PDB_ID PUBMED_CID STRUCTURE TITLE DEPOSITION DATE RELEASE DATE AUTHORS CITATION TITLE JOURNAL YEAR VOLUME FIRST PAGE LAST PAGE 3GGC 19527031 Human hypoxanthine-guanine phosphoribosyltransferase in complex with 9-(2-phosphonoethoxyethyl)hypoxanthine 2009-02-27 2009-08-18 Keough, D.T.,Hockova, D.,Holy, A.,Naesens, L.M.,Skinner-Adams, T.S.,Jersey, J.,Guddat, L.W. Inhibition of hypoxanthine-guanine phosphoribosyltransferase by acyclic nucleoside phosphonates: a new class of antimalarial therapeutics. J.Med.Chem. 2009 52 4391 4399 3F7E MSMEG_3380 F420 Reductase 2008-11-08 2009-10-20 Taylor, M.C.,Jackson, C.J.,Oakeshott, J.G. 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Biol. 2014 426 656 673 4L63 24095060 Apo form of AB5 holotoxin 2013-06-11 2013-11-27 Ng, N.M.,Littler, D.R.,Paton, A.W.,Le Nours, J.,Rossjohn, J.,Paton, J.C.,Beddoe, T. EcxAB Is a Founding Member of a New Family of Metalloprotease AB5 Toxins with a Hybrid Cholera-like B Subunit. Structure 2013 21 2003 2013 4MCU 24244651 Crystal structure of disulfide oxidoreductase from Klebsiella pneumoniae in reduced state 2013-08-21 2013-11-27 Kurth, F.,Rimmer, K.,Premkumar, L.,Mohanty, B.,Duprez, W.,Halili, M.A.,Shouldice, S.R.,Heras, B.,Fairlie, D.P.,Scanlon, M.J.,Martin, J.L. Comparative Sequence, Structure and Redox Analyses of Klebsiella pneumoniae DsbA Show That Anti-Virulence Target DsbA Enzymes Fall into Distinct Classes. Plos One 2013 8 0 0 4C7M 24265315 The crystal structure of TcpB or BtpA TIR domain 2013-09-23 2013-12-04 Alaidarous, M.,Ve, T.,Casey, L.W.,Valkov, E.,Ericsson, D.J.,Ullah, M.O.,Schembri, M.A.,Mansell, A.,Sweet, M.J.,Kobe, B. Mechanism of bacterial interference with TLR4 signaling by Brucella Toll/interleukin-1 receptor domain-containing protein TcpB. J.Biol.Chem. 2014 289 654 668 4I7U Dihydrodipicolinate Synthase of Agrobacterium tumefaciens 2012-11-30 2013-12-04 Atkinson, S.C.,Dogovski, C.,Dobson, R.C.J.,Perugini, M.A. Structure, function and allostery of the bona fide DHDPS from the plant pathogen Agrobacterium tumefaciens To be Published 0 0 0 0 4I7W Agrobacterium tumefaciens DHDPS with lysine and pyruvate 2012-12-01 2013-12-04 Atkinson, S.C.,Dogovski, C.,Dobson, R.C.J.,Perugini, M.A. Structure, function and allostery of the bona fide DHDPS from the plant pathogen Agrobacterium tumefaciens To be Published 0 0 0 0 4MD0 24190431 Immune Receptor 2013-08-22 2013-12-04 Scally, S.W.,Petersen, J.,Law, S.C.,Dudek, N.L.,Nel, H.J.,Loh, K.L.,Wijeyewickrema, L.C.,Eckle, S.B.,van Heemst, J.,Pike, R.N.,McCluskey, J.,Toes, R.E.,La Gruta, N.L.,Purcell, A.W.,Reid, H.H.,Thomas, R.,Rossjohn, J. A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis. J.Exp.Med. 2013 210 2569 2582 4MD0 24190431 Immune Receptor 2013-08-22 2013-12-04 Scally, S.W.,Petersen, J.,Law, S.C.,Dudek, N.L.,Nel, H.J.,Loh, K.L.,Wijeyewickrema, L.C.,Eckle, S.B.,van Heemst, J.,Pike, R.N.,McCluskey, J.,Toes, R.E.,La Gruta, N.L.,Purcell, A.W.,Reid, H.H.,Thomas, R.,Rossjohn, J. A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis. J.Exp.Med. 2013 210 2569 2582 4MDJ 24190431 Immune Receptor 2013-08-22 2013-12-04 Scally, S.W.,Petersen, J.,Law, S.C.,Dudek, N.L.,Nel, H.J.,Loh, K.L.,Wijeyewickrema, L.C.,Eckle, S.B.,van Heemst, J.,Pike, R.N.,McCluskey, J.,Toes, R.E.,La Gruta, N.L.,Purcell, A.W.,Reid, H.H.,Thomas, R.,Rossjohn, J. A molecular basis for the association of the HLA-DRB1 locus, citrullination, and rheumatoid arthritis. J.Exp.Med. 2013 210 2569 2582 4MWI 24219132 Crystal structure of the human MLKL pseudokinase domain 2013-09-25 2013-12-04 Murphy, J.M.,Lucet, I.S.,Hildebrand, J.M.,Tanzer, M.C.,Young, S.N.,Sharma, P.,Lessene, G.,Alexander, W.S.,Babon, J.J.,Silke, J.,Czabotar, P.E. Insights into the evolution of divergent nucleotide-binding mechanisms among pseudokinases revealed by crystal structures of human and mouse MLKL. Biochem.J. 2014 457 369 377 4BSX 24311583 Crystal Structure of the N terminal domain of TRIF (TIR-domain- containing adapter-inducing interferon-beta) 2013-06-12 2013-12-11 Ullah, M.O.,Ve, T.,Mangan, M.,Alaidarous, M.,Sweet, M.J.,Mansell, A.,Kobe, B. The Tlr Signalling Adaptor Trif/Ticam-1 Has an N-Terminal Helical Domain with Structural Similarity to Ifit Proteins Acta Crystallogr.,Sect.D 2013 69 2420 0 4C0M 24311583 Crystal Structure of the N terminal domain of wild type TRIF (TIR- domain-containing adapter-inducing interferon-beta) 2013-08-05 2013-12-11 Ullah, M.O.,Ve, T.,Mangan, M.,Alaidarous, M.,Sweet, M.J.,Mansell, A.,Kobe, B. The Tlr Signalling Adaptor Trif/Ticam-1 Has an N-Terminal Helical Domain with Structural Similarity to Ifit Proteins Acta Crystallogr.,Sect.D 2013 69 2420 0 4ICN Dihydrodipicolinate synthase from shewanella benthica 2012-12-10 2013-12-11 Wubben, J.M.,Paxman, J.J.,Dogovski, C.,Parker, M.W.,Perugini, M.A. Cold enzymology offers insight into molecular evolution in quaternary structure To be Published 0 0 0 0 4ML1 24311786 Disulfide isomerase (DsbP) from multidrug resistance IncA/C transferable plasmid in oxidized state (P212121 space group) 2013-09-06 2013-12-11 Premkumar, L.,Kurth, F.,Neyer, S.,Schembri, M.A.,Martin, J.L. The Multidrug Resistance IncA/C Transferable Plasmid Encodes a Novel Domain-swapped Dimeric Protein-disulfide Isomerase. J.Biol.Chem. 2014 289 2563 2576 4ML6 24311786 Disulfide isomerase from multidrug resistance IncA/C conjugative plasmid in reduced state 2013-09-06 2013-12-11 Premkumar, L.,Kurth, F.,Neyer, S.,Schembri, M.A.,Martin, J.L. The Multidrug Resistance IncA/C Transferable Plasmid Encodes a Novel Domain-swapped Dimeric Protein-disulfide Isomerase. J.Biol.Chem. 2014 289 2563 2576 4IDM 24699642 Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis 2012-12-12 2013-12-18 Lagautriere, T.,Bashiri, G.,Paterson, N.G.,Berney, M.,Cook, G.M.,Baker, E.N. Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies. Acta Crystallogr.,Sect.D 2014 70 968 980 4IHI 24699642 Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis bound with NAD 2012-12-18 2013-12-18 Lagautriere, T.,Bashiri, G.,Paterson, N.G.,Berney, M.,Cook, G.M.,Baker, E.N. Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies. Acta Crystallogr.,Sect.D 2014 70 968 980 4JDC 24699642 Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis 2013-02-24 2013-12-18 Lagautriere, T.,Bashiri, G.,Paterson, N.G.,Berney, M.,Cook, G.M.,Baker, E.N. Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies. Acta Crystallogr.,Sect.D 2014 70 968 980 3WNE Cyclic hexapeptide PKIDNG in complex with HIV-1 integrase 2013-12-09 2013-12-25 Northfield, S.E.,Wielens, J.,Headey, S.J.,Mulcair, M.,Scanlon, M.J.,Parker, M.W.,Thompson, P.E.,Chalmers, D.K. Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase to be published 0 0 0 0 3WNF Cyclic hexapeptide CKIDNC in complex with HIV-1 integrase 2013-12-09 2013-12-25 Northfield, S.E.,Wielens, J.,Headey, S.J.,Mulcair, M.,Scanlon, M.J.,Parker, M.W.,Thompson, P.E.,Chalmers, D.K. Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase to be published 0 0 0 0 3WNG Cyclic hexapeptide PKIDNp in complex with HIV-1 integrase 2013-12-09 2013-12-25 Northfield, S.E.,Wielens, J.,Headey, S.J.,Mulcair, M.,Scanlon, M.J.,Parker, M.W.,Thompson, P.E.,Chalmers, D.K. Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase to be published 0 0 0 0 3WNH Cyclic hexapeptide PKZDNv in complex with HIV-1 integrase 2013-12-10 2013-12-25 Northfield, S.E.,Wielens, J.,Headey, S.J.,Mulcair, M.,Scanlon, M.J.,Parker, M.W.,Thompson, P.E.,Chalmers, D.K. Hexapeptide mimetics of LEDGF in complex with HIV-1 integrase to be published 0 0 0 0 4IJ1 24623674 Bianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (AnPRT; trpD) in absence of substrates. 2012-12-20 2013-12-25 Evans, G.L.,Gamage, S.A.,Bulloch, E.M.,Baker, E.N.,Denny, W.A.,Lott, J.S. Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis. Chembiochem 2014 15 852 864 4IJ2 24425866 Human methemoglobin in complex with the second and third NEAT domains of IsdH from Staphylococcus aureus 2012-12-21 2013-12-25 Dickson, C.F.,Krishna Kumar, K.,Jacques, D.A.,Malmirchegini, G.R.,Spirig, T.,Mackay, J.P.,Clubb, R.T.,Guss, J.M.,Gell, D.A. Structure of the Hemoglobin-IsdH Complex Reveals the Molecular Basis of Iron Capture by Staphylococcus aureus J.Biol.Chem. 2014 289 6728 6738 4NXT 24515348 Crystal structure of the cytosolic domain of human MiD51 2013-12-09 2013-12-25 Richter, V.,Palmer, C.S.,Osellame, L.D.,Singh, A.P.,Elgass, K.,Stroud, D.A.,Sesaki, H.,Kvansakul, M.,Ryan, M.T. Structural and functional analysis of MiD51, a dynamin receptor required for mitochondrial fission. J.Cell Biol. 2014 204 477 486 4NXU 24515348 Crystal structure of the cytosolic domain of human MiD51 2013-12-09 2013-12-25 Richter, V.,Palmer, C.S.,Osellame, L.D.,Singh, A.P.,Elgass, K.,Stroud, D.A.,Sesaki, H.,Kvansakul, M.,Ryan, M.T. Structural and functional analysis of MiD51, a dynamin receptor required for mitochondrial fission. J.Cell Biol. 2014 204 477 486 4NXV 24515348 Crystal structure of the cytosolic domain of human MiD51 2013-12-09 2013-12-25 Richter, V.,Palmer, C.S.,Osellame, L.D.,Singh, A.P.,Elgass, K.,Stroud, D.A.,Sesaki, H.,Kvansakul, M.,Ryan, M.T. Structural and functional analysis of MiD51, a dynamin receptor required for mitochondrial fission. J.Cell Biol. 2014 204 477 486 4NXW 24515348 Crystal structure of the cytosolic domain of human MiD51 2013-12-09 2013-12-25 Richter, V.,Palmer, C.S.,Osellame, L.D.,Singh, A.P.,Elgass, K.,Stroud, D.A.,Sesaki, H.,Kvansakul, M.,Ryan, M.T. Structural and functional analysis of MiD51, a dynamin receptor required for mitochondrial fission. J.Cell Biol. 2014 204 477 486 4NXX 24515348 Crystal structure of the cytosolic domain of human MiD51 2013-12-09 2013-12-25 Richter, V.,Palmer, C.S.,Osellame, L.D.,Singh, A.P.,Elgass, K.,Stroud, D.A.,Sesaki, H.,Kvansakul, M.,Ryan, M.T. Structural and functional analysis of MiD51, a dynamin receptor required for mitochondrial fission. J.Cell Biol. 2014 204 477 486 4NQ1 Legionella pneumophila dihydrodipicolinate synthase with first substrate pyruvate bound in the active site 2013-11-23 2014-01-01 Siddiqui, T.,Paxman, J.J.,Dogovski, C.,Panjikar, S.,Perugini, M.A. Legionella pneumophila DHDPS: The First Case of Non-Lysine Inhibition in a Gram-Negative Pathogen To be Published 0 0 0 0 4O5J 24375407 Crystal structure of SabA from Helicobacter pylori 2013-12-19 2014-01-01 Pang, S.S.,Nguyen, S.T.S.,Perry, A.J.,Day, C.J.,Panjikar, S.,Tiralongo, J.,Whisstock, J.C.,Kwok, T. The three-dimensional structure of the extracellular adhesion domain of the sialic acid-binding adhesin SabA from Helicobacter pylori J.Biol.Chem. 2013 289 6332 6340 4O5J 24375407 Crystal structure of SabA from Helicobacter pylori 2013-12-19 2014-01-01 Pang, S.S.,Nguyen, S.T.S.,Perry, A.J.,Day, C.J.,Panjikar, S.,Tiralongo, J.,Whisstock, J.C.,Kwok, T. The three-dimensional structure of the extracellular adhesion domain of the sialic acid-binding adhesin SabA from Helicobacter pylori J.Biol.Chem. 2013 289 6332 6340 3ZLF 25807546 Structure of group A Streptococcal enolase K312A mutant 2013-01-31 2014-02-05 Cork, A.J.,Ericsson, D.J.,Law, R.H.P.,Casey, L.W.,Valkov, E.,Bertozzi, C.,Stamp, A.,Jovcevski, B.,Aquilina, J.A.,Whisstock, J.C.,Walker, M.J.,Kobe, B. Stability of the Octameric Structure Affects Plasminogen-Binding Capacity of Streptococcal Enolase. Plos One 2015 10 21764 0 3ZLG 25807546 Structure of group A Streptococcal enolase K362A mutant 2013-01-31 2014-02-05 Cork, A.J.,Ericsson, D.J.,Law, R.H.P.,Casey, L.W.,Valkov, E.,Bertozzi, C.,Stamp, A.,Jovcevski, B.,Aquilina, J.A.,Whisstock, J.C.,Walker, M.J.,Kobe, B. Stability of the Octameric Structure Affects Plasminogen-Binding Capacity of Streptococcal Enolase. Plos One 2015 10 21764 0 3ZLH 25807546 Structure of group A Streptococcal enolase 2013-01-31 2014-02-05 Cork, A.J.,Ericsson, D.J.,Law, R.H.P.,Casey, L.W.,Valkov, E.,Bertozzi, C.,Stamp, A.,Jovcevski, B.,Aquilina, J.A.,Whisstock, J.C.,Walker, M.J.,Kobe, B. Stability of the Octameric Structure Affects Plasminogen-Binding Capacity of Streptococcal Enolase. Plos One 2015 10 21764 0 4LL5 24531473 Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002 2013-07-09 2014-02-12 Parker, L.J.,Taruya, S.,Tsuganezawa, K.,Ogawa, N.,Mikuni, J.,Honda, K.,Tomabechi, Y.,Handa, N.,Shirouzu, M.,Yokoyama, S.,Tanaka, A. Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D 2014 70 392 404 4M20 24637766 Crystal Structure of hypothetical protein SAV0944 from Staphylococcus aureus subsp. aureus Mu50 2013-08-05 2014-02-12 Khandokar, Y.B.,Roman, N.,Smith, K.M.,Srivastava, P.,Forwood, J.K. Expression, purification, crystallization and preliminary X-ray analysis of the PaaI-like thioesterase SAV0944 from Staphylococcus aureus. Acta Crystallogr F Struct Biol 2014 70 244 247 4BPL 24503158 rice importin_alpha in complex with nucleoplasmin NLS 2013-05-27 2014-02-19 Chang, C.-W.,Williams, S.J.,Counago, R.M.,Kobe, B. Structural Basis of Interaction of Bipartite Nuclear Localization Signal from Agrobacterium Vird2 with Rice Importin-Alpha Mol.Plant 2014 7 1061 0 4BQK 24503158 rice importin_alpha : VirD2NLS complex 2013-05-31 2014-02-19 Chang, C.