Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole 2019-10-03 2020-10-14 Varaksa, T.,Bukhdruker, S.,Grabovec, I.,Marin, E.,Kavaleuski, A.,Gusach, A.,Kovalev, K.,Maslov, I.,Luginina, A.,Zabelskii, D.,Astashkin, R.,Shevtsov, M.,Smolskaya, S.,Kavaleuskaya, A.,Shabunya, P.,Baranovsky, A.,Dolgopalets, V.,Charnou, Y.,Savachka, A.,Litvinovskaya, R.,Hurski, A.,Shevchenko, E.,Rogachev, A.,Mishin, A.,Gordeliy, V.,Gabrielian, A.,Hurt, D.E.,Nikonenko, B.,Majorov, K.,Apt, A.,Rosenthal, A.,Gilep, A.,Borshchevskiy, V.,Strushkevich, N. Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol. 2021 433 166763 166763 6T0K 33359098 Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole 2019-10-03 2020-10-14 Varaksa, T.,Bukhdruker, S.,Grabovec, I.,Marin, E.,Kavaleuski, A.,Gusach, A.,Kovalev, K.,Maslov, I.,Luginina, A.,Zabelskii, D.,Astashkin, R.,Shevtsov, M.,Smolskaya, S.,Kavaleuskaya, A.,Shabunya, P.,Baranovsky, A.,Dolgopalets, V.,Charnou, Y.,Savachka, A.,Litvinovskaya, R.,Hurski, A.,Shevchenko, E.,Rogachev, A.,Mishin, A.,Gordeliy, V.,Gabrielian, A.,Hurt, D.E.,Nikonenko, B.,Majorov, K.,Apt, A.,Rosenthal, A.,Gilep, A.,Borshchevskiy, V.,Strushkevich, N. Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis. J.Mol.Biol. 2021 433 166763 166763 6ZYL 32965102 non-heme monooxygenase; ThoJ apo 2020-08-02 2020-10-14 Sikandar, A.,Lopatniuk, M.,Luzhetskyy, A.,Koehnke, J. Non-Heme Monooxygenase ThoJ Catalyzes Thioholgamide beta-Hydroxylation. 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Structure of the ternary complex of peptidoglycan recognition protein-short (PGRP-S) To Be Published 0 0 0 0 6YAR 33563593 Crystal structure of a Selenium-derivatized complex of the bacterial cellulose secretion regulators BcsR and BcsQ, crystallized in the presence of AppCp 2020-03-12 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 7D9K 33586762 DNA binding domain of human DNA Ligase IV - Wild type 2020-10-13 2021-02-24 Maddi, E.R.,Raghavan, S.C.,Natesh, R. Hypomorphic mutations in human DNA ligase IV lead to compromised DNA binding efficiency, hydrophobicity and thermal stability. Protein Eng.Des.Sel. 2021 34 0 0 7D9Y 33586762 DNA binding domain of human DNA Ligase IV mutant - A3V 2020-10-14 2021-02-24 Maddi, E.R.,Raghavan, S.C.,Natesh, R. Hypomorphic mutations in human DNA ligase IV lead to compromised DNA binding efficiency, hydrophobicity and thermal stability. Protein Eng.Des.Sel. 2021 34 0 0 6YRS 33767175 Structure of a new variant of GNCA ancestral beta-lactamase 2020-04-20 2021-03-03 Modi, T.,Risso, V.A.,Martinez-Rodriguez, S.,Gavira, J.A.,Mebrat, M.D.,Van Horn, W.D.,Sanchez-Ruiz, J.M.,Banu Ozkan, S. Hinge-shift mechanism as a protein design principle for the evolution of beta-lactamases from substrate promiscuity to specificity. Nat Commun 2021 12 1852 1852 7A9A 33618255 Crystal structure of rubredoxin B (Rv3250c) from Mycobacterium tuberculosis 2020-09-01 2021-03-03 Sushko, T.,Kavaleuski, A.,Grabovec, I.,Kavaleuskaya, A.,Vakhrameev, D.,Bukhdruker, S.,Marin, E.,Kuzikov, A.,Masamrekh, R.,Shumyantseva, V.,Tsumoto, K.,Borshchevskiy, V.,Gilep, A.,Strushkevich, N. A new twist of rubredoxin function in M. tuberculosis. 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Biochemistry 2021 60 1327 1336 6YMO 33744286 Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pS617 peptide 2020-04-09 2021-03-24 Munier, C.C.,De Maria, L.,Edman, K.,Gunnarsson, A.,Longo, M.,MacKintosh, C.,Patel, S.,Snijder, A.,Wissler, L.,Brunsveld, L.,Ottmann, C.,Perry, M.W.D. Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators. J.Biol.Chem. 2021 296 100551 100551 6YOS 33744286 Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pT524 pS617 peptide 2020-04-15 2021-03-24 Munier, C.C.,De Maria, L.,Edman, K.,Gunnarsson, A.,Longo, M.,MacKintosh, C.,Patel, S.,Snijder, A.,Wissler, L.,Brunsveld, L.,Ottmann, C.,Perry, M.W.D. Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators. 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Biochemistry 2021 60 1327 1336 6T1V Structure of PPARg H494Y mutant in complex with GW1929 2019-10-06 2021-04-14 Rochel, N. Structure of a PPARg mutant complex To Be Published 0 0 0 0 6YKG 33783225 Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease 2020-04-06 2021-04-14 Van de Poel, A.,Toledo-Sherman, L.,Breccia, P.,Cachope, R.,Bate, J.R.,Angulo-Herrera, I.,Wishart, G.,Matthews, K.L.,Martin, S.L.,Peacock, M.,Barnard, A.,Cox, H.C.,Jones, G.,McAllister, G.,Vater, H.,Esmieu, W.,Clissold, C.,Lamers, M.,Leonard, P.,Jarvis, R.E.,Blackaby, W.,Eznarriaga, M.,Lazari, O.,Yates, D.,Rose, M.,Jang, S.W.,Munoz-Sanjuan, I.,Dominguez, C. Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease. J.Med.Chem. 2021 64 5018 5036 6YRX 33833098 Low-dose crystal structure of FAP at room temperature 2020-04-20 2021-04-21 Sorigue, D.,Hadjidemetriou, K.,Blangy, S.,Gotthard, G.,Bonvalet, A.,Coquelle, N.,Samire, P.,Aleksandrov, A.,Antonucci, L.,Benachir, A.,Boutet, S.,Byrdin, M.,Cammarata, M.,Carbajo, S.,Cuine, S.,Doak, R.B.,Foucar, L.,Gorel, A.,Grunbein, M.,Hartmann, E.,Hienerwadel, R.,Hilpert, M.,Kloos, M.,Lane, T.J.,Legeret, B.,Legrand, P.,Li-Beisson, Y.,Moulin, S.L.Y.,Nurizzo, D.,Peltier, G.,Schiro, G.,Shoeman, R.L.,Sliwa, M.,Solinas, X.,Zhuang, B.,Barends, T.R.M.,Colletier, J.P.,Joffre, M.,Royant, A.,Berthomieu, C.,Weik, M.,Domratcheva, T.,Brettel, K.,Vos, M.H.,Schlichting, I.,Arnoux, P.,Muller, P.,Beisson, F. Mechanism and dynamics of fatty acid photodecarboxylase. Science 2021 372 0 0 6YWR 33774867 Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148H variant (space group C2) 2020-04-30 2021-04-21 Remeeva, A.,Nazarenko, V.V.,Kovalev, K.,Goncharov, I.M.,Yudenko, A.,Astashkin, R.,Gordeliy, V.,Gushchin, I. Insights into the mechanisms of light-oxygen-voltage domain color tuning from a set of high-resolution X-ray structures. Proteins 2021 0 0 0 7AOT 33843131 The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone 2020-10-15 2021-04-21 Voll, A.M.,Meyners, C.,Taubert, M.C.,Bajaj, T.,Heymann, T.,Merz, S.,Charalampidou, A.,Kolos, J.,Purder, P.L.,Geiger, T.M.,Wessig, P.,Gassen, N.C.,Bracher, A.,Hausch, F. Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity. 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Crystal structure of the C-lobe of lactoferrin produced by limited proteolysis using pepsin at 2.74A resolution To Be Published 0 0 0 0 7AEJ 33871352 Crystal structure of asymmetric HIV-1 gp41 containing all membrane anchors 2020-09-17 2021-05-26 Caillat, C.,Guilligay, D.,Torralba, J.,Friedrich, N.,Nieva, J.L.,Trkola, A.,Chipot, C.J.,Dehez, F.L.,Weissenhorn, W. Structure of HIV-1 gp41 with its membrane anchors targeted by neutralizing antibodies. Elife 2021 10 0 0 7BBM Mutant nitrobindin M75L/H76L/Q96C/M148L (NB4H) from Arabidopsis thaliana with cofactor MnPPIX 2020-12-18 2021-05-26 Sauer, D.F.,Wittwer, M.,Markel, U.,Minges, A.,Spiertz, M.,Schiffels, J.,Davari, M.D.,Groth, G.,Okuda, J.,Schwaneberg, U. Chemogenetic engineering of nitrobindin toward an artificial epoxygenase Catalysis Science And Technolo 2021 0 0 0 7O1S 34048236 Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. 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Crystal structure of pepsin cleaved C-terminal half of lactoferrin at 2.7A resolution To Be Published 0 0 0 0 7NER 34076598 Crystal structure of the v-Src SH3 domain Q128R mutant 2021-02-04 2021-06-02 Salinas-Garcia, M.C.,Plaza-Garrido, M.,Camara-Artigas, A. The impact of oncogenic mutations of the viral Src kinase on the structure and stability of the SH3 domain. Acta Crystallogr D Struct Biol 2021 77 854 866 7NES 34076598 Crystal structure of the v-Src SH3 domain N117D-V124L mutant 2021-02-04 2021-06-02 Salinas-Garcia, M.C.,Plaza-Garrido, M.,Camara-Artigas, A. The impact of oncogenic mutations of the viral Src kinase on the structure and stability of the SH3 domain. Acta Crystallogr D Struct Biol 2021 77 854 866 7NP5 34008974 ROR(gamma)t ligand binding domain in complex with allosteric ligand FM216 2021-02-26 2021-06-02 Meijer, F.A.,Saris, A.O.W.M.,Doveston, R.G.,Oerlemans, G.J.M.,de Vries, R.M.J.M.,Somsen, B.A.,Unger, A.,Klebl, B.,Ottmann, C.,Cossar, P.J.,Brunsveld, L. 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The archaeal triphosphate tunnel metalloenzyme SaTTM defines structural determinants for the diverse activities in the CYTH protein family. J.Biol.Chem. 2021 297 100820 100820 6TKB 35857577 ChiLob 7/4 H2 HC-C224S F(ab')2 2019-11-28 2021-06-09 Orr, C.M.,Fisher, H.,Yu, X.,Chan, C.H.,Gao, Y.,Duriez, P.J.,Booth, S.G.,Elliott, I.,Inzhelevskaya, T.,Mockridge, I.,Penfold, C.A.,Wagner, A.,Glennie, M.J.,White, A.L.,Essex, J.W.,Pearson, A.R.,Cragg, M.S.,Tews, I. Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility. Sci Immunol 2022 7 0 0 7EVQ Crystal structure of C-terminal half of lactoferrin obtained by limited proteolysis using pepsin at 2.6 A resolution 2021-05-21 2021-06-09 Viswanathan, V.,Singh, J.,Sharma, P.,Sharma, S.,Singh, T.P. Crystal structure of C-terminal half of lactoferrin obtained by limited proteolysis using pepsin at 2.6 A resolution To Be Published 0 0 0 0 7KWE 34272366 Crystal structure of the catalytic domain of human PDE3A bound to DNMDP 2020-11-30 2021-06-16 Garvie, C.W.,Wu, X.,Papanastasiou, M.,Lee, S.,Fuller, J.,Schnitzler, G.R.,Horner, S.W.,Baker, A.,Zhang, T.,Mullahoo, J.P.,Westlake, L.,Hoyt, S.H.,Toetzl, M.,Ranaghan, M.J.,de Waal, L.,McGaunn, J.,Kaplan, B.,Piccioni, F.,Yang, X.,Lange, M.,Tersteegen, A.,Raymond, D.,Lewis, T.A.,Carr, S.A.,Cherniack, A.D.,Lemke, C.T.,Meyerson, M.,Greulich, H. Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase. Nat Commun 2021 12 4375 4375 7L27 34272366 Crystal structure of the catalytic domain of human PDE3A 2020-12-16 2021-06-16 Garvie, C.W.,Wu, X.,Papanastasiou, M.,Lee, S.,Fuller, J.,Schnitzler, G.R.,Horner, S.W.,Baker, A.,Zhang, T.,Mullahoo, J.P.,Westlake, L.,Hoyt, S.H.,Toetzl, M.,Ranaghan, M.J.,de Waal, L.,McGaunn, J.,Kaplan, B.,Piccioni, F.,Yang, X.,Lange, M.,Tersteegen, A.,Raymond, D.,Lewis, T.A.,Carr, S.A.,Cherniack, A.D.,Lemke, C.T.,Meyerson, M.,Greulich, H. Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase. Nat Commun 2021 12 4375 4375 7L28 34272366 Crystal structure of the catalytic domain of human PDE3A bound to Trequinsin 2020-12-16 2021-06-16 Garvie, C.W.,Wu, X.,Papanastasiou, M.,Lee, S.,Fuller, J.,Schnitzler, G.R.,Horner, S.W.,Baker, A.,Zhang, T.,Mullahoo, J.P.,Westlake, L.,Hoyt, S.H.,Toetzl, M.,Ranaghan, M.J.,de Waal, L.,McGaunn, J.,Kaplan, B.,Piccioni, F.,Yang, X.,Lange, M.,Tersteegen, A.,Raymond, D.,Lewis, T.A.,Carr, S.A.,Cherniack, A.D.,Lemke, C.T.,Meyerson, M.,Greulich, H. Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase. Nat Commun 2021 12 4375 4375 7L29 34272366 Crystal structure of the catalytic domain of human PDE3A bound to AMP 2020-12-16 2021-06-16 Garvie, C.W.,Wu, X.,Papanastasiou, M.,Lee, S.,Fuller, J.,Schnitzler, G.R.,Horner, S.W.,Baker, A.,Zhang, T.,Mullahoo, J.P.,Westlake, L.,Hoyt, S.H.,Toetzl, M.,Ranaghan, M.J.,de Waal, L.,McGaunn, J.,Kaplan, B.,Piccioni, F.,Yang, X.,Lange, M.,Tersteegen, A.,Raymond, D.,Lewis, T.A.,Carr, S.A.,Cherniack, A.D.,Lemke, C.T.,Meyerson, M.,Greulich, H. Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase. Nat Commun 2021 12 4375 4375 7BGF 34129781 CRYSTAL STRUCTURE OF THE N-TERMINAL DIMERIC COILED COIL OF THE HUMAN CTIP PROTEIN 2021-01-07 2021-06-30 Morton, C.R.,Rzechorzek, N.J.,Maman, J.D.,Kuramochi, M.,Sekiguchi, H.,Rambo, R.,Sasaki, Y.C.,Davies, O.R.,Pellegrini, L. Structural basis for the coiled-coil architecture of human CtIP. Open Biology 2021 11 210060 210060 7NOU Crystal structure of Mycobacterium tuberculosis ArgF in complex with (3,5-dichlorophenyl)boronic acid. 2021-02-25 2021-06-30 Gupta, P.,Thomas, S.E.,Zaidan, S.A.,Pasillas, M.A.,Cory-Wright, J.,Sebastian-Perez, V.,Burgess, A.,Cattermole, E.,Meghir, C.,Abell, C.,Coyne, A.G.,Jacobs, W.R.,Blundell, T.L.,Tiwari, S.,Mendes, V. A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J 2021 19 3491 3506 7NOV Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-methyl-3-nitrophenyl)boronic acid. 2021-02-26 2021-06-30 Gupta, P.,Thomas, S.E.,Zaidan, S.A.,Pasillas, M.A.,Cory-Wright, J.,Sebastian-Perez, V.,Burgess, A.,Cattermole, E.,Meghir, C.,Abell, C.,Coyne, A.G.,Jacobs, W.R.,Blundell, T.L.,Tiwari, S.,Mendes, V. A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J 2021 19 3491 3506 7NP0 Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-nitrophenyl)boronic acid. 2021-02-26 2021-06-30 Gupta, P.,Thomas, S.E.,Zaidan, S.A.,Pasillas, M.A.,Cory-Wright, J.,Sebastian-Perez, V.,Burgess, A.,Cattermole, E.,Meghir, C.,Abell, C.,Coyne, A.G.,Jacobs, W.R.,Blundell, T.L.,Tiwari, S.,Mendes, V. A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis Comput Struct Biotechnol J 2021 19 3491 3506 7OO9 34153684 Structure of Chloroflexus islandicus LOV domain C85A variant (CisFbFP) 2021-05-26 2021-06-30 Goncharov, I.M.,Smolentseva, A.,Semenov, O.,Natarov, I.,Nazarenko, V.V.,Yudenko, A.,Remeeva, A.,Gushchin, I. High-resolution structure of a naturally red-shifted LOV domain. Biochem.Biophys.Res.Commun. 2021 567 143 147 7BMH 34193947 Crystal structure of a light-driven proton pump LR (Mac) from Leptosphaeria maculans 2021-01-20 2021-07-07 Zabelskii, D.,Dmitrieva, N.,Volkov, O.,Shevchenko, V.,Kovalev, K.,Balandin, T.,Soloviov, D.,Astashkin, R.,Zinovev, E.,Alekseev, A.,Round, E.,Polovinkin, V.,Chizhov, I.,Rogachev, A.,Okhrimenko, I.,Borshchevskiy, V.,Chupin, V.,Buldt, G.,Yutin, N.,Bamberg, E.,Koonin, E.,Gordeliy, V. Structure-based insights into evolution of rhodopsins. Commun Biol 2021 4 821 821 7BF2 34235492 Ca2+-Calmodulin in complex with human muscle form creatine kinase peptide in extended 1:2 binding mode 2020-12-31 2021-07-21 Sprenger, J.,Trifan, A.,Patel, N.,Vanderbeck, A.,Bredfelt, J.,Tajkhorshid, E.,Rowlett, R.,Lo Leggio, L.,Akerfeldt, K.S.,Linse, S. Calmodulin complexes with brain and muscle creatine kinase peptides. Curr Res Struct Biol 2021 3 121 132 7O77 34245266 Structure of the PL6 family alginate lyase Patl3640 from Pseudoalteromonas atlantica T6c 2021-04-13 2021-07-28 Violot, S.,Galisson, F.,Carrique, L.,Jugnarain, V.,Conchou, L.,Robert, X.,Thureau, A.,Helbert, W.,Aghajari, N.,Ballut, L. Exploring molecular determinants of polysaccharide lyase family 6-1 enzyme activity. Glycobiology 2021 31 1557 1570 7O79 34245266 Structure of the PL6 family polysaccharide lyase Pedsa3628 from Pseudopedobacter saltans 2021-04-13 2021-07-28 Violot, S.,Galisson, F.,Carrique, L.,Jugnarain, V.,Conchou, L.,Robert, X.,Thureau, A.,Helbert, W.,Aghajari, N.,Ballut, L. Exploring molecular determinants of polysaccharide lyase family 6-1 enzyme activity. Glycobiology 2021 31 1557 1570 7OSZ 34360555 Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4d 2021-06-09 2021-07-28 Pang, L.,Weeks, S.D.,Juhas, M.,Strelkov, S.V.,Zitko, J.,Van Aerschot, A. Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci 2021 22 0 0 7OT0 34360555 Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4h 2021-06-09 2021-07-28 Pang, L.,Weeks, S.D.,Juhas, M.,Strelkov, S.V.,Zitko, J.,Van Aerschot, A. Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci 2021 22 0 0 7A0T Crystal structure of kievitone hydratase from Nectria haematococca (P21 SG) 2020-08-10 2021-08-18 Pavkov-Keller, T.,Steinkellner, G.,Engleder, M.,Schuermann, M.,Blasl, H.,Pichler, H.,Gruber, K. Structural analysis and reaction mechanism of kievitone hydratase from Nectria haematococca to be published 0 0 0 0 7A2M Crystal structure of the Fyn SH3 domain A95S-D99T mutant in C21 space group 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain A95S-D99T mutant in C21 space group To be published 0 0 0 0 7A2N Crystal structure of the Fyn SH3 domain A95S-D99T mutant in space group P21 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the Fyn SH3 domain A95S-D99T mutant in space group P21 To be published 0 0 0 0 7A36 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 7 M urea 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 7 M urea To be published 0 0 0 0 7A37 Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 3 M urea 2020-08-18 2021-08-25 Camara-Artigas, A.,Plaza-Garrido, M.,Salinas-Garcia, M.C. Crystal structure of the c-Src SH3 domain mutant V111L-N113S-T114S in 3 M urea To be published 0 0 0 0 7ORC 34415167 Human Aldehyde Oxidase in complex with Raloxifene 2021-06-05 2021-09-01 Mota, C.,Diniz, A.,Coelho, C.,Santos-Silva, T.,Esmaeeli, M.,Leimkuhler, S.,Cabrita, E.J.,Marcelo, F.,Romao, M.J. Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem. 2021 64 13025 13037 7O0N 34562373 Crystal structure of a ParB E93A mutant from Myxococcus xanthus bound to CDP and monothiophosphate 2021-03-26 2021-09-15 Osorio-Valeriano, M.,Altegoer, F.,Das, C.K.,Steinchen, W.,Panis, G.,Connolley, L.,Giacomelli, G.,Feddersen, H.,Corrales-Guerrero, L.,Giammarinaro, P.I.,Hanssmann, J.,Bramkamp, M.,Viollier, P.H.,Murray, S.,Schafer, L.V.,Bange, G.,Thanbichler, M. The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes. Mol.Cell 2021 81 3992 0 7AWG 34530376 Crystal structure of human butyrylcholinesterase in complex with (2-((1-(benzenesulfonyl)-1H-indol-4-yl)oxy)ethyl)(benzyl)amine 2020-11-08 2021-09-29 Wichur, T.,Godyn, J.,Goral, I.,Latacz, G.,Bucki, A.,Siwek, A.,Gluch-Lutwin, M.,Mordyl, B.,Sniecikowska, J.,Walczak, M.,Knez, D.,Jukic, M.,Salat, K.,Gobec, S.,Kolaczkowski, M.,Malawska, B.,Brazzolotto, X.,Wieckowska, A. Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT 6 R antagonists with beta-amyloid anti-aggregation properties. Eur.J.Med.Chem. 2021 225 113792 113792 7POR 34510892 PI3 kinase delta in complex with N-[2-(2-fluoro-4-{[4-(propan-2-yl)piperazin-1-yl]methyl}phenyl)pyridin-4-yl]-2-methoxy-5-(morpholin-4-yl)pyridine-3-sulfonamide 2021-09-09 2021-09-29 Down, K.,Amour, A.,Anderson, N.A.,Barton, N.,Campos, S.,Cannons, E.P.,Clissold, C.,Convery, M.A.,Coward, J.J.,Doyle, K.,Duempelfeld, B.,Edwards, C.D.,Goldsmith, M.D.,Krause, J.,Mallett, D.N.,McGonagle, G.A.,Patel, V.K.,Rowedder, J.,Rowland, P.,Sharpe, A.,Sriskantharajah, S.,Thomas, D.A.,Thomson, D.W.,Uddin, S.,Hamblin, J.N.,Hessel, E.M. Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3K delta with a Novel Binding Mode. J.Med.Chem. 2021 64 13780 13792 6EOY 34555615 Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline 2017-10-10 2021-10-06 Cotrina, E.Y.,Santos, L.M.,Rivas, J.,Blasi, D.,Leite, J.P.,Liz, M.A.,Busquets, M.A.,Planas, A.,Prohens, R.,Gimeno, A.,Jimenez-Barbero, J.,Gales, L.,Llop, J.,Quintana, J.,Cardoso, I.,Arsequell, G. Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease. Eur.J.Med.Chem. 2021 226 113847 113847 7A6G Structural characterization of L-proline amide hydrolase from Pseudomonas syringae 2020-08-25 2021-10-06 Martinez-Rodriguez, S.,Contreras-Montoya, R.,Torres, J.M.,de Cienfuegos, L.A.,Gavira, J.A. A New L-Proline Amide Hydrolase with Potential Application within the Amidase Process Crystals 2022 12 0 0 7O07 34476063 14-3-3sigma covalently bound to peptide (chloroacetamide-Cys interaction) 2021-03-25 2021-10-13 Tivon, B.,Gabizon, R.,Somsen, B.A.,Cossar, P.J.,Ottmann, C.,London, N. Covalent flexible peptide docking in Rosetta. Chem Sci 2021 12 10836 10847 7OET 34251219 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,5-dimethyl-N-(2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl)-6-oxo-N-(2-phenyl-2-(pyridin-2-yl)ethyl)-1,6-dihydropyridine-3-carboxamide 2021-09-21 2021-10-13 Rianjongdee, F.,Atkinson, S.J.,Chung, C.W.,Grandi, P.,Gray, J.R.J.,Kaushansky, L.J.,Medeiros, P.,Messenger, C.,Phillipou, A.,Preston, A.,Prinjha, R.K.,Rioja, I.,Satz, A.L.,Taylor, S.,Wall, I.D.,Watson, R.J.,Yao, G.,Demont, E.H. Discovery of a Highly Selective BET BD2 Inhibitor from a DNA-Encoded Library Technology Screening Hit. J.Med.Chem. 2021 64 10806 10833 7AMX 34726168 The crystal structure of gene product PA4063 from Pseudomonas aeruginosa in complex with zinc 2020-10-09 2021-10-20 Fiorillo, A.,Battistoni, A.,Ammendola, S.,Secli, V.,Rinaldo, S.,Cutruzzola, F.,Demitri, N.,Ilari, A. Structure and metal-binding properties of PA4063, a novel player in periplasmic zinc trafficking by Pseudomonas aeruginosa. Acta Crystallogr D Struct Biol 2021 77 1401 1410 7APS 34820091 The Fk1 domain of FKBP51 in complex with (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid 2020-10-19 2021-11-03 Kolos, J.M.,Pomplun, S.,Jung, S.,Riess, B.,Purder, P.L.,Voll, A.M.,Merz, S.,Gnatzy, M.,Geiger, T.M.,Quist-Lokken, I.,Jatzlau, J.,Knaus, P.,Holien, T.,Bracher, A.,Meyners, C.,Czodrowski, P.,Krewald, V.,Hausch, F. Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides. Chem Sci 2021 12 14758 14765 7B4S 34508141 Structure of the 4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus in complex with Coenzyme A and compound 153786 from the NCI Open Database 2020-12-02 2021-11-10 Carivenc, C.,Maveyraud, L.,Blanger, C.,Ballereau, S.,Roy-Camille, C.,Nguyen, M.C.,Genisson, Y.,Guilhot, C.,Chalut, C.,Pedelacq, J.D.,Mourey, L. Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds. Sci Rep 2021 11 18042 18042 7PAW 34742013 MALT1 in complex with compound 1 2021-07-30 2021-11-17 Schiesser, S.,Hajek, P.,Pople, H.E.,Kack, H.,Oster, L.,Cox, R.J. Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors. Eur.J.Med.Chem. 2021 227 113925 113925 7EXI Crystal structure of the BTB domain human Keap1 2021-05-27 2021-12-01 Padmanabhan, B.,Deshmukh, P.,Gopinath, K.,Unni, S. Crystal structure of the BTB domain human Keap1 To Be Published 0 0 0 0 7BCY 34850113 X-ray structure of WDR5delta24 bound to the Kaposi's sarcoma herpesvirus LANA win motif peptide 2020-12-21 2021-12-08 Tan, M.,Li, S.,Juillard, F.,Chitas, R.,Custodio, T.F.,Xue, H.,Szymula, A.,Sun, Q.,Liu, B.,Alvarez, A.L.,Chen, S.,Huang, J.,Simas, J.P.,McVey, C.E.,Kaye, K.M. MLL1 is regulated by KSHV LANA and is important for virus latency. Nucleic Acids Res. 2021 49 12895 12911 7PPP 35580610 Crystal structure of ZAD-domain of ZNF_276 protein from rabbit. 2021-09-14 2021-12-08 Bonchuk, A.N.,Boyko, K.M.,Nikolaeva, A.Y.,Burtseva, A.D.,Popov, V.O.,Georgiev, P.G. Structural insights into highly similar spatial organization of zinc-finger associated domains with a very low sequence similarity. Structure 2022 30 1004 0 7FHR 34800435 Crystal Structure of a Rieske Oxygenase from Cupriavidus metallidurans 2021-07-30 2021-12-15 Mahto, J.K.,Neetu, N.,Waghmode, B.,Kuatsjah, E.,Sharma, M.,Sircar, D.,Sharma, A.K.,Tomar, S.,Eltis, L.D.,Kumar, P. Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni. J.Biol.Chem. 2021 297 101416 101416 7FJL 34800435 Crystal Structure of phthalate dioxygenase from Comamonas testosteroni KF1 2021-08-04 2021-12-15 Mahto, J.K.,Neetu, N.,Waghmode, B.,Kuatsjah, E.,Sharma, M.,Sircar, D.,Sharma, A.K.,Tomar, S.,Eltis, L.D.,Kumar, P. Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni. J.Biol.Chem. 2021 297 101416 101416 7DOB Crystal structure of Catabolite repressor activator (Apo) 2020-12-13 2021-12-22 Neetu, N.,Katiki, M.,Kumar, P. Crystal structure of Catabolite repressor activator (Apo) To Be Published 0 0 0 0 7EJW 34669473 Crystal structure of FleN in complex with FleQ AAA+ doamain 2021-04-02 2021-12-22 Banerjee, P.,Raghav, S.,Goswami, H.N.,Jain, D. The antiactivator FleN uses an allosteric mechanism to regulate sigma 54 -dependent expression of flagellar genes in Pseudomonas aeruginosa . Sci Adv 2021 7 0 0 7NYK 35173330 SH3 domain of JNK-interacting Protein 1 (JIP1) 2021-03-22 2021-12-22 Marino Perez, L.,Ielasi, F.S.,Bessa, L.M.,Maurin, D.,Kragelj, J.,Blackledge, M.,Salvi, N.,Bouvignies, G.,Palencia, A.,Jensen, M.R. Visualizing protein breathing motions associated with aromatic ring flipping. Nature 2022 602 695 700 7OON The X-ray structure of heme-bound murine HEBP1 2021-05-28 2022-01-26 Goodfellow, B.J.,Freire, F.,Carvalho, A.L.,Aveiro, S.S.,Charbonnier, P.,Moulis, J.M.,Delgado, L.,Ferreira, G.C.,Rodrigues, J.E.,Poussin-Courmontagne, P.,Birck, C.,McEwen, A.,Macedo, A.L. The SOUL family of heme-binding proteins: Structure and function 15 years later Coord. Chem. Rev 2021 448 214189 0 7O9F 35217658 Bacillus subtilis Ffh in complex with ppGpp 2021-04-16 2022-02-02 Czech, L.,Mais, C.N.,Kratzat, H.,Sarmah, P.,Giammarinaro, P.,Freibert, S.A.,Esser, H.F.,Musial, J.,Berninghausen, O.,Steinchen, W.,Beckmann, R.,Koch, H.G.,Bange, G. Inhibition of SRP-dependent protein secretion by the bacterial alarmone (p)ppGpp. Nat Commun 2022 13 1069 1069 7OIY 35058438 Crystal structure of the ZUFSP family member Mug105 2021-05-12 2022-02-02 Hermanns, T.,Pichlo, C.,Baumann, U.,Hofmann, K. A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family. Nat Commun 2022 13 401 401 7PUF urate oxidase azaxanthine complex under 600 bar (60 MPa) of argon 2021-09-29 2022-02-09 Prange, T.,Carpentier, P.,Dhaussy, A.C.,Girard, E.,Colloc'h, N. Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D 2022 78 162 173 7PWN URATE OXYDASE AZA-XANTHINE COMPLEX AT 1000 BARS (100 MPa) OF ARGON 2021-10-07 2022-02-09 Prange, T.,Carpentier, P.,Dhaussy, A.C.,Girard, E.,Colloc'h, N. Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. D 2022 78 162 173 7Q09 URATE OXIDASE AZA-XANTHINE COMPLEX UNDER 1500 BAR OF ARGON 2021-10-14 2022-02-09 Prange, T.,Carpentier, P.,Dhaussy, A.C.,Girard, E.,Colloc'h, N. Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization Acta Cryst. 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Structural basis for mucin-type O-glycan recognition by proteins of a Bacteroides thetaiotaomicron polysaccharide utilization loci To Be Published 0 0 0 0 7BLL Structure of SusD homologue BT3013 from Bacteroides thetaiotaomicron 2021-01-18 2022-03-02 Costa, R.L.,Correia, V.G. Structural basis for mucin-type O-glycan recognition by proteins of a Bacteroides thetaiotaomicron polysaccharide utilization loci To Be Published 0 0 0 0 7LVJ 34963199 CASP8 isoform G DED domain 2021-02-25 2022-03-02 Ansalone, C.,Ainsworth, R.I.,Nygaard, G.,Ai, R.,Prideaux, E.B.,Hammaker, D.,Perumal, N.B.,Weichert, K.,Tung, F.,Kodandapani, L.,Sauder, J.M.,Mertsching, E.C.,Benschop, R.J.,Boyle, D.L.,Wang, W.,Firestein, G.S. Caspase-8 Variant G Regulates Rheumatoid Arthritis Fibroblast-Like Synoviocyte Aggressive Behavior. ACR Open Rheumatol 2022 4 288 299 7NKE 36750942 Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment 2021-02-17 2022-03-02 Ren, X.M.,Chang, R.C.,Huang, Y.,Amorim Amato, A.,Carivenc, C.,Grimaldi, M.,Kuo, Y.,Balaguer, P.,Bourguet, W.,Blumberg, B. 2,4-Di-tert-butylphenol Induces Adipogenesis in Human Mesenchymal Stem Cells by Activating Retinoid X Receptors. Endocrinology 2023 164 0 0 7P99 35383180 Structure of human USPL1 in complex with SUMO2 2021-07-26 2022-03-02 Li, Y.,Varejao, N.,Reverter, D. Structural basis for the SUMO protease activity of the atypical ubiquitin-specific protease USPL1. Nat Commun 2022 13 1819 1819 7QFE 35163693 Crystal structure of Human Serum albumin in complex with Gemfibrozil 2021-12-05 2022-03-02 Liberi, S.,Linciano, S.,Moro, G.,De Toni, L.,Cendron, L.,Angelini, A. Structural Analysis of Human Serum Albumin in Complex with the Fibrate Drug Gemfibrozil. Int J Mol Sci 2022 23 0 0 7P6S 35273390 Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) 2021-07-17 2022-03-16 Stsiapanava, A.,Xu, C.,Nishio, S.,Han, L.,Yamakawa, N.,Carroni, M.,Tunyasuvunakool, K.,Jumper, J.,de Sanctis, D.,Wu, B.,Jovine, L. Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol. 2022 29 190 193 7PKJ 35242116 Streptococcus pyogenes apo GapN 2021-08-25 2022-03-16 Eisenberg, P.,Albert, L.,Teuffel, J.,Zitzow, E.,Michaelis, C.,Jarick, J.,Sehlke, C.,Grosse, L.,Bader, N.,Nunes-Alves, A.,Kreikemeyer, B.,Schindelin, H.,Wade, R.C.,Fiedler, T. The Non-phosphorylating Glyceraldehyde-3-Phosphate Dehydrogenase GapN Is a Potential New Drug Target in Streptococcus pyogenes. 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J.Bacteriol. 2022 204 0 0 7WT6 Crystal structure of full-length peptidyl-tRNA hydrolase from Mycobacterium tuberculosis 2022-02-04 2022-04-13 Kulandaisamy, R.,Das, U.,Inampudi, K.K. Crystal structure of full-length peptidyl-tRNA hydrolase from Mycobacterium tuberculosis To Be Published 0 0 0 0 7OD9 35606361 Crystal structure of activated CheY fused to the C-terminal domain of CheF 2021-04-29 2022-04-27 Altegoer, F.,Quax, T.E.F.,Weiland, P.,Nussbaum, P.,Giammarinaro, P.I.,Patro, M.,Li, Z.,Oesterhelt, D.,Grininger, M.,Albers, S.V.,Bange, G. Structural insights into the mechanism of archaellar rotational switching. Nat Commun 2022 13 2857 2857 7QG2 35439688 IRAK4 in complex with inhibitor 2021-12-07 2022-05-04 Cumming, I.A.,Degorce, S.L.,Aagaard, A.,Braybrooke, E.L.,Davies, N.L.,Diene, C.R.,Eatherton, A.J.,Felstead, H.R.,Groombridge, S.D.,Lenz, E.M.,Li, Y.,Nai, Y.,Pearson, S.,Robb, G.R.,Scott, J.S.,Steward, O.R.,Wu, C.,Xue, Y.,Zhang, L.,Zhang, Y. 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Rsc Med Chem 2022 13 343 349 7PVH 35065963 Crystal structure of the folded domain of PorN 2021-10-04 2022-05-18 Fuchsbauer, O.,Lunar Silva, I.,Cascales, E.,Roussel, A.,Leone, P. Structural and functional analyses of the Porphyromonas gingivalis type IX secretion system PorN protein. J.Biol.Chem. 2022 298 101618 101618 7WCJ 35775983 Crystal structure LpqY from Mycobacterium tuberculosis 2021-12-20 2022-05-18 Sharma, D.,Singh, M.,Kaur, P.,Das, U. Structural analysis of LpqY, a substrate-binding protein from the SugABC transporter of Mycobacterium tuberculosis, provides insights into its trehalose specificity. Acta Crystallogr D Struct Biol 2022 78 835 845 7WDA 35775983 Crystal structure LpqY in complex with Trehalose from Mycobacterium tuberculosis 2021-12-21 2022-05-18 Sharma, D.,Singh, M.,Kaur, P.,Das, U. Structural analysis of LpqY, a substrate-binding protein from the SugABC transporter of Mycobacterium tuberculosis, provides insights into its trehalose specificity. Acta Crystallogr D Struct Biol 2022 78 835 845 6Z1B Structure of K52-acetylated RutR in complex with uracil. 2020-05-13 2022-06-01 Kremer, M.,Schulze, S.,Baumann, U. Structure of K52-acetylated RutR in complex with uracil. To Be Published 0 0 0 0 7F7Y 35561142 Crystal Structure of protein PitB from pilus islet-2 of Streptococcus pneumoniae 2021-06-30 2022-06-01 Yadav, R.K.,Krishnan, V. New structural insights into the PI-2 pilus from Streptococcus oralis, an early dental plaque colonizer. Febs J. 2022 289 6342 6366 7PAY 35584224 Structure of the human heterotetrameric cis-prenyltransferase complex in complex with magnesium and GGsPP 2021-07-30 2022-06-01 Giladi, M.,Lisnyansky Bar-El, M.,Vankova, P.,Ferofontov, A.,Melvin, E.,Alkaderi, S.,Kavan, D.,Redko, B.,Haimov, E.,Wiener, R.,Man, P.,Haitin, Y. Structural basis for long-chain isoprenoid synthesis by cis -prenyltransferases. 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Febs J. 2022 289 6342 6366 7X0F 35354859 Structure of Pseudomonas NRPS protein, AmbB-TC bound to Ppant 2022-02-22 2022-06-15 Chu Yuan Kee, M.J.,Bharath, S.R.,Wee, S.,Bowler, M.W.,Gunaratne, J.,Pan, S.,Zhang, L.,Song, H. Structural insights into the substrate-bound condensation domains of non-ribosomal peptide synthetase AmbB. Sci Rep 2022 12 5353 5353 7B6C 35974998 BK Polyomavirus VP1 pentamer fusion with long C-terminal extended arm 2020-12-07 2022-06-22 Osipov, E.M.,Munawar, A.H.,Beelen, S.,Fearon, D.,Douangamath, A.,Wild, C.,Weeks, S.D.,Van Aerschot, A.,von Delft, F.,Strelkov, S.V. Discovery of novel druggable pockets on polyomavirus VP1 through crystallographic fragment-based screening to develop capsid assembly inhibitors. Rsc Chem Biol 2022 3 1013 1027 7OQG Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ136 2021-06-03 2022-06-22 Centorrino, F.,Wu, Q.,Cossar, P.,Brunsveld, L.,Ottmann, C. 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A crystallography-based study of fragment extensions into the 14-3-3 binding groove To Be Published 0 0 0 0 7OW1 34776512 Crystal Structure of TAP01 in complex with amyloid beta peptide 2021-06-16 2022-06-29 Bakrania, P.,Hall, G.,Bouter, Y.,Bouter, C.,Beindorff, N.,Cowan, R.,Davies, S.,Price, J.,Mpamhanga, C.,Love, E.,Matthews, D.,Carr, M.D.,Bayer, T.A. Discovery of a novel pseudo beta-hairpin structure of N-truncated amyloid-beta for use as a vaccine against Alzheimer's disease. Mol Psychiatry 2022 27 840 848 7R4J 35868311 Crystal structure of human mitochondrial NAD kinase 2022-02-08 2022-07-06 Mary, C.,Soflaee, M.H.,Kesavan, R.,Gelin, M.,Brown, H.,Zacharias, G.,Mathews, T.P.,Lemoff, A.,Lionne, C.,Labesse, G.,Hoxhaj, G. Crystal structure of human NADK2 reveals a dimeric organization and active site occlusion by lysine acetylation. 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Acta Crystallogr D Struct Biol 2022 78 669 682 7R49 35907949 Crystal structure of the L. plantarum acyl carrier protein synthase (AcpS)in complex with D-alanyl carrier protein (DltC1) 2022-02-08 2022-08-03 Nikolopoulos, N.,Matos, R.C.,Courtin, P.,Ayala, I.,Akherraz, H.,Simorre, J.P.,Chapot-Chartier, M.P.,Leulier, F.,Ravaud, S.,Grangeasse, C. DltC acts as an interaction hub for AcpS, DltA and DltB in the teichoic acid D-alanylation pathway of Lactiplantibacillus plantarum. Sci Rep 2022 12 13133 13133 7R0O 35941867 Structure of a cytosolic sulfotransferase of Anopheles gambiae (AGAP001425). 2022-02-02 2022-08-10 Esposito Verza, A.,Miggiano, R.,Lombardo, F.,Fiorillo, C.,Arca, B.,Purghe, B.,Del Grosso, E.,Galli, U.,Rizzi, M.,Rossi, F. Biochemical and structural analysis of a cytosolic sulfotransferase of the malaria vector Anopheles gambiae overexpressed in the reproductive tissues. Curr Res Struct Biol 2022 4 246 255 7XTF 35912344 Crystal Structure of PL-5 family polysaccharide lyase PanPL-Y226F mutant from Pandoraea apista in apo form at pH5.5 2022-05-17 2022-08-10 Dash, P.,Acharya, R. Distinct Modes of Hidden Structural Dynamics in the Functioning of an Allosteric Polysaccharide Lyase. Acs Cent.Sci. 2022 8 933 947 7Z9D 35906527 Deinococcus radiodurans BphP PAS-GAF H260A mutant 2022-03-21 2022-08-10 Lehtivuori, H.,Rumfeldt, J.,Mustalahti, S.,Kurkinen, S.,Takala, H. Conserved histidine and tyrosine determine spectral responses through the water network in Deinococcus radiodurans phytochrome. Photochem Photobiol Sci 2022 21 1975 1989 7Z9E 35906527 Deinococcus radiodurans BphP PAS-GAF H260A/Y263F mutant 2022-03-21 2022-08-10 Lehtivuori, H.,Rumfeldt, J.,Mustalahti, S.,Kurkinen, S.,Takala, H. Conserved histidine and tyrosine determine spectral responses through the water network in Deinococcus radiodurans phytochrome. 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Nat Commun 2022 13 4446 4446 7QPO 35891782 Crystal structure of human trans-3-Hydroxy-L-proline dehydratase 2022-01-05 2022-08-17 Ferrario, E.,Miggiano, R.,Rizzi, M.,Ferraris, D.M. The integration of AlphaFold-predicted and crystal structures of human trans -3-hydroxy-l-proline dehydratase reveals a regulatory catalytic mechanism. Comput Struct Biotechnol J 2022 20 3874 3883 7PDV 37454201 Crystal structure of RBM5 RRM1-zinc finger in complex with RNA 2021-08-08 2022-08-24 Soni, K.,Jagtap, P.K.A.,Martinez-Lumbreras, S.,Bonnal, S.,Geerlof, A.,Stehle, R.,Simon, B.,Valcarcel, J.,Sattler, M. Structural basis for specific RNA recognition by the alternative splicing factor RBM5. Nat Commun 2023 14 4233 4233 7PEG 34808342 Structure of the sporulation/germination protein YhcN from Bacillus subtilis 2021-08-10 2022-08-24 Liu, B.,Chan, H.,Bauda, E.,Contreras-Martel, C.,Bellard, L.,Villard, A.M.,Mas, C.,Neumann, E.,Fenel, D.,Favier, A.,Serrano, M.,Henriques, A.O.,Rodrigues, C.D.A.,Morlot, C. 