-W.,Williams, S.J.,Counago, R.M.,Kobe, B. Structural Basis of Interaction of Bipartite Nuclear Localization Signal from Agrobacterium Vird2 with Rice Importin-Alpha Mol.Plant 2014 7 1061 0 4NWZ 24444429 Structure of bacterial type II NADH dehydrogenase from Caldalkalibacillus thermarum at 2.5A resolution 2013-12-07 2014-02-19 Heikal, A.,Nakatani, Y.,Dunn, E.,Weimar, M.R.,Day, C.L.,Baker, E.N.,Lott, J.S.,Sazanov, L.A.,Cook, G.M. Structure of the bacterial type II NADH dehydrogenase: a monotopic membrane protein with an essential role in energy generation. Mol.Microbiol. 2014 91 950 964 4OIH 24339986 Importin Alpha in Complex with the Bipartite NLS of Prp20 2014-01-19 2014-02-19 Roman, N.,Christie, M.,Swarbrick, C.M.D.,Kobe, B.,Forwood, J.K. Structural Characterisation of the Nuclear Import Receptor Importin Alpha in Complex with the Bipartite NLS of Prp20 Plos One 2013 8 0 0 4JQ1 AKR1C2 complex with naproxen 2013-03-19 2014-04-02 Yosaatmadja, Y.,Flanagan, J.U.,Squire, C.J. Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published 0 0 0 0 4JQ2 AKR1C2 complex with sulindac 2013-03-19 2014-04-02 Yosaatmadja, Y.,Flanagan, J.U.,Squire, C.J. Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published 0 0 0 0 4JQ3 AKR1C2 complex with zomepirac 2013-03-19 2014-04-02 Yosaatmadja, Y.,Flanagan, J.U.,Squire, C.J. Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published 0 0 0 0 4JQ4 AKR1C2 complex with indomethacin 2013-03-19 2014-04-02 Yosaatmadja, Y.,Flanagan, J.U.,Squire, C.J. Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published 0 0 0 0 4JQA AKR1C2 complex with mefenamic acid 2013-03-20 2014-04-02 Yosaatmadja, Y.,Flanagan, J.U.,Squire, C.J. Structural basis of NSAID selectivity for the aldo-keto reductase 1C family To be Published 0 0 0 0 4JTQ AKR1C2 complex with flurbiprofen 2013-03-24 2014-04-02 Yosaatmadja, Y.,Flanagan, J.U.,Squire, C.J. Structural basis of NSAID selectivity for the AKR1C family To be Published 0 0 0 0 4JTR AKR1C2 complex with ibuprofen 2013-03-24 2014-04-02 Yosaatmadja, Y.,Flanagan, J.U.,Squire, C.J. Structural basis of NSAID selectivity for the AKR1C family To be Published 0 0 0 0 4NON 24649829 Crystal structure of GDP-bound A143S mutant of the S. thermophilus FeoB G-domain 2013-11-20 2014-04-02 Guilfoyle, A.P.,Deshpande, C.N.,Vincent, K.,Pedroso, M.M.,Schenk, G.,Maher, M.J.,Jormakka, M. Structural and functional analysis of a FeoB A143S G5 loop mutant explains the accelerated GDP release rate. Febs J. 2014 281 2254 2265 4BPI 23929624 Mcl-1 bound to alpha beta Puma BH3 peptide 2 2013-05-27 2014-04-09 Smith, B.J.,Lee, E.F.,Checco, J.W.,Evangelista, M.,Gellman, S.H.,Fairlie, W.D. Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins. Chembiochem 2013 14 1564 0 4BPJ 23929624 Mcl-1 bound to alpha beta Puma BH3 peptide 3 2013-05-27 2014-04-09 Smith, B.J.,Lee, E.F.,Checco, J.W.,Evangelista, M.,Gellman, S.H.,Fairlie, W.D. Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins. Chembiochem 2013 14 1564 0 4BPK 23929624 Bcl-xL bound to alpha beta Puma BH3 peptide 5 2013-05-27 2014-04-09 Smith, B.J.,Lee, E.F.,Checco, J.W.,Evangelista, M.,Gellman, S.H.,Fairlie, W.D. Structure-Guided Rational Design of Alpha/Beta-Peptide Foldamers with High Affinity for Bcl-2 Family Prosurvival Proteins. Chembiochem 2013 14 1564 0 4JZJ 25043189 Crystal Structure of Receptor-Fab Complex 2013-04-03 2014-04-09 Broughton, S.E.,Hercus, T.R.,Hardy, M.P.,McClure, B.J.,Nero, T.L.,Dottore, M.,Huynh, H.,Braley, H.,Barry, E.F.,Kan, W.L.,Dhagat, U.,Scotney, P.,Hartman, D.,Busfield, S.J.,Owczarek, C.M.,Nash, A.D.,Wilson, N.J.,Parker, M.W.,Lopez, A.F. Dual mechanism of interleukin-3 receptor blockade by an anti-cancer antibody Cell Rep 2014 8 410 419 4JZQ Crystal structure of human CLIC1 C24D mutant 2013-04-03 2014-04-09 Phang, J.M.,Harrop, S.J.,Duff, A.P.,Wilk, K.E.,Curmi, P.M.G. Crystal structure analysis of CLIC1 C24 mutants To be Published 0 0 0 0 4K0N Crystal structure of human CLIC1 C24A mutant 2013-04-04 2014-04-09 Phang, J.M.,Harrop, S.J.,Duff, A.P.,Wilk, K.E.,Curmi, P.M.G. Crystal structure analysis of CLIC1 C24 mutants To be Published 0 0 0 0 4K1E 27767076 Atomic resolution crystal structures of Kallikrein-Related Peptidase 4 complexed with a modified SFTI inhibitor FCQR 2013-04-04 2014-04-09 Riley, B.T.,Ilyichova, O.,Costa, M.G.S.,Porebski, B.T.,de Veer, S.J.,Swedberg, J.E.,Kass, I.,Harris, J.M.,Hoke, D.E.,Buckle, A.M. Direct and indirect mechanisms of KLK4 inhibition revealed by structure and dynamics Sci Rep 2016 6 35385 35385 4CQ0 24689792 Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes 2014-02-10 2014-04-16 Moeker, J.,Peat, T.S.,Bornaghi, L.F.,Vullo, D.,Supuran, C.T.,Poulsen, S. Cyclic Secondary Sulfonamides: Unusually Good Inhibitors of Cancer-Related Carbonic Anhydrase Enzymes. 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A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med. 2014 211 1585 1600 4PJC 25049336 Structure of human MR1-5-OP-RU in complex with human MAIT C-A11 TCR 2014-05-12 2014-07-02 Eckle, S.B.,Birkinshaw, R.W.,Kostenko, L.,Corbett, A.J.,McWilliam, H.E.,Reantragoon, R.,Chen, Z.,Gherardin, N.A.,Beddoe, T.,Liu, L.,Patel, O.,Meehan, B.,Fairlie, D.P.,Villadangos, J.A.,Godfrey, D.I.,Kjer-Nielsen, L.,McCluskey, J.,Rossjohn, J. A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med. 2014 211 1585 1600 4PJD 25049336 Structure of human MR1-5-OP-RU in complex with human MAIT C-C10 TCR 2014-05-12 2014-07-02 Eckle, S.B.,Birkinshaw, R.W.,Kostenko, L.,Corbett, A.J.,McWilliam, H.E.,Reantragoon, R.,Chen, Z.,Gherardin, N.A.,Beddoe, T.,Liu, L.,Patel, O.,Meehan, B.,Fairlie, D.P.,Villadangos, J.A.,Godfrey, D.I.,Kjer-Nielsen, L.,McCluskey, J.,Rossjohn, J. A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med. 2014 211 1585 1600 4PJE 25049336 Structure of human MR1-Ac-6-FP in complex with human MAIT B-B10 TCR 2014-05-12 2014-07-02 Eckle, S.B.,Birkinshaw, R.W.,Kostenko, L.,Corbett, A.J.,McWilliam, H.E.,Reantragoon, R.,Chen, Z.,Gherardin, N.A.,Beddoe, T.,Liu, L.,Patel, O.,Meehan, B.,Fairlie, D.P.,Villadangos, J.A.,Godfrey, D.I.,Kjer-Nielsen, L.,McCluskey, J.,Rossjohn, J. A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med. 2014 211 1585 1600 4PJG 25049336 Structure of human MR1-Ac-6-FP in complex with human MAIT B-F3-C1 TCR 2014-05-12 2014-07-02 Eckle, S.B.,Birkinshaw, R.W.,Kostenko, L.,Corbett, A.J.,McWilliam, H.E.,Reantragoon, R.,Chen, Z.,Gherardin, N.A.,Beddoe, T.,Liu, L.,Patel, O.,Meehan, B.,Fairlie, D.P.,Villadangos, J.A.,Godfrey, D.I.,Kjer-Nielsen, L.,McCluskey, J.,Rossjohn, J. A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med. 2014 211 1585 1600 4PJH 25049336 Structure of human MR1-Ac-6-FP in complex with human MAIT B-G8 TCR 2014-05-12 2014-07-02 Eckle, S.B.,Birkinshaw, R.W.,Kostenko, L.,Corbett, A.J.,McWilliam, H.E.,Reantragoon, R.,Chen, Z.,Gherardin, N.A.,Beddoe, T.,Liu, L.,Patel, O.,Meehan, B.,Fairlie, D.P.,Villadangos, J.A.,Godfrey, D.I.,Kjer-Nielsen, L.,McCluskey, J.,Rossjohn, J. A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med. 2014 211 1585 1600 4PJI 25049336 Structure of human MR1-Ac-6-FP in complex with human MAIT C-C10 TCR 2014-05-12 2014-07-02 Eckle, S.B.,Birkinshaw, R.W.,Kostenko, L.,Corbett, A.J.,McWilliam, H.E.,Reantragoon, R.,Chen, Z.,Gherardin, N.A.,Beddoe, T.,Liu, L.,Patel, O.,Meehan, B.,Fairlie, D.P.,Villadangos, J.A.,Godfrey, D.I.,Kjer-Nielsen, L.,McCluskey, J.,Rossjohn, J. A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med. 2014 211 1585 1600 4PJX 25049336 Structure of human MR1-Ac-6-FP in complex with human MAIT C-A11 TCR 2014-05-12 2014-07-02 Eckle, S.B.,Birkinshaw, R.W.,Kostenko, L.,Corbett, A.J.,McWilliam, H.E.,Reantragoon, R.,Chen, Z.,Gherardin, N.A.,Beddoe, T.,Liu, L.,Patel, O.,Meehan, B.,Fairlie, D.P.,Villadangos, J.A.,Godfrey, D.I.,Kjer-Nielsen, L.,McCluskey, J.,Rossjohn, J. A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells. J.Exp.Med. 2014 211 1585 1600 4PJF 25049336 Structure of human MR1-Ac-6-FP in complex with human MAIT B-C10 TCR 2014-05-12 2014-07-09 Eckle, S.B.,Birkinshaw, R.W.,Kostenko, L.,Corbett, A.J.,McWilliam, H.E.,Reantragoon, R.,Chen, Z.,Gherardin, N.A.,Beddoe, T.,Liu, L.,Patel, O.,Meehan, B.,Fairlie, D.P.,Villadangos, J.A.,Godfrey, D.I.,Kjer-Nielsen, L.,McCluskey, J.,Rossjohn, J. 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J.Biol.Chem. 2014 289 23753 23763 4OZR 25004972 Crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (methylene lactam crystal) 2014-02-18 2014-07-30 Ren, B.,Peat, T.S.,Streltsov, V.A.,Pollard, M.,Fernley, R.,Grusovin, J.,Seabrook, S.,Pilling, P.,Phan, T.,Lu, L.,Lovrecz, G.O.,Graham, L.D.,Hill, R.J. Unprecedented conformational flexibility revealed in the ligand-binding domains of the Bovicola ovis ecdysone receptor (EcR) and ultraspiracle (USP) subunits. Acta Crystallogr.,Sect.D 2014 70 1954 1964 3WF7 25078151 Crystal structure of S6K1 kinase domain in complex with a purine derivative 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide 2013-07-17 2014-08-06 Niwa, H.,Mikuni, J.,Sasaki, S.,Tomabechi, Y.,Honda, K.,Ikeda, M.,Ohsawa, N.,Wakiyama, M.,Handa, N.,Shirouzu, M.,Honma, T.,Tanaka, A.,Yokoyama, S. 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J.Struct.Biol. 2014 187 276 281 4UTP 25731976 Crystal structure of pneumococcal surface antigen PsaA in the Cd- bound, closed state 2014-07-22 2014-08-13 Begg, S.L.,Eijkelkamp, B.A.,Luo, Z.,Counago, R.M.,Morey, J.R.,Maher, M.J.,Ong, C.L.,McEwan, A.G.,Kobe, B.,O'Mara, M.L.,Paton, J.C.,McDevitt, C.A. Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae. Nat Commun 2015 6 6418 6418 4N31 24911348 Structure and activity of Streptococcus pyogenes SipA: a signal peptidase homologue essential for pilus polymerisation 2013-10-06 2014-08-20 Young, P.G.,Proft, T.,Harris, P.W.,Brimble, M.A.,Baker, E.N. Structure and activity of Streptococcus pyogenes SipA: a signal peptidase-like protein essential for pilus polymerisation. Plos One 2014 9 0 0 4MBT 25463627 Structure of haze forming proteins in white wines: Vitis vinifera thaumatin-like proteins 2013-08-19 2014-08-27 Marangon, M.,Van Sluyter, S.C.,Waters, E.J.,Menz, R.I. Structure of Haze Forming Proteins in White Wines: Vitis vinifera Thaumatin-Like Proteins. Plos One 2014 9 0 0 4NIB 25092300 Crystal structure of human insulin mutant B20 D-ala, B23 D-ala 2013-11-05 2014-08-27 Menting, J.G.,Yang, Y.,Chan, S.J.,Phillips, N.B.,Smith, B.J.,Whittaker, J.,Wickramasinghe, N.P.,Whittaker, L.J.,Pandyarajan, V.,Wan, Z.L.,Yadav, S.P.,Carroll, J.M.,Strokes, N.,Roberts, C.T.,Ismail-Beigi, F.,Milewski, W.,Steiner, D.F.,Chauhan, V.S.,Ward, C.W.,Weiss, M.A.,Lawrence, M.C. Protective hinge in insulin opens to enable its receptor engagement. Proc.Natl.Acad.Sci.USA 2014 111 0 0 4OGA 25092300 Insulin in complex with Site 1 of the human insulin receptor 2014-01-15 2014-08-27 Menting, J.G.,Yang, Y.,Chan, S.J.,Phillips, N.B.,Smith, B.J.,Whittaker, J.,Wickramasinghe, N.P.,Whittaker, L.J.,Pandyarajan, V.,Wan, Z.L.,Yadav, S.P.,Carroll, J.M.,Strokes, N.,Roberts, C.T.,Ismail-Beigi, F.,Milewski, W.,Steiner, D.F.,Chauhan, V.S.,Ward, C.W.,Weiss, M.A.,Lawrence, M.C. 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Protective hinge in insulin opens to enable its receptor engagement. Proc.Natl.Acad.Sci.USA 2014 111 0 0 4MBU 25118709 Crystal structure of N-acetyltransferase from Staphylococcus aureus Mu50 2013-08-19 2014-09-03 Srivastava, P.,Khandokar, Y.B.,Swarbrick, C.M.,Roman, N.,Himiari, Z.,Sarker, S.,Raidal, S.R.,Forwood, J.K. Structural characterization of a Gcn5-related N-acetyltransferase from Staphylococcus aureus. Plos One 2014 9 0 0 4MHL 25195742 The crystal structure of human interleukin-11 2013-08-29 2014-09-03 Putoczki, T.L.,Dobson, R.C.,Griffin, M.D. The structure of human interleukin-11 reveals receptor-binding site features and structural differences from interleukin-6. Acta Crystallogr.,Sect.D 2014 70 2277 2285 4QQV 25137390 Extracellular domains of mouse IL-3 beta receptor 2014-06-30 2014-09-03 Carr, P.D.,Ewens, C.L.,Dai, J.,Ollis, D.L.,Murphy, J.M.,Jackson, C.J.,Young, I.G. Crystal structure of the mouse interleukin-3 beta-receptor: insights into interleukin-3 binding and receptor activation. Biochem.J. 2014 463 393 403 4MN5 Crystal structure of PAS domain of S. aureus YycG 2013-09-10 2014-09-10 Shaikh, N.,Hvorup, R.,Winnen, B.,Collins, B.M.,King, G.F. Crystal structure of PAS domain of S. aureus YycG To be Published 0 0 0 0 4MN6 Crystal structure of truncated PAS domain from S. aureus YycG 2013-09-10 2014-09-10 Shaikh, N.,Hvorup, R.,Winnen, B.,Collins, B.M.,King, G.F. Crystal structure of PAS domain of S. aureus YycG To be Published 0 0 0 0 4NSS 25195741 A structural and functional investigation of a novel protein from Mycobacterium smegmatis implicated in mycobacterial macrophage survivability 2013-11-28 2014-09-10 Shahine, A.,Littler, D.,Brammananath, R.,Chan, P.Y.,Crellin, P.K.,Coppel, R.L.,Rossjohn, J.,Beddoe, T. 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Bak Core and Latch Domains Separate during Activation, and Freed Core Domains Form Symmetric Homodimers. Mol.Cell 2014 55 938 946 4U2V 25175025 Bak BH3-in-Groove dimer (GFP) 2014-07-18 2014-09-10 Brouwer, J.M.,Westphal, D.,Dewson, G.,Robin, A.Y.,Uren, R.T.,Bartolo, R.,Thompson, G.V.,Colman, P.M.,Kluck, R.M.,Czabotar, P.E. Bak Core and Latch Domains Separate during Activation, and Freed Core Domains Form Symmetric Homodimers. Mol.Cell 2014 55 938 946 4M85 Crystal structure of N-acetyltransferase from Staphylococcus aureus Mu50 2013-08-12 2014-09-17 Srivastava, P.,Khandokar, Y.,Forwood, J.K. Expression,purification and X-ray crystallography of N-acetyltransferase from Staphylococcus aureus To be Published 0 0 0 0 4MTQ 25411134 Ni-bound GloA2 2013-09-20 2014-09-24 Bythell-Douglas, R.,Suttisansanee, U.,Flematti, G.R.,Challenor, M.,Lee, M.,Panjikar, S.,Honek, J.F.,Bond, C.S. The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity. Chemistry 2015 21 541 544 4MTR 25411134 Zn-bound GloA2 2013-09-20 2014-09-24 Bythell-Douglas, R.,Suttisansanee, U.,Flematti, G.R.,Challenor, M.,Lee, M.,Panjikar, S.,Honek, J.F.,Bond, C.S. The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity. Chemistry 2015 21 541 544 4MTS 25411134 Ni- and Zn-bound GloA2 at high resolution 2013-09-20 2014-09-24 Bythell-Douglas, R.,Suttisansanee, U.,Flematti, G.R.,Challenor, M.,Lee, M.,Panjikar, S.,Honek, J.F.,Bond, C.S. The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity. Chemistry 2015 21 541 544 4MTT 25411134 Ni- and Zn-bound GloA2 at low resolution 2013-09-20 2014-09-24 Bythell-Douglas, R.,Suttisansanee, U.,Flematti, G.R.,Challenor, M.,Lee, M.,Panjikar, S.,Honek, J.F.,Bond, C.S. The crystal structure of a homodimeric Pseudomonas glyoxalase I enzyme reveals asymmetric metallation commensurate with half-of-sites activity. Chemistry 2015 21 541 544 4R9Z Mycobacterium avium subs paratuberculosis tesB protein MAP1729c 2014-09-08 2014-10-08 Swarbrick, C.M.D.,Forwood, J.K. Mycobacterium avium subs paratuberculosis tesB protein MAP1729c TO BE PUBLISHED 0 0 0 0 4P4S 25295396 GMPPCP-bound stalkless-MxA 2014-03-13 2014-10-22 Rennie, M.L.,McKelvie, S.A.,Bulloch, E.M.,Kingston, R.L. Transient Dimerization of Human MxA Promotes GTP Hydrolysis, Resulting in a Mechanical Power Stroke. Structure 2014 22 1433 1445 4P4T 25295396 GDP-bound stalkless-MxA 2014-03-13 2014-10-22 Rennie, M.L.,McKelvie, S.A.,Bulloch, E.M.,Kingston, R.L. Transient Dimerization of Human MxA Promotes GTP Hydrolysis, Resulting in a Mechanical Power Stroke. Structure 2014 22 1433 1445 4WAT 25296023 Crystal structure of PfRh5, an essential P. falciparum ligand for invasion of human erythrocytes 2014-09-01 2014-10-22 Chen, L.,Xu, Y.,Healer, J.,Thompson, J.K.,Smith, B.J.,Lawrence, M.C.,Cowman, A.F. Crystal structure of PfRh5, an essential P. falciparum ligand for invasion of human erythrocytes. Elife 2014 3 0 0 4N1C 28356519 Structural evidence for antigen receptor evolution 2013-10-03 2014-10-29 Rouet, R.,Langley, D.B.,Schofield, P.,Christie, M.,Roome, B.,Porebski, B.T.,Buckle, A.M.,Clifton, B.E.,Jackson, C.J.,Stock, D.,Christ, D. Structural reconstruction of protein ancestry. Proc. Natl. Acad. Sci. U.S.A. 2017 114 3897 3902 4R6T 25299353 Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor 2014-08-26 2014-10-29 Mistry, S.N.,Drinkwater, N.,Ruggeri, C.,Sivaraman, K.K.,Loganathan, S.,Fletcher, S.,Drag, M.,Paiardini, A.,Avery, V.M.,Scammells, P.J.,McGowan, S. Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors. J.Med.Chem. 2014 57 9168 9183 4R76 25299353 Structure of the m17 leucyl aminopeptidase from malaria complexed with a hydroxamic acid-based inhibitor 2014-08-27 2014-10-29 Mistry, S.N.,Drinkwater, N.,Ruggeri, C.,Sivaraman, K.K.,Loganathan, S.,Fletcher, S.,Drag, M.,Paiardini, A.,Avery, V.M.,Scammells, P.J.,McGowan, S. Two-Pronged Attack: Dual Inhibition of Plasmodium falciparum M1 and M17 Metalloaminopeptidases by a Novel Series of Hydroxamic Acid-Based Inhibitors. 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Mol.Microbiol. 2015 97 439 453 4XXF 27827354 L-fuculose 1-phosphate aldolase from Glaciozyma antarctica PI12 2015-01-30 2015-02-25 Jaafar, N.R.,Littler, D.,Beddoe, T.,Rossjohn, J.,Illias, R.M.,Mahadi, N.M.,Mackeen, M.M.,Murad, A.M.,Abu Bakar, F.D. Crystal structure of fuculose aldolase from the Antarctic psychrophilic yeast Glaciozyma antarctica PI12. Acta Crystallogr.,Sect.F 2016 72 831 839 4CQB 26390431 The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies 2014-02-13 2015-03-04 Balotra, S.,Warden, A.C.,Newman, J.,Briggs, L.J.,Scott, C.,Peat, T.S. X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc Plos One 2015 1 37700 0 4CQC 26390431 The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies 2014-02-13 2015-03-04 Balotra, S.,Warden, A.C.,Newman, J.,Briggs, L.J.,Scott, C.,Peat, T.S. X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc Plos One 2015 1 37700 0 4CQD 26390431 The reaction mechanism of the N-isopropylammelide isopropylaminohydrolase AtzC: insights from structural and mutagenesis studies 2014-02-13 2015-03-04 Balotra, S.,Warden, A.C.,Newman, J.,Briggs, L.J.,Scott, C.,Peat, T.S. X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc Plos One 2015 1 37700 0 4OE9 30067224 The crystal structure of the n-terminal domain of COMMD9 2014-01-12 2015-03-04 Healy, M.D.,Hospenthal, M.K.,Hall, R.J.,Chandra, M.,Chilton, M.,Tillu, V.,Chen, K.E.,Celligoi, D.J.,McDonald, F.J.,Cullen, P.J.,Lott, J.S.,Collins, B.M.,Ghai, R. Structural insights into the architecture and membrane interactions of the conserved COMMD proteins. Elife 2018 7 0 0 4PGJ 25737448 Human heavy-chain domain antibody in complex with hen egg-white lysozyme 2014-05-02 2015-03-11 Rouet, R.,Dudgeon, K.,Christie, M.,Langley, D.,Christ, D. Fully Human VH Single Domains That Rival the Stability and Cleft Recognition of Camelid Antibodies. J.Biol.Chem. 2015 290 11905 11917 4TXA Crystal structure of N-terminus of Roquin 2014-07-03 2015-03-11 kershaw, N.J. N/A To Be Published 0 0 0 0 4U3X 25737448 Structure of a human VH antibody domain binding to the cleft of hen egg lysozyme 2014-07-23 2015-03-11 Rouet, R.,Dudgeon, K.,Christie, M.,Langley, D.,Christ, D. Fully Human VH Single Domains That Rival the Stability and Cleft Recognition of Camelid Antibodies J.Biol.Chem. 2015 290 11905 11917 4UTO 25731976 Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state 2014-07-22 2015-03-11 Begg, S.L.,Eijkelkamp, B.A.,Luo, Z.,Counago, R.M.,Morey, J.R.,Maher, M.J.,Ong, C.L.,McEwan, A.G.,Kobe, B.,O'Mara, M.L.,Paton, J.C.,McDevitt, C.A. Dysregulation of transition metal ion homeostasis is the molecular basis for cadmium toxicity in Streptococcus pneumoniae. Nat Commun 2015 6 6418 6418 4V1X 25760618 The structure of the hexameric atrazine chlorohydrolase, AtzA 2014-10-04 2015-03-11 Peat, T.S.,Newman, J.,Balotra, S.,Lucent, D.,Warden, A.C.,Scott, C. The Structure of the Hexameric Atrazine Chlorohydrolase Atza. Acta Crystallogr.,Sect.D 2015 71 710 0 4V1Y 25760618 The structure of the hexameric atrazine chlorohydrolase, AtzA 2014-10-04 2015-03-11 Peat, T.S.,Newman, J.,Balotra, S.,Lucent, D.,Warden, A.C.,Scott, C. The Structure of the Hexameric Atrazine Chlorohydrolase Atza. Acta Crystallogr.,Sect.D 2015 71 710 0 4XBM 25715738 X-ray crystal structure of Notch ligand Delta-like 1 2014-12-17 2015-03-11 Kershaw, N.J.,Church, N.L.,Griffin, M.D.,Luo, C.S.,Adams, T.E.,Burgess, A.W. Notch ligand delta-like1: X-ray crystal structure and binding affinity. Biochem.J. 2015 468 159 166 3WYR 25759384 Crystal structure of Killer cell immunoglobulin-like receptor 2DL4 2014-09-07 2015-03-18 Moradi, S.,Berry, R.,Pymm, P.,Hitchen, C.,Beckham, S.A.,Wilce, M.C.,Walpole, N.G.,Clements, C.S.,Reid, H.H.,Perugini, M.A.,Brooks, A.G.,Rossjohn, J.,Vivian, J.P. The structure of the atypical killer cell immunoglobulin-like receptor, KIR2DL4. J.Biol.Chem. 2015 290 10460 10471 4QKV 25453557 Crystal structure of the mouse cavin1 HR1 domain 2014-06-10 2015-03-18 Kovtun, O.,Tillu, V.A.,Jung, W.,Leneva, N.,Ariotti, N.,Chaudhary, N.,Mandyam, R.A.,Ferguson, C.,Morgan, G.P.,Johnston, W.A.,Harrop, S.J.,Alexandrov, K.,Parton, R.G.,Collins, B.M. Structural insights into the organization of the cavin membrane coat complex Dev.Cell 2014 31 405 419 4QKW 25453557 Crystal structure of the zebrafish cavin4a HR1 domain 2014-06-10 2015-03-18 Kovtun, O.,Tillu, V.A.,Jung, W.,Leneva, N.,Ariotti, N.,Chaudhary, N.,Mandyam, R.A.,Ferguson, C.,Morgan, G.P.,Johnston, W.A.,Harrop, S.J.,Alexandrov, K.,Parton, R.G.,Collins, B.M. Structural insights into the organization of the cavin membrane coat complex Dev.Cell 2014 31 405 419 5AKQ 26390431 X-ray structure and mutagenesis studies of the N-isopropylammelide isopropylaminohydrolase, AtzC 2015-03-05 2015-03-18 Balotra, S.,Warden, A.C.,Newman, J.,Briggs, L.J.,Scott, C.,Peat, T.S. X-Ray Structure and Mutagenesis Studies of the N-Isopropylammelide Isopropylaminohydrolase, Atzc Plos One 2015 1 37700 0 5AJJ 25766319 Crystal structure of variola virus virulence factor F1L in complex with human Bid BH3 domain 2015-02-25 2015-03-25 Marshall, B.,Puthalakath, H.,Caria, S.,Chugh, S.,Doerflinger, M.,Colman, P.M.,Kvansakul, M. Variola Virus F1L is a Bcl-2-Like Protein that Unlike its Vaccinia Virus Counterpart Inhibits Apoptosis Independent of Bim. Cell Death Dis. 2015 6 0 0 5AJK 25766319 Crystal structure of variola virus virulence factor F1L in complex with human Bak BH3 domain 2015-02-25 2015-03-25 Marshall, B.,Puthalakath, H.,Caria, S.,Chugh, S.,Doerflinger, M.,Colman, P.M.,Kvansakul, M. Variola Virus F1L is a Bcl-2-Like Protein that Unlike its Vaccinia Virus Counterpart Inhibits Apoptosis Independent of Bim. Cell Death Dis. 2015 6 0 0 4RI1 25781966 Crystal structure of Helicobacter pylori pseudaminic acid biosynthesis N -acetyltransferase PseH complex with acetyl-coA 2014-10-04 2015-04-01 Ud-Din, A.I.,Liu, Y.C.,Roujeinikova, A. Crystal Structure of Helicobacter pylori Pseudaminic Acid Biosynthesis N-Acetyltransferase PseH: Implications for Substrate Specificity and Catalysis. Plos One 2015 10 0 0 4WIJ 25765647 HUMAN SPLICING FACTOR, CONSTRUCT 1 2014-09-26 2015-04-01 Lee, M.,Sadowska, A.,Bekere, I.,Ho, D.,Gully, B.S.,Lu, Y.,Iyer, K.S.,Trewhella, J.,Fox, A.H.,Bond, C.S. The structure of human SFPQ reveals a coiled-coil mediated polymer essential for functional aggregation in gene regulation. Nucleic Acids Res. 2015 43 3826 3840 4WIK 25765647 HUMAN SPLICING FACTOR, CONSTRUCT 2 2014-09-26 2015-04-01 Lee, M.,Sadowska, A.,Bekere, I.,Ho, D.,Gully, B.S.,Lu, Y.,Iyer, K.S.,Trewhella, J.,Fox, A.H.,Bond, C.S. The structure of human SFPQ reveals a coiled-coil mediated polymer essential for functional aggregation in gene regulation. Nucleic Acids Res. 2015 43 3826 3840 4U7L 25765764 LRIG1 extracellular domain: Structure and Function Analysis 2014-07-31 2015-04-08 Xu, Y.,Soo, P.,Walker, F.,Zhang, H.H.,Redpath, N.,Tan, C.W.,Nicola, N.A.,Adams, T.E.,Garrett, T.P.,Zhang, J.G.,Burgess, A.W. LRIG1 Extracellular Domain: Structure and Function Analysis. J.Mol.Biol. 2015 427 1934 1948 4U7M 25765764 LRIG1 extracellular domain: Structure and Function Analysis 2014-07-31 2015-04-08 Xu, Y.,Soo, P.,Walker, F.,Zhang, H.H.,Redpath, N.,Tan, C.W.,Nicola, N.A.,Adams, T.E.,Garrett, T.P.,Zhang, J.G.,Burgess, A.W. LRIG1 Extracellular Domain: Structure and Function Analysis. J.Mol.Biol. 2015 427 1934 1948 4UJ0 25802281 Crystal structure of the tomato defensin TPP3 2015-04-07 2015-04-15 Baxter, A.A.,Richter, V.,Lay, F.T.,Poon, I.K.H.,Adda, C.G.,Veneer, P.K.,Phan, T.K.,Bleackley, M.R.,Anderson, M.A.,Kvansakul, M.,Hulett, M.D. The Tomato Defensin Tpp3 Binds Phosphatidylinositol (4,5)-Bisphosphate Via a Conserved Dimeric Cationic Grip Conformation to Mediate Cell Lysis. Mol.Cell.Biol. 2015 35 1964 0 4OZS 25664731 RNA binding protein 2014-02-19 2015-04-22 Gully, B.S.,Shah, K.R.,Lee, M.,Shearston, K.,Smith, N.M.,Sadowska, A.,Blythe, A.J.,Bernath-Levin, K.,Stanley, W.A.,Small, I.D.,Bond, C.S. The design and structural characterization of a synthetic pentatricopeptide repeat protein. Acta Crystallogr.,Sect.D 2015 71 196 208 4XXD 25880481 Crystal Structure of mid-region amyloid beta capture by solanezumab 2015-01-30 2015-04-29 Crespi, G.A.,Hermans, S.J.,Parker, M.W.,Miles, L.A. Molecular basis for mid-region amyloid-beta capture by leading Alzheimer's disease immunotherapies. Sci Rep 2015 5 9649 9649 4PBF 27618189 Phosphotriesterase variant Rev12 2014-04-12 2015-05-06 Campbell, E.,Kaltenbach, M.,Correy, G.J.,Carr, P.D.,Porebski, B.T.,Livingstone, E.K.,Afriat-Jurnou, L.,Buckle, A.M.,Weik, M.,Hollfelder, F.,Tokuriki, N.,Jackson, C.J. The role of protein dynamics in the evolution of new enzyme function. Nat. Chem. Biol. 2016 12 944 950 4PFM SHEWANELLA BENTHICA DHDPS WITH LYSINE AND PYRUVATE 2014-04-30 2015-05-06 Wubben, J.M.,Paxman, J.J.,Dogovski, C.,Panjikar, S.,Perugini, M.A. Defining a Molecular Determinant of Lysine-Mediated Allosteric Inhibition of DHDPS. To Be Published 0 0 0 0 4Y1D Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain 2015-02-07 2015-05-13 Northfield, S.E.,Wielens, J.,Headey, S.J.,Mulcair, M.,Scanlon, M.J.,Parker, M.W.,Thompson, P.E.,Chalmers, D.K. HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE To Be Published 0 0 0 0 4RHT 25915781 Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease 2014-10-03 2015-05-20 Eng, W.S.,Hockova, D.,Spacek, P.,Janeba, Z.,West, N.P.,Woods, K.,Naesens, L.M.,Keough, D.T.,Guddat, L.W. First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem. 2015 58 4822 4838 4RHU 25915781 Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease 2014-10-03 2015-05-20 Eng, W.S.,Hockova, D.,Spacek, P.,Janeba, Z.,West, N.P.,Woods, K.,Naesens, L.M.,Keough, D.T.,Guddat, L.W. First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem. 2015 58 4822 4838 4RHX 25915781 Structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease 2014-10-03 2015-05-20 Eng, W.S.,Hockova, D.,Spacek, P.,Janeba, Z.,West, N.P.,Woods, K.,Naesens, L.M.,Keough, D.T.,Guddat, L.W. First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem. 2015 58 4822 4838 4RHY 25915781 Crystal structures of Mycobacterium tuberculosis 6-oxopurine phosphoribosyltransferase which is a potential target for drug development against this disease 2014-10-03 2015-05-20 Eng, W.S.,Hockova, D.,Spacek, P.,Janeba, Z.,West, N.P.,Woods, K.,Naesens, L.M.,Keough, D.T.,Guddat, L.W. First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. J.Med.Chem. 2015 58 4822 4838 4Z19 26469877 Crystal structure of beta-ketoacyl-ACP synthase III (FabH) from Yersinia pestis with acetylated active site cysteine 2015-03-27 2015-05-20 Nanson, J.D.,Himiari, Z.,Swarbrick, C.M.,Forwood, J.K. Structural Characterisation of the Beta-Ketoacyl-Acyl Carrier Protein Synthases, FabF and FabH, of Yersinia pestis. Sci Rep 2015 5 14797 14797 4P62 Directed evolution of a B3 metallo-beta-lactamase AIM-1 2014-03-21 2015-05-27 Hou, C.