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Bioorg.Chem. 2023 134 106465 106465 7QHE 36933339 Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide 2021-12-12 2022-12-21 Jing, L.,Wei, W.,Meng, B.,Chantegreil, F.,Nachon, F.,Martinez, A.,Wu, G.,Zhao, H.,Song, Y.,Kang, D.,Brazzolotto, X.,Zhan, P.,Liu, X. Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem. 2023 134 106465 106465 7ZB9 36601808 Crystal structure of CYP124 in complex with inhibitor carbethoxyhexyl imidazole in the absence of glycerol (NoCryo) 2022-03-23 2023-01-11 Bukhdruker, S.,Varaksa, T.,Orekhov, P.,Grabovec, I.,Marin, E.,Kapranov, I.,Kovalev, K.,Astashkin, R.,Kaluzhskiy, L.,Ivanov, A.,Mishin, A.,Rogachev, A.,Gordeliy, V.,Gilep, A.,Strushkevich, N.,Borshchevskiy, V. 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Bioorg.Chem. 2023 138 106602 106602 8CJE 37314407 AetF, a single-component flavin-dependent tryptophan halogenase, in complex with L-tryptophan 2023-02-13 2023-06-14 Gafe, S.,Niemann, H.H. Structural basis of regioselective tryptophan dibromination by the single-component flavin-dependent halogenase AetF. Acta Crystallogr D Struct Biol 2023 79 596 609 8CJF 37314407 AetF, a single-component flavin-dependent tryptophan halogenase, in complex with 5-bromo-L-tryptophan 2023-02-13 2023-06-14 Gafe, S.,Niemann, H.H. Structural basis of regioselective tryptophan dibromination by the single-component flavin-dependent halogenase AetF. Acta Crystallogr D Struct Biol 2023 79 596 609 8A12 37308472 Plasmodium falciparum Myosin A full-length, post-rigor state complexed to Mg.ATP-gamma-S 2022-05-31 2023-06-21 Moussaoui, D.,Robblee, J.P.,Robert-Paganin, J.,Auguin, D.,Fisher, F.,Fagnant, P.M.,Macfarlane, J.E.,Schaletzky, J.,Wehri, E.,Mueller-Dieckmann, C.,Baum, J.,Trybus, K.M.,Houdusse, A. Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Nat Commun 2023 14 3463 3463 8AIN 37376646 MCUGI SAUNG complex 2022-07-26 2023-06-21 Muselmani, W.,Kashif-Khan, N.,Bagneris, C.,Santangelo, R.,Williams, M.A.,Savva, R. A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase. Viruses 2023 15 0 0 8CDQ 37308472 Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S 2023-01-31 2023-06-21 Moussaoui, D.,Robblee, J.P.,Robert-Paganin, J.,Auguin, D.,Fisher, F.,Fagnant, P.M.,Macfarlane, J.E.,Schaletzky, J.,Wehri, E.,Mueller-Dieckmann, C.,Baum, J.,Trybus, K.M.,Houdusse, A. Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Nat Commun 2023 14 3463 3463 8CQF 37379391 Crystal Structure of a Chimeric Alpha-Amylase from Pseudoalteromonas Haloplanktis Complexed with Rearranged Acarbose 2023-03-06 2023-06-21 van der Ent, F.,Skagseth, S.,Lund, B.A.,Socan, J.,Griese, J.J.,Brandsdal, B.O.,Aqvist, J. Computational design of the temperature optimum of an enzyme reaction. Sci Adv 2023 9 0 0 8OIJ 37523566 Drosophila Smaug-Smoothened complex 2023-03-23 2023-06-21 Kubikova, J.,Ubartaite, G.,Metz, J.,Jeske, M. Structural basis for binding of Drosophila Smaug to the GPCR Smoothened and to the germline inducer Oskar. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8C7T 37326020 Unliganded transcriptional pleiotropic repressor CodY from Enterococcus faecalis 2023-01-17 2023-06-28 Hainzl, T.,Bonde, M.,Almqvist, F.,Johansson, J.,Sauer-Eriksson, A.E. Structural insights into CodY activation and DNA recognition. Nucleic Acids Res. 2023 51 7631 7648 8C7U 37326020 Transcriptional pleiotropic repressor CodY from Enterococcus faecalis in complex with Leu and a 30-bp DNA fragment encompassing two overlapping binding sites 2023-01-17 2023-06-28 Hainzl, T.,Bonde, M.,Almqvist, F.,Johansson, J.,Sauer-Eriksson, A.E. Structural insights into CodY activation and DNA recognition. Nucleic Acids Res. 2023 51 7631 7648 7QFD 37963862 Crystal structure of a bacterial pyranose 2-oxidase complex with D-glucose 2021-12-05 2023-07-05 Taborda, A.,Frazao, T.,Rodrigues, M.V.,Fernandez-Luengo, X.,Sancho, F.,Lucas, M.F.,Frazao, C.,Melo, E.P.,Ventura, M.R.,Masgrau, L.,Borges, P.T.,Martins, L.O. Mechanistic insights into glycoside 3-oxidases involved in C-glycoside metabolism in soil microorganisms. Nat Commun 2023 14 7289 7289 8CR3 37195753 Crystal structure of recombinant LasB from Pseudomonas aeruginosa PAO1 2023-03-07 2023-07-05 Kolling, D.,Haupenthal, J.,Hirsch, A.K.H.,Koehnke, J. Facile Production of the Pseudomonas aeruginosa Virulence Factor LasB in Escherichia coli for Structure-Based Drug Design. Chembiochem 2023 24 0 0 8P6O Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with di-mannuronic acid 2023-05-27 2023-07-05 Wilkens, C. Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with di-mannuronic acid To Be Published 0 0 0 0 8AA8 30S ribosomal protein S24e from Thermococcus barophilus 2022-06-30 2023-07-12 Calio, A.,Hoh, F. 30S ribosomal protein S24e from Thermococcus barophilus at 1.7A To Be Published 0 0 0 0 8C16 37371954 Crystal structure of asymmetric ferredoxin/flavodoxin NADP+ oxidoreductase 2 (FNR2) H326V mutant from Bacillus cereus 2022-12-20 2023-07-12 Hammerstad, M.,Rugtveit, A.K.,Dahlen, S.,Andersen, H.K.,Hersleth, H.P. Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction. Antioxidants 2023 12 0 0 8C3M 37371954 Crystal structure of ferredoxin/flavodoxin NADP+ oxidoreductase 1 (FNR1) V329H mutant from Bacillus cereus 2022-12-26 2023-07-12 Hammerstad, M.,Rugtveit, A.K.,Dahlen, S.,Andersen, H.K.,Hersleth, H.P. Functional Diversity of Homologous Oxidoreductases-Tuning of Substrate Specificity by a FAD-Stacking Residue for Iron Acquisition and Flavodoxin Reduction. Antioxidants 2023 12 0 0 8AHB 37389576 rsEGFP2 photoswitched to its off-state at room temperature and back-switched to its on-state at 100K 2022-07-21 2023-07-19 Mantovanelli, A.M.R.,Glushonkov, O.,Adam, V.,Wulffele, J.,Thedie, D.,Byrdin, M.,Gregor, I.,Nevskyi, O.,Enderlein, J.,Bourgeois, D. Photophysical Studies at Cryogenic Temperature Reveal a Novel Photoswitching Mechanism of rsEGFP2. J.Am.Chem.Soc. 2023 145 14636 14646 8COY 37428845 Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) in complex with inhibitor 2023-03-01 2023-07-19 Martinez, M.,Batista, F.A.,Maurel, M.,Bouillon, A.,Ortega Varga, L.,Wehenkel, A.M.,Le Chevalier-Sontag, L.,Blondel, A.,Haouz, A.,Hernandez, J.F.,Alzari, P.M.,Barale, J.C. 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor. Acta Crystallogr D Struct Biol 2023 79 721 734 8AON Oxidoreductase fragment of human QSOX1 in complex with a Fab fragment of a humanized anti-QSOX1 antibody 2022-08-08 2023-08-02 Tennenhouse, A.,Khmelnitsky, L.,Yeshaya, N.,Noronha, A.,Lindzen, M.,Khalaila, R.,Zaretsky, I.,Fridmann Sirkis, Y.,Galon-Wolfenson, Y.,Abramson, J.,Yarden, Y.,Fass, D.,Fleishman, S.J. Reliable energy-based antibody humanization and stabilization To Be Published 0 0 0 0 8H3B 37491224 Crystal structure of antibody scFv against M2e Influenza peptide 2022-10-08 2023-08-02 Kumar, U.,Goyal, P.,Madni, Z.K.,Kamble, K.,Gaur, V.,Rajala, M.S.,Salunke, D.M. A structure and knowledge-based combinatorial approach to engineering universal scFv antibodies against influenza M2 protein. J.Biomed.Sci. 2023 30 56 56 8H3C 37491224 Crystal structure of M2e Influenza peptide in complex with antibody scFv 2022-10-08 2023-08-02 Kumar, U.,Goyal, P.,Madni, Z.K.,Kamble, K.,Gaur, V.,Rajala, M.S.,Salunke, D.M. A structure and knowledge-based combinatorial approach to engineering universal scFv antibodies against influenza M2 protein. J.Biomed.Sci. 2023 30 56 56 8OIB 37482279 Trichomonas vaginalis riboside hydrolase in complex with glycerol 2023-03-22 2023-08-02 Patrone, M.,Galasyn, G.S.,Kerin, F.,Nyitray, M.M.,Parkin, D.W.,Stockman, B.J.,Degano, M. A riboside hydrolase that salvages both nucleobases and nicotinamide in the auxotrophic parasite Trichomonas vaginalis. J.Biol.Chem. 2023 299 105077 105077 8PUN Old Yellow Enzyme from the thermophilic Ferrovum sp. JA12 2023-07-17 2023-08-02 Polidori, N.,Gruber, K. Old Yellow Enzyme from the thermophilic Ferrovum sp. JA12 To Be Published 0 0 0 0 7QYG 35734849 Structure of the transaminase TR2 2022-01-28 2023-08-16 Roda, S.,Fernandez-Lopez, L.,Benedens, M.,Bollinger, A.,Thies, S.,Schumacher, J.,Coscolin, C.,Kazemi, M.,Santiago, G.,Gertzen, C.G.W.,Gonzalez-Alfonso, J.L.,Plou, F.J.,Jaeger, K.E.,Smits, S.H.J.,Ferrer, M.,Guallar, V. A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions. Angew Chem Int Ed Engl 2022 61 0 0 8ALU Crystal structure of the teichoic acid binding domain of SlpA, S-layer protein from Lactobacillus acidophilus (aa. 314-444) 2022-08-01 2023-08-16 Sagmeister, T.,Eder, M.,Gubensaek, N.,Dordic, A.,Grininger, C.,Damisch, E.,Vejzovic, D.,Codee, J.,Pavkov-Keller, T. The binding of the lactobacilli S-layer protein to the bacterial cell through interaction with teichoic acids To Be Published 0 0 0 0 8OTN 37482022 structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one 2023-04-21 2023-08-16 Chebaiki, M.,Delfourne, E.,Tamhaev, R.,Danoun, S.,Rodriguez, F.,Hoffmann, P.,Grosjean, E.,Goncalves, F.,Azema-Despeyroux, J.,Pal, A.,Kordulakova, J.,Preuilh, N.,Britton, S.,Constant, P.,Marrakchi, H.,Maveyraud, L.,Mourey, L.,Lherbet, C. Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem. 2023 259 115646 115646 8OXL 37523523 crystal structure of powdery mildews Blumeria graminis f. sp. hordei AVRA7 2023-05-02 2023-08-16 Cao, Y.,Kummel, F.,Logemann, E.,Gebauer, J.M.,Lawson, A.W.,Yu, D.,Uthoff, M.,Keller, B.,Jirschitzka, J.,Baumann, U.,Tsuda, K.,Chai, J.,Schulze-Lefert, P. Structural polymorphisms within a common powdery mildew effector scaffold as a driver of coevolution with cereal immune receptors. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8AV8 37676236 Small molecular stabilizer for ERalpha and 14-3-3 (1075300) 2022-08-26 2023-09-06 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 8Q1N 37581220 Cyclic peptide binder of the WBM-site of WDR5 2023-08-01 2023-09-06 Chang, J.Y.,Neugebauer, C.,Schmeing, S.,Amrahova, G.,'t Hart, P. Macrocyclic peptides as inhibitors of WDR5-lncRNA interactions. Chem.Commun.(Camb.) 2023 59 10656 10659 7Z3F 38170898 Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, oxidized form 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 7Z68 Pseudomonas aeruginosa Elastase in complex with a Thiol based inhibitor (R-and S-configured) 2022-03-11 2023-09-20 Klein, A.,Hirsch, A. Dual inhibitors of Pseudomonas aeruginosa virulence factors LecA and LasB To Be Published 0 0 0 0 8AQE 37676236 Small molecular stabilizer for ERalpha and 14-3-3 (1080295) 2022-08-12 2023-09-20 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 8AR4 37676236 Small molecular stabilizer for ERalpha and 14-3-3 (1080300) 2022-08-15 2023-09-20 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 8ARO 37676236 Small molecular stabilizer for ERalpha and 14-3-3 (1080291) 2022-08-17 2023-09-20 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 8AU2 37676236 Small molecular stabilizer for ERalpha and 14-3-3 (1080293) 2022-08-25 2023-09-20 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 8AUS 37676236 Small molecular stabilizer for ERalpha and 14-3-3 (1080297) 2022-08-25 2023-09-20 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 8AUY 37676236 Small molecule stabilizer for ERalpha and 14-3-3 (1080298) 2022-08-26 2023-09-20 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 8AV3 37676236 Small molecular stabilizer for ERalpha and 14-3-3 (1075299) 2022-08-26 2023-09-20 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 8AXE 37676236 Small molecule stabilizer for ERalpha and 14-3-3 (1074210) 2022-08-31 2023-09-20 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 8AXU 37676236 Small molecule stabilizer for ERalpha and 14-3-3 (1075297) 2022-09-01 2023-09-20 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 8B39 37676236 Small molecular stabilizer for ERalpha and 14-3-3 (1080299) 2022-09-16 2023-09-20 Konstantinidou, M.,Visser, E.J.,Vandenboorn, E.,Chen, S.,Jaishankar, P.,Overmans, M.,Dutta, S.,Neitz, R.J.,Renslo, A.R.,Ottmann, C.,Brunsveld, L.,Arkin, M.R. Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc. 2023 145 20328 20343 7QHF 37830175 [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI), variant G302S 2021-12-12 2023-09-27 Brocks, C.,Das, C.K.,Duan, J.,Yadav, S.,Apfel, U.P.,Ghosh, S.,Hofmann, E.,Winkler, M.,Engelbrecht, V.,Schafer, L.V.,Happe, T. A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases. Chemsuschem 2023 0 0 0 8CM5 37985883 W-formate dehydrogenase C872A from Desulfovibrio vulgaris 2023-02-17 2023-09-27 Oliveira, A.R.,Mota, C.,Vilela-Alves, G.,Manuel, R.R.,Pedrosa, N.,Fourmond, V.,Klymanska, K.,Leger, C.,Guigliarelli, B.,Romao, M.J.,Cardoso Pereira, I.A. An allosteric redox switch involved in oxygen protection in a CO 2 reductase. Nat.Chem.Biol. 2024 20 111 119 8B4X 38385828 X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-R-Tle-K-6-(aminomethyl)-3-amino-isoindol 2022-09-21 2023-10-04 Lange, R.W.,Bloch, K.,Heindl, M.R.,Wollenhaupt, J.,Weiss, M.S.,Brandstetter, H.,Klebe, G.,Falcone, F.H.,Bottcher-Friebertshauser, E.,Dahms, S.O.,Steinmetzer, T. Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem 2024 0 0 0 8B52 36334638 Usutu virus methyltransferase domain in complex with sinefungin 2022-09-21 2023-10-04 Ferrero, D.S.,Albentosa-Gonzalez, L.,Mas, A.,Verdaguer, N. Structure and function of the NS5 methyltransferase domain from Usutu virus. Antiviral Res. 2022 208 105460 105460 8PO9 37729416 Polyethylene oxidation hexamerin PEase Cibeles (XP_026756460) from Galleria mellonella 2023-07-03 2023-10-04 Spinola-Amilibia, M.,Illanes-Vicioso, R.,Ruiz-L Formula See Text Pez, E.,Colomer-Vidal, P.,Rodriguez, F.V.,Peces Perez, R.,Arias, C.F.,Torroba, T.,Sol Formula See Text, M.,Arias-Palomo, E.,Bertocchini, F. Plastic degradation by insect hexamerins: Near-atomic resolution structures of the polyethylene-degrading proteins from the wax worm saliva. Sci Adv 2023 9 0 0 7ZAO Structure of BPP43_05035 of Brachyspira pilosicoli 2022-03-22 2023-10-11 Rajan, A.,Gallego, P.,Dolan, B.,Patel, P.,Dwibedi, C.,Luis, A.S.,Trillo-Muyo, S.,Arike, L.,van der Post, S.,Simren, M.,Pelaseyed, T. BPP43_05035 is a Brachyspira pilosicoli cell surface adhesin that weakens the integrity of the epithelial barrier during infection Biorxiv 2024 0 0 0 8B74 Tyrosinase from halophilic bacterium Hahella sp. CCB MM4 2022-09-28 2023-10-11 Rohr, A.K.,Santos, G.A.,Englund, A.N.,Landsem, E. Tyrosinase from halophilic bacterium Hahella sp. CCB MM4 To Be Published 0 0 0 0 8OXX 37798283 Transglutaminase 3 in complex with inhibitor Z-don and DH patient-derived Fab DH63-B02 2023-05-02 2023-10-18 Heggelund, J.E.,Das, S.,Stamnaes, J.,Iversen, R.,Sollid, L.M. Autoantibody binding and unique enzyme-substrate intermediate conformation of human transglutaminase 3. Nat Commun 2023 14 6216 6216 8BAM 38026814 Eugenol Oxidase (EUGO) from Rhodococcus jostii RHA1, tenfold mutant active on propanol syringol 2022-10-11 2023-10-25 Guo, Y.,Alvigini, L.,Saifuddin, M.,Ashley, B.,Trajkovic, M.,Alonso-Cotchico, L.,Mattevi, A.,Fraaije, M.W. One-Pot Biocatalytic Synthesis of rac -Syringaresinol from a Lignin-Derived Phenol. Acs Catalysis 2023 13 14639 14649 8CJY 37830175 [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant S357T 2023-02-13 2023-10-25 Brocks, C.,Das, C.K.,Duan, J.,Yadav, S.,Apfel, U.P.,Ghosh, S.,Hofmann, E.,Winkler, M.,Engelbrecht, V.,Schafer, L.V.,Happe, T. A Dynamic Water Channel Affects O 2 Stability in [FeFe]-Hydrogenases. Chemsuschem 2024 17 0 0 8ONF Crystal structure of Bdellovibrio bacteriovorus Bd2439 fibre C-terminal domains with ethylene glycol 2023-04-02 2023-10-25 Caulton, S.G.,Lovering, A.L. Title to be confirmed To Be Published 0 0 0 0 8BGA 38238420 Structure of Mpro in complex with FGA146 2022-10-27 2023-11-08 Medrano, F.J.,de la Hoz-Rodriguez, S.,Marti, S.,Arafet, K.,Schirmeister, T.,Hammerschmidt, S.J.,Muller, C.,Gonzalez-Martinez, A.,Santillana, E.,Ziebuhr, J.,Romero, A.,Zimmer, C.,Weldert, A.,Zimmermann, R.,Lodola, A.,Swiderek, K.,Moliner, V.,Gonzalez, F.V. Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2. Commun Chem 2024 7 15 15 8QPC 18mer DNA mimic Foldamer with an Aromatic linker in complex with Sac7d V26A/M29A protein 2023-10-01 2023-11-08 Deepak, D.,Corvaglia, V.,Wu, J.,Allmendinger, L.,Huc, I. DNA-Mimic Foldamer Recognition of a Chromosomal Protein To Be Published 0 0 0 0 8BZQ 38311343 Beta-1,4-D-endoglucanase Cel45A from Gloeophyllum trabeum 2022-12-15 2023-11-22 Okmane, L.,Fitkin, L.,Sandgren, M.,Stahlberg, J. The first crystal structure of a family 45 glycoside hydrolase from a brown-rot fungus, Gloeophyllum trabeum GtCel45A. Febs Open Bio 2024 14 505 514 8C3O 37976710 Crystal structure of autotaxin gamma and compound MEY-003 2022-12-27 2023-11-22 Eymery, M.C.,Nguyen, K.A.,Basu, S.,Hausmann, J.,Tran-Nguyen, V.K.,Seidel, H.P.,Gutierrez, L.,Boumendjel, A.,McCarthy, A.A. Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem. 2023 263 115944 115944 8C3P 37976710 Crystal structure of autotaxin gamma in complex with LPA 18:1 2022-12-28 2023-11-22 Eymery, M.C.,Nguyen, K.A.,Basu, S.,Hausmann, J.,Tran-Nguyen, V.K.,Seidel, H.P.,Gutierrez, L.,Boumendjel, A.,McCarthy, A.A. Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem. 2023 263 115944 115944 8C4W 37976710 Crystal structure of rat autotaxin and compound MEY-002 2023-01-05 2023-11-22 Eymery, M.C.,Nguyen, K.A.,Basu, S.,Hausmann, J.,Tran-Nguyen, V.K.,Seidel, H.P.,Gutierrez, L.,Boumendjel, A.,McCarthy, A.A. Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem. 2023 263 115944 115944 8C7R 37976710 Crystal structure of rat autotaxin and compound MEY-003 2023-01-17 2023-11-22 Eymery, M.C.,Nguyen, K.A.,Basu, S.,Hausmann, J.,Tran-Nguyen, V.K.,Seidel, H.P.,Gutierrez, L.,Boumendjel, A.,McCarthy, A.A. Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem. 2023 263 115944 115944 8PVM 37983562 formaldehyde-inhibited [FeFe]-hydrogenase CpI from Clostridium pasteurianum, variant C299D 2023-07-18 2023-11-29 Duan, J.,Veliju, A.,Lampret, O.,Liu, L.,Yadav, S.,Apfel, U.P.,Armstrong, F.A.,Hemschemeier, A.,Hofmann, E. Insights into the Molecular Mechanism of Formaldehyde Inhibition of [FeFe]-Hydrogenases. J.Am.Chem.Soc. 2023 145 26068 26074 8PFH 38184752 Crystal structure of the yeast septin complex Shs1-Cdc12-Cdc3-Cdc10 2023-06-16 2023-12-06 Grupp, B.,Denkhaus, L.,Gerhardt, S.,Vogele, M.,Johnsson, N.,Gronemeyer, T. The structure of a tetrameric septin complex reveals a hydrophobic element essential for NC-interface integrity. Commun Biol 2024 7 48 48 7XX3 Crystal structure of human Superoxide Dismutase (SOD1) in complex with a fungal metabolite molecule, Phialomustin B (PB) 2022-05-28 2023-12-13 Unni, S.,Padmanabhan, B. Phialomustin-B a fungal metabolite isolated from Phialophora mustea modulates Superoxide Dismutase 1 (SOD1) aggregation: Therapeutic potential in Amyotrophic lateral sclerosis (ALS) To Be Published 0 0 0 0 8BVI Crystal structure of the METTL9-like histidine methyltransferase from Ostreococcus tauri 2022-12-04 2023-12-13 Schroer, L.,Hammerstad, M.,Weirich, S.,Hersleth, H.-P.,Groensberg, I.A.,Hagen, L.,Slupphaug, G.,Davydova, E.,Falnes, P.O. METTL9-like histidine methyltransferases To be published 0 0 0 0 8PZ3 38170641 TssM - A USP-like DUB from B. pseudomallei (193-430) 2023-07-26 2023-12-13 Hermanns, T.,Uthoff, M.,Baumann, U.,Hofmann, K. The structural basis for deubiquitination by the fingerless USP-type effector TssM. Life Sci Alliance 2024 7 0 0 8Q6G 38033723 HUMAN PI4KIIIB IN COMPLEX WITH COVALENTLY BOUND INHIBITOR (COMPOUND 8) 2023-08-11 2023-12-13 Cosgrove, B.,Grant, E.K.,Bertrand, S.,Down, K.D.,Somers, D.O.,P Evans, J.,Tomkinson, N.C.O.,Barker, M.D. Covalent targeting of non-cysteine residues in PI4KIII beta. Rsc Chem Biol 2023 4 1111 1122 8QCL 38179933 A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 2023-08-27 2023-12-13 Seveso, A.,Mazurkewich, S.,Banerjee, S.,Poulsen, J.-.C.N.,Lo Leggio, L.,Larsbrink, J. Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds. Appl.Environ.Microbiol. 2024 90 0 0 8BXZ Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with penta-mannuronic acid 2022-12-11 2023-12-20 Wilkens, C. Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with penta-mannuronic acid To Be Published 0 0 0 0 8A52 Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (asymmetrical variant, trigonal form with long c-axis) 2022-06-14 2023-12-27 Batra-Safferling, R.,Arinkin, V.,Granzin, J.,Krauss, U. Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (asymmetrical variant, trigonal form with long c axis) To Be Published 0 0 0 0 8C0H Crystal structure of guanidinase from Nitrospira inopinata 2022-12-16 2023-12-27 Palatinszky, M.,Herbold, C.W.,Sedlacek, C.J.,Puehringer, D.,Wasmund, K.,Nielsen, P.H.,Dueholm, M.S.,Jehmlich, N.,Grusek, R.,Kostan, J.,Krasnici, N.,Palmetzhofer, J.,Hofmann, T.,Zumstein, M.,Djinovic-Carugo, K.,Daims, H.,Wagner, M. Growth of complete ammonia oxidizers on guanidine To Be Published 0 0 0 0 8HVQ Crystal structure of haloacid dehalogenase-like hydrolase family enzyme from Staphylococcus lugdunensis 2022-12-27 2023-12-27 Kaur, H.,Mahto, J.K.,Kumar, P.,Sharma, A.K. Crystal structure of haloacid dehalogenase-like hydrolase family enzyme from Staphylococcus lugdunensis To Be Published 0 0 0 0 8C27 Domain 3 of Group B Streptococcus pilus protein as scaffold for the display of foreign epitopes 2022-12-21 2024-01-10 Veggi, D.,Cappelli, L.,Cozzi, R. Domain 3 of Group B Streptococcus pilus protein as scaffold for the display of foreign epitope To Be Published 0 0 0 0 8HRV dutpase of helicobacter pylori 26695 2022-12-16 2024-01-17 Kumari, K.,Gourinath, S. dutpase of helicobacter pylori 26695 To Be Published 0 0 0 0 8C5Q CK2 kinase bound to inhibitor AB668 2023-01-10 2024-01-24 Krimm, I.,Guichou, J.F. CK2 kinase bound to inhibitor AB668 To Be Published 0 0 0 0 8I11 Crystal structure of LOV1 domain of phototropin from Klebsormidium nitens 2023-01-12 2024-01-24 Gautam, A.K.,Sharma, S.,Gourinath, S.,kateria, S. Crystal structure of LOV1 domain of phototropin from klebsormidium nitens To Be Published 0 0 0 0 8OTL 38128204 structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol 2023-04-21 2024-01-24 Tamhaev, R.,Grosjean, E.,Ahamed, H.,Chebaiki, M.,Rodriguez, F.,Recchia, D.,Degiacomi, G.,Pasca, M.R.,Maveyraud, L.,Mourey, L.,Lherbet, C. Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors. Bioorg.Chem. 2023 143 107032 107032 8C84 38492719 Crystal structure of MADS-box/MEF2D N-terminal domain complex 2023-01-18 2024-01-31 Chinellato, M.,Perin, S.,Carli, A.,Lastella, L.,Biondi, B.,Borsato, G.,Di Giorgio, E.,Brancolini, C.,Cendron, L.,Angelini, A. Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol. 2024 436 168541 168541 8P88 37865287 X-ray structure of cardiotoxic light chain H3 in complex to neutralizing nanobody C4 2023-05-31 2024-01-31 Broggini, L.,Barzago, M.M.,Speranzini, V.,Schulte, T.,Sonzini, F.,Giono, M.,Romeo, M.,Milani, P.,Caminito, S.,Mazzini, G.,Rognoni, P.,Merlini, G.,Pappone, C.,Anastasia, L.,Nuvolone, M.,Palladini, G.,Diomede, L.,Ricagno, S. Nanobodies counteract the toxicity of an amyloidogenic light chain by stabilizing a partially open dimeric conformation. J.Mol.Biol. 2023 435 168320 168320 8P89 37865287 X-ray structure of cardiotoxic light chain H3 in complex to neutralizing nanobody B5 2023-05-31 2024-01-31 Broggini, L.,Barzago, M.M.,Speranzini, V.,Schulte, T.,Sonzini, F.,Giono, M.,Romeo, M.,Milani, P.,Caminito, S.,Mazzini, G.,Rognoni, P.,Merlini, G.,Pappone, C.,Anastasia, L.,Nuvolone, M.,Palladini, G.,Diomede, L.,Ricagno, S. Nanobodies counteract the toxicity of an amyloidogenic light chain by stabilizing a partially open dimeric conformation. J.Mol.Biol. 2023 435 168320 168320 8QFZ 38284169 TSLP-Bicycle complex 2023-09-05 2024-02-07 Narjes, F.,Edfeldt, F.,Petersen, J.,Oster, L.,Hamblet, C.,Bird, J.,Bold, P.,Rae, R.,Back, E.,Stomilovic, S.,Zlatoidsky, P.,Svensson, T.,Hidestal, L.,Kunalingam, L.,Shamovsky, I.,De Maria, L.,Gordon, E.,Lewis, R.J.,Watcham, S.,van Rietschoten, K.,Mudd, G.E.,Harrison, H.,Chen, L.,Skynner, M.J. Discovery and Characterization of a Bicyclic Peptide (Bicycle) Binder to Thymic Stromal Lymphopoietin. J.Med.Chem. 2024 67 2220 2235 8SYC 38284310 Crystal structure of PDE3B in complex with GSK4394835A 2023-05-25 2024-02-07 Rowley, A.M.,Yao, G.,Andrews, L.,Bedermann, A.,Biddulph, R.,Bingham, R.,Brady, J.J.,Buxton, R.,Cecconie, T.,Cooper, R.,Csakai, A.,Gao, E.N.,Grenier-Davies, M.C.,Lawler, M.,Lian, Y.,Macina, J.,Macphee, C.,Marcaurelle, L.,Martin, J.,McCormick, P.,Pindoria, R.,Rauch, M.,Rocque, W.,Shen, Y.,Shewchuk, L.M.,Squire, M.,Stebbeds, W.,Tear, W.,Wang, X.,Ward, P.,Xiao, S. Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library. J.Med.Chem. 2024 67 2049 2065 8VEV Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification, m6A nucleoside ligand 2023-12-20 2024-02-07 Aoki, S.T. Structure of a mouse IgG antibody antigen-binding fragment (Fab) targeting N6-methyladenosine (m6A), an RNA modification, m6A nucleoside ligand To Be Published 0 0 0 0 8PEB OXA-48_Q5. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution 2023-06-13 2024-02-14 Frohlich, C.,Leiros, H.-K.S. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution. To Be Published 2024 0 0 0 8PEC OXA-48_Q5-CAZ. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution 2023-06-13 2024-02-14 Frohlich, C.,Leiros, H.-K.S. Epistasis Arises from Shifting the Rate-Limiting Step during Enzyme Evolution. To Be Published 2024 0 0 0 8V1L 38284934 Crystal structure of the NTF2L domain of human G3BP1 in complex with small molecule 2023-11-20 2024-02-14 Freibaum, B.D.,Messing, J.,Nakamura, H.,Yurtsever, U.,Wu, J.,Kim, H.J.,Hixon, J.,Lemieux, R.M.,Duffner, J.,Huynh, W.,Wong, K.,White, M.,Lee, C.,Meyers, R.E.,Parker, R.,Taylor, J.P. Identification of small molecule inhibitors of G3BP-driven stress granule formation. J.Cell Biol. 2024 223 0 0 8CDM Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 2023-01-31 2024-02-21 Moussaoui, D.,Robblee, J.P.,Robert-Paganin, J.,Auguin, D.,Fisher, F.,Fagnant, P.M.,MacFarlane, J.E.,Schaletzky, J.,Wehri, E.,Mueller-Dieckmann, C.,Baum, J.,Trybus, K.M.,Houdusse, A. Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 To Be Published 0 0 0 0 8CF9 Crystal structure of the human PXR ligand-binding domain in complex with sclareol 2023-02-03 2024-02-21 Carivenc, C.,Derosa, Q.,Grimaldi, M.,Boulahtouf, A.,Balaguer, P.,Bourguet, W. Crystal structure of the human PXR ligand-binding domain in complex with sclareol To Be Published 0 0 0 0 8CLP 38449531 Zearalenone lactonase from Streptomyces coelicoflavus mutant H286Y 2023-02-17 2024-02-21 Fruhauf, S.,Puhringer, D.,Thamhesl, M.,Fajtl, P.,Kunz-Vekiru, E.,Hobartner-Gussl, A.,Schatzmayr, G.,Adam, G.,Damborsky, J.,Djinovic-Carugo, K.,Prokop, Z.,Moll, W.D. Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone. Acs Catalysis 2024 14 3392 3410 8S0U Structure of the LytM domain of PrgK from E. faecalis 2024-02-14 2024-02-28 Sun, W.-S.,Torrens, G.,ter Beek, J.,Cava, F.,Berntsson, R.P.-A. Breaking Barriers: pCF10 Type 4 Secretion System relies on a self-regulating muramidase to modulate the cell wall To Be Published 0 0 0 0 8IL9 Crystal structure of the LOV1 Q122N mutant of Klebsormidium nitens phototropin 2023-03-03 2024-03-06 Gautam, A.K.,Sharma, S.,Gourinath, S.,kateria, S. Crystal structure of LOV1 Q122N mutant of phototropin from klebsormidium nitens To Be Published 0 0 0 0 8Q66 Crystal Structure of the C. elegans MUT-7 MUT-8 CTD complex 2023-08-11 2024-03-06 Falk, S.,Busetto, V. MUT-7 a conserved exoribonuclease functioning in small RNA biogenesis To Be Published 0 0 0 0 8QYE 38357862 Catalytic core of endo-alpha-N-acetylgalactosaminidase from Bifidobacterium longum (EngBF) concieved by deep network hallucination: dEngBF4 2023-10-25 2024-03-06 Hansen, A.L.,Theisen, F.F.,Crehuet, R.,Marcos, E.,Aghajari, N.,Willemoes, M. Carving out a Glycoside Hydrolase Active Site for Incorporation into a New Protein Scaffold Using Deep Network Hallucination. Acs Synth Biol 2024 13 862 875 8QZK 38357862 Catalytic core of endo-alpha-N-acetylgalactosaminidase from Bifidobacterium longum (EngBF) concieved by deep network hallucination: dEngBF4 Hexagonal form 2023-10-27 2024-03-06 Hansen, A.L.,Theisen, F.F.,Crehuet, R.,Marcos, E.,Aghajari, N.,Willemoes, M. Carving out a Glycoside Hydrolase Active Site for Incorporation into a New Protein Scaffold Using Deep Network Hallucination. Acs Synth Biol 2024 13 862 875 8R0I Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide 2023-10-31 2024-03-06 Jalencas, X.,Berg, H.,Espeland, L.O.,Sreeramulu, S.,Kinnen, F.,Richter, C.,Georgiou, C.,Yadrykhinsky, V.,Specker, E.,Jaudzems, K.,Miletic, T.,Harmel, R.,Gribbon, P.,Schwalbe, H.,Brenk, R.,Jirgensons, A.,Zaliani, A.,Mestres, J. Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection Rsc Med Chem 2024 0 0 0 8R1V Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide 2023-11-02 2024-03-06 Jalencas, X.,Berg, H.,Espeland, L.O.,Sreeramulu, S.,Kinnen, F.,Richter, C.,Georgiou, C.,Yadrykhinsky, V.,Specker, E.,Jaudzems, K.,Miletic, T.,Harmel, R.,Gribbon, P.,Schwalbe, H.,Brenk, R.,Jirgensons, A.,Zaliani, A.,Mestres, J. Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection Rsc Med Chem 2024 0 0 0 8QCK 38372589 Crystal structure of mycothiol disulfide reductase Mtr from Mycobacterium smegmatis 2023-08-27 2024-03-13 Gutierrez-Fernandez, J.,Hersleth, H.P.,Hammerstad, M. The crystal structure of mycothiol disulfide reductase (Mtr) provides mechanistic insight into the specific low-molecular-weight thiol reductase activity of Actinobacteria. Acta Crystallogr D Struct Biol 2024 80 181 193 8RKG 38490181 Crystal structure of tetrameric collagenase-cleaved Xenopus ZP2-N2N3 (cleaved xZP2-N2N3) 2023-12-25 2024-03-13 Nishio, S.,Emori, C.,Wiseman, B.,Fahrenkamp, D.,Dioguardi, E.,Zamora-Caballero, S.,Bokhove, M.,Han, L.,Stsiapanava, A.,Algarra, B.,Lu, Y.,Kodani, M.,Bainbridge, R.E.,Komondor, K.M.,Carlson, A.E.,Landreh, M.,de Sanctis, D.,Yasumasu, S.,Ikawa, M.,Jovine, L. ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat. Cell 2024 187 1440 0 8Q4I 38453905 The crystal structure of human chloride intracellular channel protein 5 delta 57-68 2023-08-07 2024-03-20 Manori, B.,Vaknin, A.,Vankova, P.,Nitzan, A.,Zaidel-Bar, R.,Man, P.,Giladi, M.,Haitin, Y. Chloride intracellular channel (CLIC) proteins function as fusogens. Nat Commun 2024 15 2085 2085 8Q4J 38453905 The crystal structure of human chloride intracellular channel protein 5 delta 57-68 F34D mutant 2023-08-07 2024-03-20 Manori, B.,Vaknin, A.,Vankova, P.,Nitzan, A.,Zaidel-Bar, R.,Man, P.,Giladi, M.,Haitin, Y. Chloride intracellular channel (CLIC) proteins function as fusogens. Nat Commun 2024 15 2085 2085 8QKG 38503166 PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-125) 2023-09-15 2024-03-20 Legru, A.,Batista, F.A.,Puszko, A.K.,Bouillon, A.,Maurel, M.,Martinez, M.,Ejjoummany, A.,Ortega Varga, L.,Adler, P.,Mechaly, A.,Hadjadj, M.,Sosnowski, P.,Hopfgartner, G.,Alzari, P.M.,Blondel, A.,Haouz, A.,Barale, J.C.,Hernandez, J.F. Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1. Eur.J.Med.Chem. 2024 269 116308 116308 8QKJ 38503166 PvSub1 Catalytic Domain in Complex with Peptidomimetic Inhibitor (MAM-133) 2023-09-15 2024-03-20 Legru, A.,Batista, F.A.,Puszko, A.K.,Bouillon, A.,Maurel, M.,Martinez, M.,Ejjoummany, A.,Ortega Varga, L.,Adler, P.,Mechaly, A.,Hadjadj, M.,Sosnowski, P.,Hopfgartner, G.,Alzari, P.M.,Blondel, A.,Haouz, A.,Barale, J.C.,Hernandez, J.F. Insights from structure-activity relationships and the binding mode of peptidic alpha-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1. Eur.J.Med.Chem. 2024 269 116308 116308 8B0V Crystal structure of C-terminal domain of Pseudomonas aeruginosa LexA G91D mutant 2022-09-08 2024-03-27 Vascon, F.,De Felice, S.,Gasparotto, M.,Huber, S.T.,Catalano, C.,Chinellato, M.,Grinzato, A.,Filippini, F.,Maso, L.,Jakobi, A.,Cendron, L. Structural investigations on the SOS response in Pseudomonas aeruginosa To Be Published 0 0 0 0 8ITX Crystal structure of human Galectin-3 in complex with small molecule inhibitor 2023-03-23 2024-03-27 Swidorski, J.J.,Beno, B.B.,Liu, C.,Yoon, D.,Ghosh, K.,Sale, H.,Shah, D.,Acharya, K.,Yanchunas, J.,Ellsworth, B.,Cheng, D.,Regueiro-Ren, A. Discovery and Exploration of Monosaccharide Linked Dimers to Target Fibrosis To Be Published 0 0 0 0 8OZ4 Populus tremula stable protein 1 with an alternate crystal lattice 2023-05-08 2024-03-27 Sklyar, J.,Zeibaq, Y.,Bachar, O.,Yehezkeli, O.,Adir, N. A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties Small Science 2024 0 0 0 8QME Structural characterization of beta-xyloxidase XynB2 from Geobacillus stearothermophilus CECT43 2023-09-22 2024-03-27 Gavira, J.A.,Contreras, L.M.,Alshamaa, H.M.,Clemente-Jimenez, J.M.,Rodriguez-Vico, F.,Las Heras-Vazquez, F.J.,Martinez-Rodriguez, S. Structural Characterization of beta-Xylosidase XynB2 from Geobacillus stearothermophilus CECT43: A Member of the Glycoside Hydrolase Family GH52 Crystals 2024 14 0 0 8B96 Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5464 2022-10-05 2024-04-03 Carrasco, K.,Betzi, S.,Morelli, X. Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5464 To Be Published 0 0 0 0 8B98 Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5483 2022-10-05 2024-04-03 Carrasco, K.,Betzi, S.,Morelli, X. Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5464 To Be Published 0 0 0 0 8QX7 38521321 Apo-C-Terminal Domain Homolog of the Orange Carotenoid Protein from Anabaena at a resolution of 1.95 Angstroms 2023-10-22 2024-04-03 Sklyar, J.,Wilson, A.,Kirilovsky, D.,Adir, N. Insights into energy quenching mechanisms and carotenoid uptake by orange carotenoid protein homologs: HCP4 and CTDH. Int.J.Biol.Macromol. 2024 265 131028 131028 8IYN Crystal structure of LOV1 D33N mutant of phototropin from Klebsormidium nitens 2023-04-05 2024-04-10 Gautam, A.K.,Sharma, S.,Gourinath, S.,kateria, S. Crystal structure of LOV1 D33N mutant of phototropin from Klebsormidium nitens To Be Published 0 0 0 0 8PDE 38492719 Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif 2023-06-12 2024-04-17 Chinellato, M.,Perin, S.,Carli, A.,Lastella, L.,Biondi, B.,Borsato, G.,Di Giorgio, E.,Brancolini, C.,Cendron, L.,Angelini, A. Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol. 2024 436 168541 168541 8Q9Q 38492719 Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC7 deacetylase binding motif 2023-08-20 2024-04-17 Chinellato, M.,Perin, S.,Carli, A.,Lastella, L.,Biondi, B.,Borsato, G.,Di Giorgio, E.,Brancolini, C.,Cendron, L.,Angelini, A. Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol. 2024 436 168541 168541 8Q9R 38492719 Crystal structure of MADS-box/MEF2D N-terminal domain bound to dsDNA and HDAC9 deacetylase binding motif 2023-08-20 2024-04-17 Chinellato, M.,Perin, S.,Carli, A.,Lastella, L.,Biondi, B.,Borsato, G.,Di Giorgio, E.,Brancolini, C.,Cendron, L.,Angelini, A. Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA. J.Mol.Biol. 2024 436 168541 168541 8JFV 37805153 Crystal structure of Catabolite repressor acivator from E. coli in complex with sulisobenzone 2023-05-19 2024-04-24 Neetu, N.,Mahto, J.K.,Sharma, M.,Katiki, M.,Dhaka, P.,Roy, P.,Tomar, S.,Narayan, A.,Yernool, D.,Kumar, P. Sulisobenzone is a potent inhibitor of the global transcription factor Cra. J.Struct.Biol. 2023 215 108034 108034