-F.D.,Collyer, C.,Ollis, D.L. Directed evolution of a B3 metallo-beta-lactamase AIM-1 To Be Published 0 0 0 0 4ZRB 26538563 Crystal Structure of Hypothetical Thioesterase Protein SP_1851 with Coenzyme A from Streptococcus pneumoniae TIGR4 2015-05-12 2015-05-27 Khandokar, Y.B.,Srivastava, P.,Sarker, S.,Swarbrick, C.M.,Aragao, D.,Cowieson, N.,Forwood, J.K. Structural and Functional Characterization of the PaaI Thioesterase from Streptococcus pneumoniae Reveals a Dual Specificity for Phenylacetyl-CoA and Medium-chain Fatty Acyl-CoAs and a Novel CoA-induced Fit Mechanism. J.Biol.Chem. 2016 291 1866 1876 4ZRF Crystal Structure of Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4 2015-05-12 2015-05-27 Khandokar, Y.B.,Srivastava, P.,Forwood, J.K. Crystal Structure of Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4 To Be Published 0 0 0 0 4PW3 26687009 Crystal structure of the sulfite dehydrogenase SorT from Sinorhizobium meliloti 2014-03-18 2015-06-03 McGrath, A.P.,Laming, E.L.,Casas Garcia, G.P.,Kvansakul, M.,Guss, J.M.,Trewhella, J.,Calmes, B.,Bernhardt, P.V.,Hanson, G.R.,Kappler, U.,Maher, M.J. Structural basis of interprotein electron transfer in bacterial sulfite oxidation. Elife 2015 4 0 0 4PW9 26687009 Crystal structure of the electron-transfer complex formed between a sulfite dehydrogenase and a c-type cytochrome from Sinorhizobium meliloti 2014-03-19 2015-06-03 McGrath, A.P.,Laming, E.L.,Casas Garcia, G.P.,Kvansakul, M.,Guss, J.M.,Trewhella, J.,Calmes, B.,Bernhardt, P.V.,Hanson, G.R.,Kappler, U.,Maher, M.J. Structural basis of interprotein electron transfer in bacterial sulfite oxidation. Elife 2015 4 0 0 4PWA 26687009 Crystal structure of the c-type cytochrome SorU from Sinorhizobium meliloti 2014-03-19 2015-06-03 McGrath, A.P.,Laming, E.L.,Casas Garcia, G.P.,Kvansakul, M.,Guss, J.M.,Trewhella, J.,Calmes, B.,Bernhardt, P.V.,Hanson, G.R.,Kappler, U.,Maher, M.J. Structural basis of interprotein electron transfer in bacterial sulfite oxidation. Elife 2015 4 0 0 4WO1 25981043 Crystal structure of the DAP12 transmembrane domain in lipid cubic phase 2014-10-15 2015-06-03 Knoblich, K.,Park, S.,Lutfi, M.,van 't Hag, L.,Conn, C.E.,Seabrook, S.A.,Newman, J.,Czabotar, P.E.,Im, W.,Call, M.E.,Call, M.J. Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly. Cell Rep 2015 11 1184 1192 4WOL 25981043 Crystal Structure of the DAP12 transmembrane domain in lipidic cubic phase 2014-10-16 2015-06-03 Knoblich, K.,Park, S.,Lutfi, M.,van 't Hag, L.,Conn, C.E.,Seabrook, S.A.,Newman, J.,Czabotar, P.E.,Im, W.,Call, M.E.,Call, M.J. Transmembrane Complexes of DAP12 Crystallized in Lipid Membranes Provide Insights into Control of Oligomerization in Immunoreceptor Assembly. Cell Rep 2015 11 1184 1192 4Z7U 25948817 S13 complex 2015-04-08 2015-06-03 Petersen, J.,van Bergen, J.,Loh, K.L.,Kooy-Winkelaar, Y.,Beringer, D.X.,Thompson, A.,Bakker, S.F.,Mulder, C.J.,Ladell, K.,McLaren, J.E.,Price, D.A.,Rossjohn, J.,Reid, H.H.,Koning, F. Determinants of Gliadin-Specific T Cell Selection in Celiac Disease. J Immunol. 2015 194 6112 6122 4Z7V 25948817 L3-12 complex 2015-04-08 2015-06-03 Petersen, J.,van Bergen, J.,Loh, K.L.,Kooy-Winkelaar, Y.,Beringer, D.X.,Thompson, A.,Bakker, S.F.,Mulder, C.J.,Ladell, K.,McLaren, J.E.,Price, D.A.,Rossjohn, J.,Reid, H.H.,Koning, F. Determinants of Gliadin-Specific T Cell Selection in Celiac Disease. J Immunol. 2015 194 6112 6122 4Z7W 25948817 T316 complex 2015-04-08 2015-06-03 Petersen, J.,van Bergen, J.,Loh, K.L.,Kooy-Winkelaar, Y.,Beringer, D.X.,Thompson, A.,Bakker, S.F.,Mulder, C.J.,Ladell, K.,McLaren, J.E.,Price, D.A.,Rossjohn, J.,Reid, H.H.,Koning, F. Determinants of Gliadin-Specific T Cell Selection in Celiac Disease. J Immunol. 2015 194 6112 6122 4ZV3 Crystal structure of the N- and C-terminal domains of mouse acyl-CoA thioesterase 7 2015-05-18 2015-06-03 Swarbrick, C.M.D.,Forwood, J.K. Crystal structure of the N- and C-terminal domains of mouse acyl-CoA thioesterase 7 To Be Published 0 0 0 0 4XSS 26027733 Insulin-like growth factor I in complex with site 1 of a hybrid insulin receptor / Type 1 insulin-like growth factor receptor 2015-01-22 2015-06-10 Menting, J.G.,Lawrence, C.F.,Kong, G.K.,Margetts, M.B.,Ward, C.W.,Lawrence, M.C. Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors. Structure 2015 23 1271 1282 4XST 26027733 Structure of the endoglycosidase-H treated L1-CR domains of the human insulin receptor in complex with residues 697-719 of the human insulin receptor (A-isoform) 2015-01-22 2015-06-10 Menting, J.G.,Lawrence, C.F.,Kong, G.K.,Margetts, M.B.,Ward, C.W.,Lawrence, M.C. Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors. Structure 2015 23 1271 1282 4TLF 26272617 Crystal structure of Thiol dioxygenase from Pseudomonas aeruginosa 2014-05-29 2015-06-17 Tchesnokov, E.P.,Fellner, M.,Siakkou, E.,Kleffmann, T.,Martin, L.W.,Aloi, S.,Lamont, I.L.,Wilbanks, S.M.,Jameson, G.N. The Cysteine Dioxygenase Homologue from Pseudomonas aeruginosa Is a 3-Mercaptopropionate Dioxygenase. J.Biol.Chem. 2015 290 24424 24437 4WZ9 26075520 APN1 from Anopheles gambiae 2014-11-19 2015-06-17 Atkinson, S.C.,Armistead, J.S.,Mathias, D.K.,Sandeu, M.M.,Tao, D.,Borhani-Dizaji, N.,Tarimo, B.B.,Morlais, I.,Dinglasan, R.R.,Borg, N.A. The Anopheles-midgut APN1 structure reveals a new malaria transmission-blocking vaccine epitope. Nat.Struct.Mol.Biol. 2015 22 532 539 4YEF 25774984 beta1 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclododextrin 2015-02-24 2015-06-24 Mobbs, J.I.,Koay, A.,Di Paolo, A.,Bieri, M.,Petrie, E.J.,Gorman, M.A.,Doughty, L.,Parker, M.W.,Stapleton, D.I.,Griffin, M.D.,Gooley, P.R. Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase. Biochem.J. 2015 468 245 257 5BYU Crystal structure of unnamed thioesterase Ipg2867 from Legionella pneumophila 2015-06-11 2015-06-24 Swarbrick, C.M.D.,Forwood, J.K. Crystal structure of unnamed thioesterase Ipg2867 from Legionella pneumophila To Be Published 0 0 0 0 4YHA 26010545 Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with methazolamide 2015-02-27 2015-07-01 Modakh, J.K.,Liu, Y.C.,Machuca, M.A.,Supuran, C.T.,Roujeinikova, A. Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides. Plos One 2015 10 0 0 4YLZ 26077389 Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lacto-N-neotetraose (LNnT) 2015-03-06 2015-07-01 Bum-Erdene, K.,Leffler, H.,Nilsson, U.J.,Blanchard, H. Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens. Febs J. 2015 282 3348 3367 4YM1 26077389 Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with 2'-fucosyllactose 2015-03-06 2015-07-01 Bum-Erdene, K.,Leffler, H.,Nilsson, U.J.,Blanchard, H. Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens. Febs J. 2015 282 3348 3367 4YM2 26077389 Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lactose-3'-sulfate 2015-03-06 2015-07-01 Bum-Erdene, K.,Leffler, H.,Nilsson, U.J.,Blanchard, H. Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens. 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J.Biol.Chem. 2015 290 20827 20840 4D70 26143922 Structural, biophysical and biochemical analyses of a Clostridium perfringens Sortase D5 transpeptidase 2014-11-19 2015-07-15 Suryadinata, R.,Seabrook, S.A.,Adams, T.E.,Nuttall, S.D.,Peat, T.S. Structural and Biochemical Analyses of a Clostridium Perfringens Sortase D Transpeptidase Acta Crystallogr.,Sect.D 2015 71 1505 0 4P5I 26095031 Crystal structure of the chemokine binding protein from orf virus 2014-03-17 2015-07-15 Counago, R.M.,Knapp, K.M.,Nakatani, Y.,Fleming, S.B.,Corbett, M.,Wise, L.M.,Mercer, A.A.,Krause, K.L. Structures of Orf Virus Chemokine Binding Protein in Complex with Host Chemokines Reveal Clues to Broad Binding Specificity. Structure 2015 23 1199 1213 4ZL4 26214367 Plasmepsin V from Plasmodium vivax bound to a transition state mimetic (WEHI-842) 2015-05-01 2015-07-15 Hodder, A.N.,Sleebs, B.E.,Czabotar, P.E.,Gazdik, M.,Xu, Y.,O'Neill, M.T.,Lopaticki, S.,Nebl, T.,Triglia, T.,Smith, B.J.,Lowes, K.,Boddey, J.A.,Cowman, A.F. Structural basis for plasmepsin V inhibition that blocks export of malaria proteins to human erythrocytes. Nat.Struct.Mol.Biol. 2015 22 590 596 4RGV 26175150 Crystal structure of the Methanocaldococcus jannaschii G1PDH 2014-09-30 2015-07-22 Carbone, V.,Schofield, L.R.,Zhang, Y.,Sang, C.,Dey, D.,Hannus, I.M.,Martin, W.F.,Sutherland-Smith, A.J.,Ronimus, R.S. Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase. J.Biol.Chem. 2015 290 21690 21704 4ZIE 26158515 Crystal Structure of core/latch dimer of Bax in complex with BimBH3 2015-04-28 2015-07-22 Robin, A.Y.,Krishna Kumar, K.,Westphal, D.,Wardak, A.Z.,Thompson, G.V.,Dewson, G.,Colman, P.M.,Czabotar, P.E. Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis 2015 6 0 0 4ZIF 26158515 Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini 2015-04-28 2015-07-22 Robin, A.Y.,Krishna Kumar, K.,Westphal, D.,Wardak, A.Z.,Thompson, G.V.,Dewson, G.,Colman, P.M.,Czabotar, P.E. Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis 2015 6 0 0 4ZIG 26158515 Crystal Structure of core/latch dimer of Bax in complex with BidBH3mini 2015-04-28 2015-07-22 Robin, A.Y.,Krishna Kumar, K.,Westphal, D.,Wardak, A.Z.,Thompson, G.V.,Dewson, G.,Colman, P.M.,Czabotar, P.E. Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis 2015 6 0 0 4ZIH 26158515 Crystal Structure of core/latch dimer of Bax in complex with BimBH3mini 2015-04-28 2015-07-22 Robin, A.Y.,Krishna Kumar, K.,Westphal, D.,Wardak, A.Z.,Thompson, G.V.,Dewson, G.,Colman, P.M.,Czabotar, P.E. Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis 2015 6 0 0 4ZII 26158515 Crystal Structure of core/latch dimer of BaxI66A in complex with BidBH3 2015-04-28 2015-07-22 Robin, A.Y.,Krishna Kumar, K.,Westphal, D.,Wardak, A.Z.,Thompson, G.V.,Dewson, G.,Colman, P.M.,Czabotar, P.E. Crystal structure of Bax bound to the BH3 peptide of Bim identifies important contacts for interaction. Cell Death Dis 2015 6 0 0 4UF1 26249341 Deerpox virus DPV022 in complex with Bak BH3 2014-12-23 2015-08-05 Burton, D.R.,Caria, S.,Marshall, B.,Barry, M.,Kvansakul, M. 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IUCrJ 2016 3 10 19 4WWQ 26359549 Apo structure of the Grb7 SH2 domain 2014-11-12 2015-09-23 Watson, G.M.,Gunzburg, M.J.,Ambaye, N.D.,Lucas, W.A.,Traore, D.A.,Kulkarni, K.,Cergol, K.M.,Payne, R.J.,Panjikar, S.,Pero, S.C.,Perlmutter, P.,Wilce, M.C.,Wilce, J.A. Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target. J.Med.Chem. 2015 58 7707 7718 4X6S 26359549 Grb7 SH2 domain with phosphotyrosine mimetic inhibitor peptide 2014-12-09 2015-09-23 Watson, G.M.,Gunzburg, M.J.,Ambaye, N.D.,Lucas, W.A.,Traore, D.A.,Kulkarni, K.,Cergol, K.M.,Payne, R.J.,Panjikar, S.,Pero, S.C.,Perlmutter, P.,Wilce, M.C.,Wilce, J.A. Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target. J.Med.Chem. 2015 58 7707 7718 4Y19 26437244 immune complex 2015-02-07 2015-09-23 Beringer, D.X.,Kleijwegt, F.S.,Wiede, F.,van der Slik, A.R.,Loh, K.L.,Petersen, J.,Dudek, N.L.,Duinkerken, G.,Laban, S.,Joosten, A.,Vivian, J.P.,Chen, Z.,Uldrich, A.P.,Godfrey, D.I.,McCluskey, J.,Price, D.A.,Radford, K.J.,Purcell, A.W.,Nikolic, T.,Reid, H.H.,Tiganis, T.,Roep, B.O.,Rossjohn, J. T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex. Nat.Immunol. 2015 16 1153 1161 4Y1A 26437244 immune complex 2015-02-07 2015-09-23 Beringer, D.X.,Kleijwegt, F.S.,Wiede, F.,van der Slik, A.R.,Loh, K.L.,Petersen, J.,Dudek, N.L.,Duinkerken, G.,Laban, S.,Joosten, A.,Vivian, J.P.,Chen, Z.,Uldrich, A.P.,Godfrey, D.I.,McCluskey, J.,Price, D.A.,Radford, K.J.,Purcell, A.W.,Nikolic, T.,Reid, H.H.,Tiganis, T.,Roep, B.O.,Rossjohn, J. T cell receptor reversed polarity recognition of a self-antigen major histocompatibility complex. Nat.Immunol. 2015 16 1153 1161 4V00 29372906 Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus 2014-09-10 2015-09-30 Newman, J.,Sharp, J.A.,Enjapoori, A.K.,Bentley, J.,Nicholas, K.R.,Adams, T.E.,Peat, T.S. Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus. Acta Crystallogr F Struct Biol 2018 74 39 45 4WI2 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc (wild-type) 2014-09-25 2015-09-30 Burvenich, I.J.G.,Farrugia, W.,Lee, F.T.,Catimel, B.,Liu, Z.,Makris, D.,Cao, D.,O'Keefe, G.,Brechbiel, M.W.,King, D.,Spirkoska, V.,Allan, L.,Ramsland, P.A.,Scott, A.M. Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published 0 0 0 0 4WI3 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation I253A 2014-09-25 2015-09-30 Burvenich, I.J.G.,Farrugia, W.,Lee, F.T.,Catimel, B.,Liu, Z.,Makris, D.,Cao, D.,O'Keefe, G.,Brechbiel, M.W.,King, D.,Spirkoska, V.,Allan, L.,Ramsland, P.A.,Scott, A.M. Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published 0 0 0 0 4WI4 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation S254A 2014-09-25 2015-09-30 Burvenich, I.J.G.,Farrugia, W.,Lee, F.T.,Catimel, B.,Liu, Z.,Makris, D.,Cao, D.,O'Keefe, G.,Brechbiel, M.W.,King, D.,Spirkoska, V.,Allan, L.,Ramsland, P.A.,Scott, A.M. Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published 0 0 0 0 4WI5 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H310A 2014-09-25 2015-09-30 Burvenich, I.J.G.,Farrugia, W.,Lee, F.T.,Catimel, B.,Liu, Z.,Makris, D.,Cao, D.,O'Keefe, G.,Brechbiel, M.W.,King, D.,Spirkoska, V.,Allan, L.,Ramsland, P.A.,Scott, A.M. Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published 0 0 0 0 4WI6 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation N434A 2014-09-25 2015-09-30 Burvenich, I.J.G.,Farrugia, W.,Lee, F.T.,Catimel, B.,Liu, Z.,Makris, D.,Cao, D.,O'Keefe, G.,Brechbiel, M.W.,King, D.,Spirkoska, V.,Allan, L.,Ramsland, P.A.,Scott, A.M. Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published 0 0 0 0 4WI7 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation H435A 2014-09-25 2015-09-30 Burvenich, I.J.G.,Farrugia, W.,Lee, F.T.,Catimel, B.,Liu, Z.,Makris, D.,Cao, D.,O'Keefe, G.,Brechbiel, M.W.,King, D.,Spirkoska, V.,Allan, L.,Ramsland, P.A.,Scott, A.M. Structural and functional mapping of human IgG1 binding site for FcRn in vivo using human FcRn transgenic mice To Be Published 0 0 0 0 4WI8 Structural mapping of the human IgG1 binding site for FcRn: hu3S193 Fc mutation Y436A 2014-09-25 2015-09-30 Burvenich, I.J.G.,Farrugia, W.,Lee, F.T.,Catimel, B.,Liu, Z.,Makris, D.,Cao, D.,O'Keefe, G.,Brechbiel, M.W.,King, D.,Spirkoska, V.,Allan, L.,Ramsland, P.A.,Scott, A.M. 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Protein Sci. 2015 24 2033 2043 4XSC 26630264 Complex structure of thymidylate synthase from varicella zoster virus with a phosphorylated BVDU 2015-01-22 2015-12-16 Hew, K.,Dahlroth, S.L.,Veerappan, S.,Pan, L.X.,Cornvik, T.,Nordlund, P. Structure of the Varicella Zoster Virus Thymidylate Synthase Establishes Functional and Structural Similarities as the Human Enzyme and Potentiates Itself as a Target of Brivudine. Plos One 2015 10 0 0 4XSD 26630264 Complex structure of thymidylate synthase from varicella zoster virus with a dUMP 2015-01-22 2015-12-16 Hew, K.,Dahlroth, S.L.,Veerappan, S.,Pan, L.X.,Cornvik, T.,Nordlund, P. Structure of the Varicella Zoster Virus Thymidylate Synthase Establishes Functional and Structural Similarities as the Human Enzyme and Potentiates Itself as a Target of Brivudine. 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Retrofitting antibodies with stabilizing mutations To Be Published 0 0 0 0 4X4Z Retrofitting antibodies with stabilizing mutations. Herceptin VL mutant F53D. 2014-12-04 2015-12-23 Langley, D.B.,Rouet, R.,Christ, D. Retrofitting antibodies with stabilizing mutations To Be Published 0 0 0 0 5EH4 26642914 Crystal Structure of the Glycophorin A Transmembrane Dimer in Lipidic Cubic Phase 2015-10-28 2015-12-23 Trenker, R.,Call, M.E.,Call, M.J. Crystal Structure of the Glycophorin A Transmembrane Dimer in Lipidic Cubic Phase. J.Am.Chem.Soc. 2015 137 15676 15679 5EH6 26642914 Crystal Structure of the Glycophorin A Transmembrane Monomer in Lipidic Cubic Phase 2015-10-28 2015-12-23 Trenker, R.,Call, M.E.,Call, M.J. Crystal Structure of the Glycophorin A Transmembrane Dimer in Lipidic Cubic Phase. 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Mus musculus A20 OTU domain To Be Published 0 0 0 0 5DWU 26651396 Beta common receptor in complex with a Fab 2015-09-23 2015-12-30 Panousis, C.,Dhagat, U.,Edwards, K.M.,Rayzman, V.,Hardy, M.P.,Braley, H.,Gauvreau, G.M.,Hercus, T.R.,Smith, S.,Sehmi, R.,McMillan, L.,Dottore, M.,McClure, B.J.,Fabri, L.J.,Vairo, G.,Lopez, A.F.,Parker, M.W.,Nash, A.D.,Wilson, N.J.,Wilson, M.J.,Owczarek, C.M. CSL311, a novel, potent, therapeutic monoclonal antibody for the treatment of diseases mediated by the common beta chain of the IL-3, GM-CSF and IL-5 receptors. Mabs 2016 8 436 453 3X36 Crystal structure of the human vitamin D receptor ligand binding domain complexed with 7,8-cis-1a,25-Dihydroxy-19-norvitamin D3 2015-01-16 2016-01-20 Sawada, D.,Saito, H.,Kakuda, S.,Takimoto-Kamimura, M.,Matsumoto, Y.,Takagi, K.,Ochiai, E.,Kittaka, A. Revisiting the 7,8-cis-vitamin D3 derivatives: synthesis, evaluating the biological activity, and study of the binding configuration To be Published 0 0 0 0 4V3J 29372906 Structural and functional characterization of a novel monotreme- specific protein from the milk of the platypus 2014-10-20 2016-01-20 Newman, J.,Sharp, J.A.,Enjapoori, A.K.,Bentley, J.,Nicholas, K.R.,Adams, T.E.,Peat, T.S. Structural characterization of a novel monotreme-specific protein with antimicrobial activity from the milk of the platypus. Acta Crystallogr F Struct Biol 2018 74 39 45 5EBE 26783088 Structure of human sphingomyelinase phosphodiesterase like 3A (SMPDL3A) with 5' CMP 2015-10-19 2016-01-20 Lim, S.M.,Yeung, K.,Tresaugues, L.,Ling, T.H.,Nordlund, P. The structure and catalytic mechanism of human sphingomyelin phosphodiesterase like 3a - an acid sphingomyelinase homologue with a novel nucleotide hydrolase activity. Febs J. 2016 283 1107 1123 5D5M 26795251 Structure of human MR1-5-OP-RU in complex with human MAIT M33.64 TCR 2015-08-11 2016-01-27 Gherardin, N.A.,Keller, A.N.,Woolley, R.E.,Le Nours, J.,Ritchie, D.S.,Neeson, P.J.,Birkinshaw, R.W.,Eckle, S.B.,Waddington, J.N.,Liu, L.,Fairlie, D.P.,Uldrich, A.P.,Pellicci, D.G.,McCluskey, J.,Godfrey, D.I.,Rossjohn, J. Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition. Immunity 2016 44 32 45 5D7I 26795251 Structure of human MR1-Ac-6-FP in complex with human MAIT M33.64 TCR 2015-08-14 2016-01-27 Gherardin, N.A.,Keller, A.N.,Woolley, R.E.,Le Nours, J.,Ritchie, D.S.,Neeson, P.J.,Birkinshaw, R.W.,Eckle, S.B.,Waddington, J.N.,Liu, L.,Fairlie, D.P.,Uldrich, A.P.,Pellicci, D.G.,McCluskey, J.,Godfrey, D.I.,Rossjohn, J. Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition. Immunity 2016 44 32 45 5D7J 26795251 Structure of human MR1-5-OP-RU in complex with human MAIT M33.64(Y95alphaF) TCR 2015-08-14 2016-01-27 Gherardin, N.A.,Keller, A.N.,Woolley, R.E.,Le Nours, J.,Ritchie, D.S.,Neeson, P.J.,Birkinshaw, R.W.,Eckle, S.B.,Waddington, J.N.,Liu, L.,Fairlie, D.P.,Uldrich, A.P.,Pellicci, D.G.,McCluskey, J.,Godfrey, D.I.,Rossjohn, J. Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition. Immunity 2016 44 32 45 5D7K 26795251 Structure of MR1-reactive MAV36 TCR 2015-08-14 2016-01-27 Gherardin, N.A.,Keller, A.N.,Woolley, R.E.,Le Nours, J.,Ritchie, D.S.,Neeson, P.J.,Birkinshaw, R.W.,Eckle, S.B.,Waddington, J.N.,Liu, L.,Fairlie, D.P.,Uldrich, A.P.,Pellicci, D.G.,McCluskey, J.,Godfrey, D.I.,Rossjohn, J. Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition. Immunity 2016 44 32 45 5D7L 26795251 Structure of human MR1-5-OP-RU in complex with human MAV36 TCR 2015-08-14 2016-01-27 Gherardin, N.A.,Keller, A.N.,Woolley, R.E.,Le Nours, J.,Ritchie, D.S.,Neeson, P.J.,Birkinshaw, R.W.,Eckle, S.B.,Waddington, J.N.,Liu, L.,Fairlie, D.P.,Uldrich, A.P.,Pellicci, D.G.,McCluskey, J.,Godfrey, D.I.,Rossjohn, J. Diversity of T Cells Restricted by the MHC Class I-Related Molecule MR1 Facilitates Differential Antigen Recognition. Immunity 2016 44 32 45 4WW2 26875526 Crystal structure of human TCR Alpha Chain-TRAV21-TRAJ8, Beta Chain-TRBV7-8, Antigen-presenting glycoprotein CD1d, and Beta-2-microglobulin 2014-11-10 2016-02-03 Le Nours, J.,Praveena, T.,Pellicci, D.G.,Gherardin, N.A.,Ross, F.J.,Lim, R.T.,Besra, G.S.,Keshipeddy, S.,Richardson, S.K.,Howell, A.R.,Gras, S.,Godfrey, D.I.,Rossjohn, J.,Uldrich, A.P. Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens. Nat Commun 2016 7 10570 10570 4WWK 26875526 Crystal structure of human TCR Alpha Chain-TRAV12-3, Beta Chain-TRBV6-5, Antigen-presenting molecule CD1d, and Beta-2-microglobulin 2014-11-11 2016-02-03 Le Nours, J.,Praveena, T.,Pellicci, D.G.,Gherardin, N.A.,Ross, F.J.,Lim, R.T.,Besra, G.S.,Keshipeddy, S.,Richardson, S.K.,Howell, A.R.,Gras, S.,Godfrey, D.I.,Rossjohn, J.,Uldrich, A.P. Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens. Nat Commun 2016 7 10570 10570 4ZV2 26853627 An ancestral arginine-binding protein bound to glutamine 2015-05-18 2016-02-03 Clifton, B.E.,Jackson, C.J. Ancestral Protein Reconstruction Yields Insights into Adaptive Evolution of Binding Specificity in Solute-Binding Proteins. Cell Chem Biol 2016 23 236 245 5EO2 Structural and biochemical characterization of the hypothetical protein SAV2348 from Staphylococcus aureus in complex with CoA. 2015-11-10 2016-02-03 Khandokar, Y.B.,Srivastava, P.,Forwood, J.K. Structural and biochemical characterization of the hypothetical protein SAV2348 from Staphylococcus aureus in complex with CoA To Be Published 0 0 0 0 4XCD 26853941 Crystal structure of an octadecameric TF55 complex from S. solfataricus 2014-12-17 2016-02-10 Chaston, J.J.,Smits, C.,Aragao, D.,Wong, A.S.,Ahsan, B.,Sandin, S.,Molugu, S.K.,Molugu, S.K.,Bernal, R.A.,Stock, D.,Stewart, A.G. Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins. Structure 2016 24 364 374 4XCG 26853941 Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form I 2014-12-18 2016-02-10 Chaston, J.J.,Smits, C.,Aragao, D.,Wong, A.S.,Ahsan, B.,Sandin, S.,Molugu, S.K.,Molugu, S.K.,Bernal, R.A.,Stock, D.,Stewart, A.G. Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins. Structure 2016 24 364 374 4XCI 26853941 Crystal structure of a hexadecameric TF55 complex from S. solfataricus, crystal form II 2014-12-18 2016-02-10 Chaston, J.J.,Smits, C.,Aragao, D.,Wong, A.S.,Ahsan, B.,Sandin, S.,Molugu, S.K.,Molugu, S.K.,Bernal, R.A.,Stock, D.,Stewart, A.G. Structural and Functional Insights into the Evolution and Stress Adaptation of Type II Chaperonins. Structure 2016 24 364 374 5EAB 27907120 Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-tebuconazole 2015-10-16 2016-02-10 Tyndall, J.D.,Sabherwal, M.,Sagatova, A.A.,Keniya, M.V.,Negroni, J.,Wilson, R.K.,Woods, M.A.,Tietjen, K.,Monk, B.C. Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE 2016 11 0 0 5EAC 27907120 Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-tebuconazole 2015-10-16 2016-02-10 Tyndall, J.D.,Sabherwal, M.,Sagatova, A.A.,Keniya, M.V.,Negroni, J.,Wilson, R.K.,Woods, M.A.,Tietjen, K.,Monk, B.C. Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE 2016 11 0 0 5EAD 27907120 Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-desthio-prothioconazole 2015-10-16 2016-02-10 Tyndall, J.D.,Sabherwal, M.,Sagatova, A.A.,Keniya, M.V.,Negroni, J.,Wilson, R.K.,Woods, M.A.,Tietjen, K.,Monk, B.C. Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE 2016 11 0 0 5EAE 27907120 Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor R-desthio-prothioconazole 2015-10-16 2016-02-10 Tyndall, J.D.,Sabherwal, M.,Sagatova, A.A.,Keniya, M.V.,Negroni, J.,Wilson, R.K.,Woods, M.A.,Tietjen, K.,Monk, B.C. Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE 2016 11 0 0 5EAF 27907120 Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Fluquinconazole 2015-10-16 2016-02-10 Tyndall, J.D.,Sabherwal, M.,Sagatova, A.A.,Keniya, M.V.,Negroni, J.,Wilson, R.K.,Woods, M.A.,Tietjen, K.,Monk, B.C. Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE 2016 11 0 0 5EAG 27907120 Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Prochloraz 2015-10-16 2016-02-10 Tyndall, J.D.,Sabherwal, M.,Sagatova, A.A.,Keniya, M.V.,Negroni, J.,Wilson, R.K.,Woods, M.A.,Tietjen, K.,Monk, B.C. Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE 2016 11 0 0 5EAH 27907120 Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Difenoconazole 2015-10-16 2016-02-10 Tyndall, J.D.,Sabherwal, M.,Sagatova, A.A.,Keniya, M.V.,Negroni, J.,Wilson, R.K.,Woods, M.A.,Tietjen, K.,Monk, B.C. Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE 2016 11 0 0 5HWF The structural and biochemical characterization of acyl-coa hydrolase mutant Asn28Ala from Staphylococcus aureus. 2016-01-29 2016-02-10 Khandokar, Y.B.,Srivastava, P.S.,Forwood, J.K. The structural and biochemical characterization of acyl-coa hydrolase from Staphylococcus aureus To Be Published 0 0 0 0 4XOO 26861878 FMN complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain) 2015-01-16 2016-02-17 Bashiri, G.,Rehan, A.M.,Sreebhavan, S.,Baker, H.M.,Baker, E.N.,Squire, C.J. Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis. J.Biol.Chem. 2016 291 6882 6894 4XOQ 26861878 F420 complex of coenzyme F420:L-glutamate ligase (FbiB) from Mycobacterium tuberculosis (C-terminal domain) 2015-01-16 2016-02-17 Bashiri, G.,Rehan, A.M.,Sreebhavan, S.,Baker, H.M.,Baker, E.N.,Squire, C.J. Elongation of the Poly-gamma-glutamate Tail of F420 Requires Both Domains of the F420: gamma-Glutamyl Ligase (FbiB) of Mycobacterium tuberculosis. J.Biol.Chem. 2016 291 6882 6894 5CW8 26858250 Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-4-cholesten-26-oyl-CoA 2015-07-27 2016-02-17 Ho, N.A.,Dawes, S.S.,Crowe, A.M.,Casabon, I.,Gao, C.,Kendall, S.L.,Baker, E.N.,Eltis, L.D.,Lott, J.S. The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis. J.Biol.Chem. 2016 291 7256 7266 5CXG 26858250 Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG 2015-07-28 2016-02-17 Ho, N.A.,Dawes, S.S.,Crowe, A.M.,Casabon, I.,Gao, C.,Kendall, S.L.,Baker, E.N.,Eltis, L.D.,Lott, J.S. The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis. J.Biol.Chem. 2016 291 7256 7266 5CXI 26858250 Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (4-BNC-CoA) 2015-07-29 2016-02-17 Ho, N.A.,Dawes, S.S.,Crowe, A.M.,Casabon, I.,Gao, C.,Kendall, S.L.,Baker, E.N.,Eltis, L.D.,Lott, J.S. The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis. J.Biol.Chem. 2016 291 7256 7266 5DUU 26828567 Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol 2015-09-21 2016-02-17 Bum-Erdene, K.,Leffler, H.,Nilsson, U.J.,Blanchard, H. Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3'-sulfo-lactose, and 2'-fucosyllactose. Sci Rep 2016 6 20289 20289 5DUW 26828567 Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with lactose-3'-sulfate 2015-09-21 2016-02-17 Bum-Erdene, K.,Leffler, H.,Nilsson, U.J.,Blanchard, H. Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3'-sulfo-lactose, and 2'-fucosyllactose. Sci Rep 2016 6 20289 20289 5DUX 26828567 Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with 2'-fucosyllactose 2015-09-21 2016-02-17 Bum-Erdene, K.,Leffler, H.,Nilsson, U.J.,Blanchard, H. Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3'-sulfo-lactose, and 2'-fucosyllactose. Sci Rep 2016 6 20289 20289 4WVZ 26878277 Crystal structure of artificial crosslinked thiol dioxygenase G95C variant from Pseudomonas aeruginosa 2014-11-09 2016-02-24 Fellner, M.,Aloi, S.,Tchesnokov, E.P.,Wilbanks, S.M.,Jameson, G.N. Substrate and pH-Dependent Kinetic Profile of 3-Mercaptopropionate Dioxygenase from Pseudomonas aeruginosa. Biochemistry 2016 55 1362 1371 4Z8J Crystal structure of the SNX27 PDZ domain bound to the C-terminal PTHR PDZ binding motif 2015-04-09 2016-02-24 Clairfeuille, T.,Teasdale, R.D.,Collins, B.M.,Pavlos, N. Role of SNX27-retromer in PTHR trafficking To Be Published 0 0 0 0 5EO0 26983786 Crystal Structure of HLA-B0702-RFL9 2015-11-10 2016-02-24 Du, V.Y.,Bansal, A.,Carlson, J.,Salazar-Gonzalez, J.F.,Salazar, M.G.,Ladell, K.,Gras, S.,Josephs, T.M.,Heath, S.L.,Price, D.A.,Rossjohn, J.,Hunter, E.,Goepfert, P.A. HIV-1-Specific CD8 T Cells Exhibit Limited Cross-Reactivity during Acute Infection. J Immunol. 2016 196 3276 3286 5EO1 26983786 Crystal Structure of HLA-B0702-RL9 2015-11-10 2016-02-24 Du, V.Y.,Bansal, A.,Carlson, J.,Salazar-Gonzalez, J.F.,Salazar, M.G.,Ladell, K.,Gras, S.,Josephs, T.M.,Heath, S.L.,Price, D.A.,Rossjohn, J.,Hunter, E.,Goepfert, P.A. HIV-1-Specific CD8 T Cells Exhibit Limited Cross-Reactivity during Acute Infection. J Immunol. 2016 196 3276 3286 5FNG 26882437 Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 2015-11-15 2016-03-02 Woods, L.,Dolezal, O.,Ren, B.,Ryan, J.H.,Peat, T.S.,Poulsen, S. Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem. 2016 59 2192 0 4XG1 Psychromonas ingrahamii diaminopimelate decarboxylase with LLP 2014-12-30 2016-03-09 Peverelli, M.G.,Newman, J.,Panjikar, S.,Perugini, M.A. Expression to crystallization of diaminopimelate decarboxylase from the psychrophile Psychromonas ingrahamii To Be Published 0 0 0 0 4YB5 27191057 Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni in complex with the allosteric inhibitor histidine 2015-02-18 2016-03-09 Mittelstadt, G.,Moggre, G.J.,Panjikar, S.,Nazmi, A.R.,Parker, E.J. Campylobacter jejuni adenosine triphosphate phosphoribosyltransferase is an active hexamer that is allosterically controlled by the twisting of a regulatory tail. Protein Sci. 2016 25 1492 1506 4ZGH 26403197 Structure of Sugar Binding Protein Pneumolysin 2015-04-23 2016-03-09 Lawrence, S.L.,Feil, S.C.,Morton, C.J.,Farrand, A.J.,Mulhern, T.D.,Gorman, M.A.,Wade, K.R.,Tweten, R.K.,Parker, M.W. Crystal structure of Streptococcus pneumoniae pneumolysin provides key insights into early steps of pore formation. Sci Rep 2015 5 14352 14352 4ZHX 26952388 Novel binding site for allosteric activation of AMPK 2015-04-27 2016-03-09 Langendorf, C.G.,Ngoei, K.R.,Scott, J.W.,Ling, N.X.,Issa, S.M.,Gorman, M.A.,Parker, M.W.,Sakamoto, K.,Oakhill, J.S.,Kemp, B.E. Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding. Nat Commun 2016 7 10912 10912 5EHV 26882437 human carbonic anhydrase II in complex with ligand 2015-10-29 2016-03-09 Woods, L.A.,Dolezal, O.,Ren, B.,Ryan, J.H.,Peat, T.S.,Poulsen, S.A. Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem. 2016 59 2192 2204 5EHW 26882437 human carbonic anhydrase II in complex with ligand 2015-10-29 2016-03-09 Woods, L.A.,Dolezal, O.,Ren, B.,Ryan, J.H.,Peat, T.S.,Poulsen, S.A. Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem. 2016 59 2192 2204 5EK5 26980835 STRUCTURAL CHARACTERIZATION OF IRMA FROM ESCHERICHIA COLI 2015-11-03 2016-03-09 Moriel, D.G.,Heras, B.,Paxman, J.J.,Lo, A.W.,Tan, L.,Sullivan, M.J.,Dando, S.J.,Beatson, S.A.,Ulett, G.C.,Schembri, M.A. Molecular and Structural Characterization of a Novel Escherichia coli Interleukin Receptor Mimic Protein. Mbio 2016 7 0 0 5EZV 26952388 X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid) 2015-11-26 2016-03-09 Langendorf, C.G.,Ngoei, K.R.,Scott, J.W.,Ling, N.X.,Issa, S.M.,Gorman, M.A.,Parker, M.W.,Sakamoto, K.,Oakhill, J.S.,Kemp, B.E. Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding. Nat Commun 2016 7 10912 10912 4ZM5 26378781 Shigella flexneri lipopolysaccharide O-antigen chain-length regulator WzzBSF - A107P mutant 2015-05-02 2016-03-23 Chang, C.W.,Tran, E.N.,Ericsson, D.J.,Casey, L.W.,Lonhienne, T.,Benning, F.,Morona, R.,Kobe, B. Structural and Biochemical Analysis of a Single Amino-Acid Mutant of WzzBSF That Alters Lipopolysaccharide O-Antigen Chain Length in Shigella flexneri. Plos One 2015 10 0 0 5HHM 27036003 Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-F5L 2016-01-11 2016-03-23 Valkenburg, S.A.,Josephs, T.M.,Clemens, E.B.,Grant, E.J.,Nguyen, T.H.,Wang, G.C.,Price, D.A.,Miller, A.,Tong, S.Y.,Thomas, P.G.,Doherty, P.C.,Rossjohn, J.,Gras, S.,Kedzierska, K. Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses. Proc.Natl.Acad.Sci.USA 2016 113 4440 4445 5HHN 27036003 Crystal Structure of HLA-A*0201 in complex with M1-F5L 2016-01-11 2016-03-23 Valkenburg, S.A.,Josephs, T.M.,Clemens, E.B.,Grant, E.J.,Nguyen, T.H.,Wang, G.C.,Price, D.A.,Miller, A.,Tong, S.Y.,Thomas, P.G.,Doherty, P.C.,Rossjohn, J.,Gras, S.,Kedzierska, K. Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses. Proc.Natl.Acad.Sci.USA 2016 113 4440 4445 5HHP 27036003 Crystal Structure of HLA-A*0201 in complex with M1-G4E 2016-01-11 2016-03-23 Valkenburg, S.A.,Josephs, T.M.,Clemens, E.B.,Grant, E.J.,Nguyen, T.H.,Wang, G.C.,Price, D.A.,Miller, A.,Tong, S.Y.,Thomas, P.G.,Doherty, P.C.,Rossjohn, J.,Gras, S.,Kedzierska, K. Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses. 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Structure 2016 24 1167 1177 5ESU 27291649 Crystal Structure of M. tuberculosis MenD bound to Mg2+ and Covalent Intermediate II (a ThDP + de-carboxylated 2-oxoglutarate + Isochorismate adduct) 2015-11-17 2016-06-22 Jirgis, E.N.,Bashiri, G.,Bulloch, E.M.,Johnston, J.M.,Baker, E.N. Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms. Structure 2016 24 1167 1177 5D90 27307602 Crystal structure of HiNmlR, a MerR family regulator lacking the sensor domain, bound to promoter DNA 2015-08-18 2016-06-29 Counago, R.M.,Chen, N.H.,Chang, C.W.,Djoko, K.Y.,McEwan, A.G.,Kobe, B. Structural basis of thiol-based regulation of formaldehyde detoxification in H. influenzae by a MerR regulator with no sensor region. 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Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator. Acs Chem.Biol. 2016 11 2357 2365 5KBG 27362503 CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH OCRESOL 2016-06-03 2016-07-13 Ray, S.,Gunzburg, M.J.,Wilce, M.,Panjikar, S.,Anand, R. Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator. Acs Chem.Biol. 2016 11 2357 2365 5KBH 27362503 CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH 3-CHLORO-PHENOL 2016-06-03 2016-07-13 Ray, S.,Gunzburg, M.J.,Wilce, M.,Panjikar, S.,Anand, R. Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator. Acs Chem.Biol. 2016 11 2357 2365 5KBI 27362503 CRYSTAL STRUCTURE OF THE AROMATIC SENSOR DOMAIN OF MOPR IN COMPLEX WITH CATACHOL 2016-06-03 2016-07-13 Ray, S.,Gunzburg, M.J.,Wilce, M.,Panjikar, S.,Anand, R. Structural Basis of Selective Aromatic Pollutant Sensing by the Effector Binding Domain of MopR, an NtrC Family Transcriptional Regulator. Acs Chem.Biol. 2016 11 2357 2365 5CDX 27667094 Crystal structure of conserpin 2015-07-06 2016-07-20 Porebski, B.T.,Keleher, S.,Hollins, J.J.,Nickson, A.A.,Marijanovic, E.M.,Borg, N.A.,Costa, M.G.,Pearce, M.A.,Dai, W.,Zhu, L.,Irving, J.A.,Hoke, D.E.,Kass, I.,Whisstock, J.C.,Bottomley, S.P.,Webb, G.I.,McGowan, S.,Buckle, A.M. Smoothing a rugged protein folding landscape by sequence-based redesign. 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Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Glu176Gln variant at 1.87 Angstroms resolution To Be Published 0 0 0 0 5D03 Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Val223Ala variant 2015-08-02 2016-08-10 Heyes, L.C.,Parker, E.J. Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Val223Ala variant at 1.84 Angstroms resolution To Be Published 0 0 0 0 5D04 Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Val223Ala variant regulated 2015-08-02 2016-08-10 Heyes, L.C.,Parker, E.J. Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Val223Ala variant regulated at 1.70 Angstroms resolution To Be Published 0 0 0 0 5D05 Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Lys107Ala variant regulated 2015-08-02 2016-08-10 Heyes, L.C.,Parker, E.J. Neisseria meningitidis 3 deoxy-D-arabino-heptulosonate 7-phosphate synthase Lys107Ala variant regulated at 1.75 Angstroms resolution To Be Published 0 0 0 0 5J7C 27578887 A picomolar affinity FN3 domain in complex with hen egg-white lysozyme 2016-04-06 2016-08-17 Porebski, B.T.,Conroy, P.J.,Drinkwater, N.,Schofield, P.,Vazquez-Lombardi, R.,Hunter, M.R.,Hoke, D.E.,Christ, D.,McGowan, S.,Buckle, A.M. Circumventing the stability-function trade-off in an engineered FN3 domain. Protein Eng.Des.Sel. 2016 0 0 0 5J7K 27578887 Loop grafting onto a highly stable FN3 scaffold 2016-04-06 2016-08-17 Porebski, B.T.,Conroy, P.J.,Drinkwater, N.,Schofield, P.,Vazquez-Lombardi, R.,Hunter, M.R.,Hoke, D.E.,Christ, D.,McGowan, S.,Buckle, A.M. Circumventing the stability-function trade-off in an engineered FN3 domain. 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Structural Basis for Receptor Recognition by the Human CD59-Responsive Cholesterol-Dependent Cytolysins. Structure 2016 24 1488 1498 5IMW 27499440 Trapped Toxin 2016-03-07 2016-08-24 Lawrence, S.L.,Gorman, M.A.,Feil, S.C.,Mulhern, T.D.,Kuiper, M.J.,Ratner, A.J.,Tweten, R.K.,Morton, C.J.,Parker, M.W. Structural Basis for Receptor Recognition by the Human CD59-Responsive Cholesterol-Dependent Cytolysins. Structure 2016 24 1488 1498 5IMY 27499440 Trapped Toxin 2016-03-07 2016-08-24 Lawrence, S.L.,Gorman, M.A.,Feil, S.C.,Mulhern, T.D.,Kuiper, M.J.,Ratner, A.J.,Tweten, R.K.,Morton, C.J.,Parker, M.W. Structural Basis for Receptor Recognition by the Human CD59-Responsive Cholesterol-Dependent Cytolysins. Structure 2016 24 1488 1498 5JZJ 27545623 Crystal structure of DCLK1-KD in complex with AMPPN 2016-05-17 2016-08-24 Patel, O.,Dai, W.,Mentzel, M.,Griffin, M.D.,Serindoux, J.,Gay, Y.,Fischer, S.,Sterle, S.,Kropp, A.,Burns, C.J.,Ernst, M.,Buchert, M.,Lucet, I.S. 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Sci Rep 2016 6 33357 33357 5EH9 27444875 Indirect contributions of mutations underlie optimization of new enzyme function 2015-10-28 2016-09-07 Yang, G.,Hong, N.,Baier, F.,Jackson, C.J.,Tokuriki, N. Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects. Biochemistry 2016 55 4583 4593 5EHT 27444875 Indirect contributions of mutations underlie optimization of new enzyme function 2015-10-28 2016-09-07 Yang, G.,Hong, N.,Baier, F.,Jackson, C.J.,Tokuriki, N. Conformational Tinkering Drives Evolution of a Promiscuous Activity through Indirect Mutational Effects. Biochemistry 2016 55 4583 4593 5ELQ 27595347 Crystal structure of the SNX27 PDZ domain bound to the C-terminal DGKzeta PDZ binding motif 2015-11-05 2016-09-07 Clairfeuille, T.,Mas, C.,Chan, A.S.,Yang, Z.,Tello-Lafoz, M.,Chandra, M.,Widagdo, J.,Kerr, M.C.,Paul, B.,Merida, I.,Teasdale, R.D.,Pavlos, N.J.,Anggono, V.,Collins, B.M. 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To Be Published 0 0 0 0 5T02 28972175 Structural characterisation of mutant Asp39Ala of thioesterase (NmACH) from Neisseria meningitidis 2016-08-15 2016-09-07 Khandokar, Y.B.,Srivastava, P.,Cowieson, N.,Sarker, S.,Aragao, D.,Das, S.,Smith, K.M.,Raidal, S.R.,Forwood, J.K. Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase. J. Biol. Chem. 2017 292 20461 20471 5EUJ 27599861 PYRUVATE DECARBOXYLASE FROM ZYMOBACTER PALMAE 2015-11-18 2016-09-14 Buddrus, L.,Andrews, E.S.,Leak, D.J.,Danson, M.J.,Arcus, V.L.,Crennell, S.J. Crystal structure of pyruvate decarboxylase from Zymobacter palmae. Acta Crystallogr.,Sect.F 2016 72 700 706 5SZU 28972175 Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases 2016-08-15 2016-09-14 Khandokar, Y.B.,Srivastava, P.,Cowieson, N.,Sarker, S.,Aragao, D.,Das, S.,Smith, K.M.,Raidal, S.R.,Forwood, J.K. Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase. J. Biol. 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PLoS ONE 2017 12 0 0 5DIO Crystal structure of unnamed thioesterase lpg2867 from Legionella pneumophila, the D21A mutant 2015-09-01 2016-10-05 Swarbrick, C.M.D.,Forwood, J.K. Crystal structure of unnamed thioesterase lpg2867 from Legionella pneumophila, the D21A mutant To Be Published 0 0 0 0 5KK4 27647905 Crystal Structure of the Plant Defensin NsD7 bound to Phosphatidic Acid 2016-06-21 2016-10-05 Kvansakul, M.,Lay, F.T.,Adda, C.G.,Veneer, P.K.,Baxter, A.A.,Phan, T.K.,Poon, I.K.,Hulett, M.D. Binding of phosphatidic acid by NsD7 mediates the formation of helical defensin-lipid oligomeric assemblies and membrane permeabilization. Proc.Natl.Acad.Sci.USA 2016 113 11202 11207 5SWZ 27717799 Crystal Structure of NP1-B17 TCR-H2Db-NP complex 2016-08-09 2016-10-05 Gras, S.,Chadderton, J.,Del Campo, C.M.,Farenc, C.,Wiede, F.,Josephs, T.M.,Sng, X.Y.,Mirams, M.,Watson, K.A.,Tiganis, T.,Quinn, K.M.,Rossjohn, J.,La Gruta, N.L. 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Biochemistry 2016 55 6304 6313 5SXO 1.35 angstrom resolution crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Listeria monocytogenes 2016-08-09 2016-11-02 Soares da Costa, T.P.,Nanson, J.D.,Forwood, J.K. 1.35 angstrom resolution crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Listeria monocytogenes To Be Published 0 0 0 0 5T1Y 27791121 MLA10 coiled-coil fragment 2016-08-22 2016-11-02 Casey, L.W.,Lavrencic, P.,Bentham, A.R.,Cesari, S.,Ericsson, D.J.,Croll, T.,Turk, D.,Anderson, P.A.,Mark, A.E.,Dodds, P.N.,Mobli, M.,Kobe, B.,Williams, S.J. The CC domain structure from the wheat stem rust resistance protein Sr33 challenges paradigms for dimerization in plant NLR proteins. Proc.Natl.Acad.Sci.USA 2016 0 0 0 5TRB 27569044 Crystal structure of the RNF20 RING domain 2016-10-25 2016-11-02 Foglizzo, M.,Middleton, A.J.,Day, C.L. Structure and Function of the RING Domains of RNF20 and RNF40, Dimeric E3 Ligases that Monoubiquitylate Histone H2B. 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Molecular basis for increased susceptibility of Indigenous North Americans to seropositive rheumatoid arthritis. Ann. Rheum. Dis. 2017 76 1915 1923 5W1V 28972140 Structure of the HLA-E-VMAPRTLIL/GF4 TCR complex 2017-06-04 2017-10-04 Sullivan, L.C.,Walpole, N.G.,Farenc, C.,Pietra, G.,Sum, M.J.W.,Clements, C.S.,Lee, E.J.,Beddoe, T.,Falco, M.,Mingari, M.C.,Moretta, L.,Gras, S.,Rossjohn, J.,Brooks, A.G. A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct alpha beta T cell receptors. J. Biol. Chem. 2017 292 21149 21158 5W1W 28972140 Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex 2017-06-05 2017-10-04 Sullivan, L.C.,Walpole, N.G.,Farenc, C.,Pietra, G.,Sum, M.J.W.,Clements, C.S.,Lee, E.J.,Beddoe, T.,Falco, M.,Mingari, M.C.,Moretta, L.,Gras, S.,Rossjohn, J.,Brooks, A.G. A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct alpha beta T cell receptors. J. Biol. 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A molecular basis of human T cell receptor autoreactivity toward self-phospholipids. Sci Immunol 2017 2 0 0 5WOS 29053589 Structural and functional insights into Canarypox Virus CNP058 regulation of apoptosis 2017-08-02 2017-11-01 Anasir, M.I.,Baxter, A.A.,Poon, I.K.H.,Hulett, M.D.,Kvansakul, M. Structural and Functional Insight into Canarypox Virus CNP058 Mediated Regulation of Apoptosis. Viruses 2017 9 0 0 5UBM 29061764 Crystal structure of human C1s in complex with inhibitor gigastasin 2016-12-20 2017-11-08 Pang, S.S.,Wijeyewickrema, L.C.,Hor, L.,Tan, S.,Lameignere, E.,Conway, E.M.,Blom, A.M.,Mohlin, F.C.,Liu, X.,Payne, R.J.,Whisstock, J.C.,Pike, R.N. The Structural Basis for Complement Inhibition by Gigastasin, a Protease Inhibitor from the Giant Amazon Leech. J. 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PLoS ONE 2018 13 0 0 6APS 29481567 Trypanosoma brucei hypoxanthine guanine phosphoribosyltransferase in complex with [(2-((Guanine-9H-yl)methyl)propane-1,3 diyl)bis(oxy)]bis(methylene))diphosphonic acid 2017-08-17 2018-03-14 Dolezelova, E.,Teran, D.,Gahura, O.,Kotrbova, Z.,Prochazkova, M.,Keough, D.,Spacek, P.,Hockova, D.,Guddat, L.,Zikova, A. Evaluation of the Trypanosoma brucei 6-oxopurine salvage pathway as a potential target for drug discovery. PLoS Negl Trop Dis 2018 12 0 0 6BXP 29437277 Crystal Structure of HLA-B*57:01 with a modified HIV peptide RKV-Kyn 2017-12-18 2018-03-14 Ramarathinam, S.H.,Gras, S.,Alcantara, S.,Yeung, A.W.S.,Mifsud, N.A.,Sonza, S.,Illing, P.T.,Glaros, E.N.,Center, R.J.,Thomas, S.R.,Kent, S.J.,Ternette, N.,Purcell, D.F.J.,Rossjohn, J.,Purcell, A.W. Identification of Native and Posttranslationally Modified HLA-B*57:01-Restricted HIV Envelope Derived Epitopes Using Immunoproteomics. Proteomics 2018 18 0 0 5V3B 31534238 Human A20 OTU domain (WT) with acetamidylated C103 2017-03-07 2018-03-21 Zammit, N.W.,Siggs, O.M.,Gray, P.E.,Horikawa, K.,Langley, D.B.,Walters, S.N.,Daley, S.R.,Loetsch, C.,Warren, J.,Yap, J.Y.,Cultrone, D.,Russell, A.,Malle, E.K.,Villanueva, J.E.,Cowley, M.J.,Gayevskiy, V.,Dinger, M.E.,Brink, R.,Zahra, D.,Chaudhri, G.,Karupiah, G.,Whittle, B.,Roots, C.,Bertram, E.,Yamada, M.,Jeelall, Y.,Enders, A.,Clifton, B.E.,Mabbitt, P.D.,Jackson, C.J.,Watson, S.R.,Jenne, C.N.,Lanier, L.L.,Wiltshire, T.,Spitzer, M.H.,Nolan, G.P.,Schmitz, F.,Aderem, A.,Porebski, B.T.,Buckle, A.M.,Abbott, D.W.,Ziegler, J.B.,Craig, M.E.,Benitez-Aguirre, P.,Teo, J.,Tangye, S.G.,King, C.,Wong, M.,Cox, M.P.,Phung, W.,Tang, J.,Sandoval, W.,Wertz, I.E.,Christ, D.,Goodnow, C.C.,Grey, S.T. Denisovan, modern human and mouse TNFAIP3 alleles tune A20 phosphorylation and immunity. 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Nat.Immunol. 2019 20 1299 1310 5VYO 29440370 The complex structure of Burkholderia pseudomallei DsbA bound to a peptide 2017-05-25 2018-03-21 McMahon, R.M.,Ireland, P.M.,Sarovich, D.S.,Petit, G.,Jenkins, C.H.,Sarkar-Tyson, M.,Currie, B.J.,Martin, J.L. Virulence of the Melioidosis Pathogen Burkholderia pseudomallei Requires the Oxidoreductase Membrane Protein DsbB. Infect. Immun. 2018 86 0 0 5WPA 29530979 Structure of human SFPQ/PSPC1 heterodimer 2017-08-04 2018-03-21 Huang, J.,Casas Garcia, G.P.,Perugini, M.A.,Fox, A.H.,Bond, C.S.,Lee, M. Crystal structure of a SFPQ/PSPC1 heterodimer provides insights into preferential heterodimerization of human DBHS family proteins. J. Biol. 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Nat Commun 2018 9 1962 1962 6DCN 30626284 Bcl-xL complex with Beclin 1 BH3 domain T108pThr 2018-05-07 2018-05-23 Lee, E.F.,Smith, N.A.,Soares da Costa, T.P.,Meftahi, N.,Yao, S.,Harris, T.J.,Tran, S.,Pettikiriarachchi, A.,Perugini, M.A.,Keizer, D.W.,Evangelista, M.,Smith, B.J.,Fairlie, W.D. Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1. Autophagy 2019 15 785 795 6DCO 30626284 Bcl-xL complex with Beclin 1 BH3 domain T108D 2018-05-07 2018-05-30 Lee, E.F.,Smith, N.A.,Soares da Costa, T.P.,Meftahi, N.,Yao, S.,Harris, T.J.,Tran, S.,Pettikiriarachchi, A.,Perugini, M.A.,Keizer, D.W.,Evangelista, M.,Smith, B.J.,Fairlie, W.D. Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1. 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Sci Adv 2018 4 0 0 6BA2 30069049 Crystal structure of MYST acetyltransferase domain in complex with inhibitor 2017-10-11 2018-08-01 Baell, J.B.,Leaver, D.J.,Hermans, S.J.,Kelly, G.L.,Brennan, M.S.,Downer, N.L.,Nguyen, N.,Wichmann, J.,McRae, H.M.,Yang, Y.,Cleary, B.,Lagiakos, H.R.,Mieruszynski, S.,Pacini, G.,Vanyai, H.K.,Bergamasco, M.I.,May, R.E.,Davey, B.K.,Morgan, K.J.,Sealey, A.J.,Wang, B.,Zamudio, N.,Wilcox, S.,Garnham, A.L.,Sheikh, B.N.,Aubrey, B.J.,Doggett, K.,Chung, M.C.,de Silva, M.,Bentley, J.,Pilling, P.,Hattarki, M.,Dolezal, O.,Dennis, M.L.,Falk, H.,Ren, B.,Charman, S.A.,White, K.L.,Rautela, J.,Newbold, A.,Hawkins, E.D.,Johnstone, R.W.,Huntington, N.D.,Peat, T.S.,Heath, J.K.,Strasser, A.,Parker, M.W.,Smyth, G.K.,Street, I.P.,Monahan, B.J.,Voss, A.K.,Thomas, T. Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. 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PLoS ONE 2018 13 0 0 6ECM 30948714 Crystal Structure of SNX15 PX domain in domain swapped conformation 2018-08-08 2018-08-22 Chandra, M.,Chin, Y.K.,Mas, C.,Feathers, J.R.,Paul, B.,Datta, S.,Chen, K.E.,Jia, X.,Yang, Z.,Norwood, S.J.,Mohanty, B.,Bugarcic, A.,Teasdale, R.D.,Henne, W.M.,Mobli, M.,Collins, B.M. Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities. Nat Commun 2019 10 1528 1528 6EE0 30948714 Crystal Structure of SNX23 PX domain 2018-08-12 2018-08-22 Chandra, M.,Chin, Y.K.,Mas, C.,Feathers, J.R.,Paul, B.,Datta, S.,Chen, K.E.,Jia, X.,Yang, Z.,Norwood, S.J.,Mohanty, B.,Bugarcic, A.,Teasdale, R.D.,Henne, W.M.,Mobli, M.,Collins, B.M. Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities. Nat Commun 2019 10 1528 1528 6ARP Structure of a mutant Cetuximab Fab fragment 2017-08-23 2018-08-29 Christie, M.,Christ, D. 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Nat Commun 2018 9 3266 3266 6D9I 30134879 Pekin duck egg lysozyme isoform II (DEL-II) 2018-04-30 2018-09-05 Langley, D.B.,Christ, D. Crystal structure of duck egg lysozyme isoform II (DEL-II). BMC Struct. Biol. 2018 18 10 10 6EDX 30948714 Crystal Structure of SGK3 PX domain 2018-08-12 2018-09-05 Chandra, M.,Chin, Y.K.,Mas, C.,Feathers, J.R.,Paul, B.,Datta, S.,Chen, K.E.,Jia, X.,Yang, Z.,Norwood, S.J.,Mohanty, B.,Bugarcic, A.,Teasdale, R.D.,Henne, W.M.,Mobli, M.,Collins, B.M. Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities. Nat Commun 2019 10 1528 1528 6AUF Crystal structure of Metalo beta Lactamases MIM-1 from Novosphingobium pentaromativorans 2017-08-31 2018-09-12 Selleck, C. 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MAbs 2018 10 1018 1029 6DNL 30181210 Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the reduced form 2018-06-06 2018-09-12 Smith, R.P.,Mohanty, B.,Mowlaboccus, S.,Paxman, J.J.,Williams, M.L.,Headey, S.J.,Wang, G.,Subedi, P.,Doak, B.C.,Kahler, C.M.,Scanlon, M.J.,Heras, B. Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens. J. Biol. Chem. 2018 293 16559 16571 6DNU 30181210 Crystal Structure of Neisseria meningitidis DsbD c-terminal domain in the oxidised form 2018-06-07 2018-09-12 Smith, R.P.,Mohanty, B.,Mowlaboccus, S.,Paxman, J.J.,Williams, M.L.,Headey, S.J.,Wang, G.,Subedi, P.,Doak, B.C.,Kahler, C.M.,Scanlon, M.J.,Heras, B. Structural and biochemical insights into the disulfide reductase mechanism of DsbD, an essential enzyme for neisserial pathogens. J. Biol. 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U.S.A. 2018 115 0 0 6E8R Structure of the SNX32 PX domain in complex with Chlamydial protein IncE in space group I121 2018-07-31 2018-09-26 Paul, B.,Collins, B. Crystal structure of the SNX32 PX domain in complex with the Chlamydia trachomatis inclusion protein IncE To be Published 0 0 0 0 6MD5 Crystal structure of zebrafish Vps26A 2018-09-03 2018-09-26 Collins, B.M.,Leneva, N. TBA To Be Published 0 0 0 0 5VUD 30410026 HLA-B*57:01 presenting LSSPVTKSW 2017-05-19 2018-10-03 Illing, P.T.,Pymm, P.,Croft, N.P.,Hilton, H.G.,Jojic, V.,Han, A.S.,Mendoza, J.L.,Mifsud, N.A.,Dudek, N.L.,McCluskey, J.,Parham, P.,Rossjohn, J.,Vivian, J.P.,Purcell, A.W. HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. Nat Commun 2018 9 4693 4693 5VUE 30410026 HLA-B*57:01 presenting LTVQVARVW 2017-05-19 2018-10-03 Illing, P.T.,Pymm, P.,Croft, N.P.,Hilton, H.G.,Jojic, V.,Han, A.S.,Mendoza, J.L.,Mifsud, N.A.,Dudek, N.L.,McCluskey, J.,Parham, P.,Rossjohn, J.,Vivian, J.P.,Purcell, A.W. HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. Nat Commun 2018 9 4693 4693 5VUF 30410026 HLA-B*57:01 presenting LTVQVARVY 2017-05-19 2018-10-03 Illing, P.T.,Pymm, P.,Croft, N.P.,Hilton, H.G.,Jojic, V.,Han, A.S.,Mendoza, J.L.,Mifsud, N.A.,Dudek, N.L.,McCluskey, J.,Parham, P.,Rossjohn, J.,Vivian, J.P.,Purcell, A.W. HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. Nat Commun 2018 9 4693 4693 5VVP 30410026 HLA-B*57:03 presenting LSSPVTKSW 2017-05-19 2018-10-03 Illing, P.T.,Pymm, P.,Croft, N.P.,Hilton, H.G.,Jojic, V.,Han, A.S.,Mendoza, J.L.,Mifsud, N.A.,Dudek, N.L.,McCluskey, J.,Parham, P.,Rossjohn, J.,Vivian, J.P.,Purcell, A.W. HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. Nat Commun 2018 9 4693 4693 5VWD 30410026 HLA-B*57:03 presenting LTVQVARVW 2017-05-21 2018-10-03 Illing, P.T.,Pymm, P.,Croft, N.P.,Hilton, H.G.,Jojic, V.,Han, A.S.,Mendoza, J.L.,Mifsud, N.A.,Dudek, N.L.,McCluskey, J.,Parham, P.,Rossjohn, J.,Vivian, J.P.,Purcell, A.W. HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. Nat Commun 2018 9 4693 4693 5VWF 30410026 HLA-B*58:03 presenting LTVQVARVY 2017-05-21 2018-10-03 Illing, P.T.,Pymm, P.,Croft, N.P.,Hilton, H.G.,Jojic, V.,Han, A.S.,Mendoza, J.L.,Mifsud, N.A.,Dudek, N.L.,McCluskey, J.,Parham, P.,Rossjohn, J.,Vivian, J.P.,Purcell, A.W. HLA-B57 micropolymorphism defines the sequence and conformational breadth of the immunopeptidome. 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Proteins 2018 86 1306 1312 6H1N 30237469 Crystal Structure of a Zebra-fish pro-survival protein NRZ-apo 2018-07-12 2018-10-03 Suraweera, C.D.,Caria, S.,Jarva, M.,Hinds, M.G.,Kvansakul, M. A structural investigation of NRZ mediated apoptosis regulation in zebrafish. Cell Death Dis 2018 9 967 967 6MIS 31306685 Native ananain in complex with E-64 2018-09-20 2018-10-03 Yongqing, T.,Wilmann, P.G.,Pan, J.,West, M.L.,Brown, T.J.,Mynott, T.,Pike, R.N.,Wijeyewickrema, L.C. Determination of the crystal structure and substrate specificity of ananain. Biochimie 2019 166 194 202 5W9A 30282803 The structure of the Trim5alpha Bbox- coiled coil in complex LC3B 2017-06-22 2018-10-10 Keown, J.R.,Black, M.M.,Ferron, A.,Yap, M.,Barnett, M.J.,Pearce, F.G.,Stoye, J.P.,Goldstone, D.C. A helical LC3-interacting region mediates the interaction between the retroviral restriction factor Trim5 alpha and mammalian autophagy-related ATG8 proteins. J. Biol. 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Structure 2018 26 1612 0 6E7D 30397201 Structure of the inhibitory NKR-P1B receptor bound to the host-encoded ligand, Clr-b 2018-07-26 2018-10-24 Balaji, G.R.,Aguilar, O.A.,Tanaka, M.,Shingu-Vazquez, M.A.,Fu, Z.,Gully, B.S.,Lanier, L.L.,Carlyle, J.R.,Rossjohn, J.,Berry, R. Recognition of host Clr-b by the inhibitory NKR-P1B receptor provides a basis for missing-self recognition. Nat Commun 2018 9 4623 4623 6BFT Structure of Bevacizumab Fab mutant in complex with VEGF 2017-10-27 2018-10-31 Christie, M.,Rouet, R.,Nevoltris, D.,Langley, D.,Schofield, P.,Fabri, L.,Tingey, K.,Lowe, D.,Jermutus, L.,Christ, D. Stable human IgG antibody therapeutics with native framework structure To Be Published 0 0 0 0 6BGT Structure of Trastuzumab Fab mutant in complex with Her2 extracellular domain 2017-10-29 2018-10-31 Christie, M.,Rouet, R.,Nevoltris, D.,Langley, D.,Schofield, P.,Fabri, L.,Tingly, K.,Lowe, D.,Jermutus, L.,Christ, D. 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TAS-120 Cancer Target Binding: Defining Reactivity and Revealing the First Fibroblast Growth Factor Receptor 1 (FGFR1) Irreversible Structure. ChemMedChem 2019 14 494 500 5W7H Supercharged arPTE variant R5 2017-06-19 2019-01-23 Campbell, E.,Grant, J.,Wang, Y.,Sandhu, M.,Nisbet, D.,Perriman, A.,Lupton, D.,Jackson, C.J. Hydrogel-Immobilized Supercharged Proteins Adv Biosyst 2018 0 0 0 5WCP Phosphotriesterase variant S7 2017-07-01 2019-01-23 Miton, C.M.,Campbell, E.C.,Jackson, C.J.,Tokuriki, N. Phosphotriesterase variant S7 To Be Published 0 0 0 0 5WCR Phosphotriesterase variant R0deltaL7 2017-07-01 2019-01-23 Miton, C.M.,Campbell, E.C.,Jackson, C.J.,Tokuriki, N. Phosphotriesterase variant R0deltaL7 To Be Published 0 0 0 0 5WMS Phosphotriesterase variant S7 2017-07-31 2019-01-23 Miton, C.M.,Campbell, E.C.,Jackson, C.J.,Tokuriki, N. Phosphotriesterase variant S7 To Be Published 0 0 0 0 6BHK Phosphotriesterase variant R18deltaL7 2017-10-30 2019-01-23 Miton, C.M.,Campbell, E.C.,Jackson, C.J.,Tokuriki, N. Phosphotriesterase variant R18deltaL7 To Be Published 0 0 0 0 6CRD 30713159 INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) with tetrabrachion (TB) domain stalk 2018-03-16 2019-01-23 Streltsov, V.A.,Schmidt, P.M.,McKimm-Breschkin, J.L. Structure of an Influenza A virus N9 neuraminidase with a tetrabrachion-domain stalk. Acta Crystallogr.,Sect.F 2019 75 89 97 6D3X 30520638 Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma 2018-04-17 2019-01-23 Swedberg, J.E.,Wu, G.,Mahatmanto, T.,Durek, T.,Caradoc-Davies, T.T.,Whisstock, J.C.,Law, R.H.P.,Craik, D.J. Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma. J. Med. 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Nat Commun 2018 9 5427 5427 6MT4 30575715 Crystal Structure of HLA-B*37:01 in complex with NP338-L7S influenza peptide 2018-10-19 2019-02-13 Grant, E.J.,Josephs, T.M.,Loh, L.,Clemens, E.B.,Sant, S.,Bharadwaj, M.,Chen, W.,Rossjohn, J.,Gras, S.,Kedzierska, K. Broad CD8+T cell cross-recognition of distinct influenza A strains in humans. Nat Commun 2018 9 5427 5427 6MT5 30575715 Crystal Structure of HLA-B*37:01 in complex with NP338-V6L influenza peptide 2018-10-19 2019-02-13 Grant, E.J.,Josephs, T.M.,Loh, L.,Clemens, E.B.,Sant, S.,Bharadwaj, M.,Chen, W.,Rossjohn, J.,Gras, S.,Kedzierska, K. Broad CD8+T cell cross-recognition of distinct influenza A strains in humans. Nat Commun 2018 9 5427 5427 6MT6 30575715 Crystal Structure of HLA-B*37:01 in complex with NP338 influenza peptide 2018-10-19 2019-02-13 Grant, E.J.,Josephs, T.M.,Loh, L.,Clemens, E.B.,Sant, S.,Bharadwaj, M.,Chen, W.,Rossjohn, J.,Gras, S.,Kedzierska, K. 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Acta Crystallogr D Struct Biol 2019 75 296 307 6NMB 30814058 Tranexamic Acid is an Active Site Inhibitor of Urokinase Plasminogen Activator 2019-01-10 2019-03-06 Wu, G.,Mazzitelli, B.A.,Quek, A.J.,Veldman, M.J.,Conroy, P.J.,Caradoc-Davies, T.T.,Ooms, L.M.,Tuck, K.L.,Schoenecker, J.G.,Whisstock, J.C.,Law, R.H.P. Tranexamic acid is an active site inhibitor of urokinase plasminogen activator. Blood Adv 2019 3 729 733 6NZX Hadesarchaea YNP_N21 cytochrome b5 domain protein (KUO41884.1) 2019-02-14 2019-03-06 Teakel, S.L.,Marama, M.S.,Aragao, D.,Forwood, J.K.,Cahill, M.A. Hadesarchaea YNP_N21 cytochrome b5 domain protein (KUO41884.1) To Be Published 0 0 0 0 6E5A 30818268 PPARg in complex with compound 4b 2018-07-19 2019-03-13 Elzahhar, P.A.,Alaaeddine, R.,Ibrahim, T.M.,Nassra, R.,Ismail, A.,Chua, B.S.K.,Frkic, R.L.,Bruning, J.B.,Wallner, N.,Knape, T.,von Knethen, A.,Labib, H.,El-Yazbi, A.F.,Belal, A.S.F. Shooting three inflammatory targets with a single bullet: Novel multi-targeting anti-inflammatory glitazones. Eur J Med Chem 2019 167 562 582 6O1T 30978191 BOVINE SALIVARY PROTEIN FORM 30B WITH OLEIC ACID 2019-02-21 2019-03-13 Zhang, H.,Burrows, J.,Card, G.L.,Attwood, G.,Wheeler, T.T.,Arcus, V.L. The three dimensional structure of Bovine Salivary Protein 30b (BSP30b) and its interaction with specific rumen bacteria. Plos One 2019 14 0 0 6O21 31058493 Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor 2019-02-22 2019-03-13 Riley, B.T.,Ilyichova, O.,de Veer, S.J.,Swedberg, J.E.,Wilson, E.,Hoke, D.E.,Harris, J.M.,Buckle, A.M. KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors. Biochemistry 2019 58 2524 2533 5ZHN 31442049 Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor 2018-03-13 2019-03-27 Zhong, W.,Pasunooti, K.K.,Balamkundu, S.,Wong, Y.H.,Nah, Q.,Gadi, V.,Gnanakalai, S.,Chionh, Y.H.,McBee, M.E.,Gopal, P.,Lim, S.H.,Olivier, N.,Buurman, E.T.,Dick, T.,Liu, C.F.,Lescar, J.,Dedon, P.C. Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism. J.Med.Chem. 2019 62 7788 7805 5ZHN 31442049 Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor 2018-03-13 2019-03-27 Zhong, W.,Pasunooti, K.K.,Balamkundu, S.,Wong, Y.H.,Nah, Q.,Gadi, V.,Gnanakalai, S.,Chionh, Y.H.,McBee, M.E.,Gopal, P.,Lim, S.H.,Olivier, N.,Buurman, E.T.,Dick, T.,Liu, C.F.,Lescar, J.,Dedon, P.C. 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ACS Med Chem Lett 2018 9 935 940 5ZXN 30251539 Crystal structure of CurA from Vibrio vulnificus 2018-05-21 2019-04-03 Park, S.B.,Bae, D.W.,Clavio, N.A.B.,Zhao, L.,Jeong, C.S.,Choi, B.M.,Macalino, S.J.Y.,Cha, H.J.,Park, J.B.,Lee, J.H.,Nam, S.J.,Choi, S.,Kim, M.K.,Cha, S.S. Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus. J. Agric. Food Chem. 2018 66 10608 10616 5ZXU 30251539 Crystal structure of CurA in complex with NADPH from Vibrio vulnificus 2018-05-21 2019-04-03 Park, S.B.,Bae, D.W.,Clavio, N.A.B.,Zhao, L.,Jeong, C.S.,Choi, B.M.,Macalino, S.J.Y.,Cha, H.J.,Park, J.B.,Lee, J.H.,Nam, S.J.,Choi, S.,Kim, M.K.,Cha, S.S. Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus. J. Agric. 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Iscience 2019 19 110 118 6DN5 30226743 SPRY domain-containing SOCS box protein 2 complexed with WDINNN(BAL) cyclic peptide inhibitor 2018-06-06 2019-04-17 Sadek, M.M.,Barlow, N.,Leung, E.W.W.,Williams-Noonan, B.J.,Yap, B.K.,Shariff, F.M.,Caradoc-Davies, T.T.,Nicholson, S.E.,Chalmers, D.K.,Thompson, P.E.,Law, R.H.P.,Norton, R.S. A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent. ACS Chem. Biol. 2018 13 2930 2938 6DN7 30226743 SPRY domain-containing SOCS box protein 2 complexed with WDINNN(BAL) Cyclic peptide inhibitor 2018-06-06 2019-04-17 Sadek, M.M.,Barlow, N.,Leung, E.W.W.,Williams-Noonan, B.J.,Yap, B.K.,Shariff, F.M.,Caradoc-Davies, T.T.,Nicholson, S.E.,Chalmers, D.K.,Thompson, P.E.,Law, R.H.P.,Norton, R.S. A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent. ACS Chem. Biol. 2018 13 2930 2938 6DN8 30226743 SPRY domain-containing SOCS box protein 2 complexed with (GZJ)VDINNN(CY3) Cyclic peptide inhibitor 2018-06-06 2019-04-17 Sadek, M.M.,Barlow, N.,Leung, E.W.W.,Williams-Noonan, B.J.,Yap, B.K.,Shariff, F.M.,Caradoc-Davies, T.T.,Nicholson, S.E.,Chalmers, D.K.,Thompson, P.E.,Law, R.H.P.,Norton, R.S. A Cyclic Peptide Inhibitor of the iNOS-SPSB Protein-Protein Interaction as a Potential Anti-Infective Agent. ACS Chem. Biol. 2018 13 2930 2938 6EEZ 30950399 Crystal Structure of the thiol-disulfide exchange protein alpha-DsbA2 from Wolbachia pipientis 2018-08-15 2019-04-17 Walden, P.M.,Whitten, A.E.,Premkumar, L.,Halili, M.A.,Heras, B.,King, G.J.,Martin, J.L. The atypical thiol-disulfide exchange protein alpha-DsbA2 from Wolbachia pipientis is a homotrimeric disulfide isomerase. Acta Crystallogr D Struct Biol 2019 75 283 295 6MRY 30794440 NoD173 plant defensin 2018-10-15 2019-04-24 Lay, F.T.,Ryan, G.F.,Caria, S.,Phan, T.K.,Veneer, P.K.,White, J.A.,Kvansakul, M.,Hulett, M.D. Structural and functional characterization of the membrane-permeabilizing activity ofNicotiana occidentalisdefensin NoD173 and protein engineering to enhance oncolysis. Faseb J. 2019 33 6470 6482 6N2A Meso-Diaminopimelate Decarboxylase from Arabidopsis thaliana (Isoform 1) 2018-11-12 2019-04-24 Crowther, J.M.,Cross, P.J.,Oliver, M.R.,Leeman, M.M.,Bartl, A.J.,Weatherhead, A.W.,North, R.A.,Donovan, K.A.,Kessans, S.A.,Griffin, M.D.W.,Suzuki, H.,Hudson, A.O.,Kassanmescheff, M.,Dobson, R.C.J. Active site gating provides stereochemical control for meso-diaminopimelate decarboxylase To Be Published 0 0 0 0 6N2A Meso-Diaminopimelate Decarboxylase from Arabidopsis thaliana (Isoform 1) 2018-11-12 2019-04-24 Crowther, J.M.,Cross, P.J.,Oliver, M.R.,Leeman, M.M.,Bartl, A.J.,Weatherhead, A.W.,North, R.A.,Donovan, K.A.,Kessans, S.A.,Griffin, M.D.W.,Suzuki, H.,Hudson, A.O.,Kassanmescheff, M.,Dobson, R.C.J. Active site gating provides stereochemical control for meso-diaminopimelate decarboxylase To Be Published 0 0 0 0 6N2F Meso-Diaminopimelate Decarboxylase from Arabidopsis thaliana (Isoform 2) 2018-11-12 2019-04-24 Crowther, J.M.,Cross, P.J.,Oliver, M.R.,Leeman, M.M.,Bartl, A.J.,Weatherhead, A.W.,North, R.A.,Donovan, K.A.,Kessans, S.A.,Griffin, M.D.W.,Suzuki, H.,Hudson, A.O.,Kassanmescheff, M.,Dobson, R.C.J. Active site gating provides stereochemical control for meso-diaminopimelate decarboxylase To Be Published 0 0 0 0 6N2F Meso-Diaminopimelate Decarboxylase from Arabidopsis thaliana (Isoform 2) 2018-11-12 2019-04-24 Crowther, J.M.,Cross, P.J.,Oliver, M.R.,Leeman, M.M.,Bartl, A.J.,Weatherhead, A.W.,North, R.A.,Donovan, K.A.,Kessans, S.A.,Griffin, M.D.W.,Suzuki, H.,Hudson, A.O.,Kassanmescheff, M.,Dobson, R.C.J. Active site gating provides stereochemical control for meso-diaminopimelate decarboxylase To Be Published 0 0 0 0 6NFQ 30981030 CopC from Pseudomonas fluorescens 2018-12-20 2019-04-24 Udagedara, S.R.,Wijekoon, C.J.K.,Xiao, Z.,Wedd, A.G.,Maher, M.J. The crystal structure of the CopC protein from Pseudomonas fluorescens reveals amended classifications for the CopC protein family. J. Inorg. Biochem. 2019 195 194 200 6NFR 30981030 CopC from Pseudomonas fluorescens 2018-12-20 2019-04-24 Udagedara, S.R.,Wijekoon, C.J.K.,Xiao, Z.,Wedd, A.G.,Maher, M.J. The crystal structure of the CopC protein from Pseudomonas fluorescens reveals amended classifications for the CopC protein family. J. Inorg. Biochem. 2019 195 194 200 6NFS 30981030 CopC from Pseudomonas fluorescens 2018-12-20 2019-04-24 Udagedara, S.R.,Wijekoon, C.J.K.,Xiao, Z.,Wedd, A.G.,Maher, M.J. The crystal structure of the CopC protein from Pseudomonas fluorescens reveals amended classifications for the CopC protein family. J. Inorg. Biochem. 2019 195 194 200 6D96 Structure of influenza neuraminidase from strain A/BrevigMission/1/1918(H1N1) expressed in HEK-293E cells 2018-04-27 2019-05-01 Campbell, A.C.,Tanner, J.J.,Krause, K.L. Optimisation of neuraminidase expression by HEK-293E cells for use in structural biology To Be Published 0 0 0 0 6IDV 31123145 Peptide Asparaginyl Ligases from Viola yedoensis 2018-09-11 2019-05-15 Hemu, X.,El Sahili, A.,Hu, S.,Wong, K.,Chen, Y.,Wong, Y.H.,Zhang, X.,Serra, A.,Goh, B.C.,Darwis, D.A.,Chen, M.W.,Sze, S.K.,Liu, C.F.,Lescar, J.,Tam, J.P. Structural determinants for peptide-bond formation by asparaginyl ligases. Proc.Natl.Acad.Sci.USA 2019 116 11737 11746 6MWS 31045569 crystal structure of the reduced Grx1 from Saccharomyces cerevisiae 2018-10-30 2019-05-15 Maghool, S.,La Fontaine, S.,Maher, M.J. High-resolution crystal structure of the reduced Grx1 from Saccharomyces cerevisiae. Acta Crystallogr.,Sect.F 2019 75 392 396 6O0K 31160589 crystal structure of BCL-2 with venetoclax 2019-02-16 2019-05-22 Birkinshaw, R.W.,Gong, J.N.,Luo, C.S.,Lio, D.,White, C.A.,Anderson, M.A.,Blombery, P.,Lessene, G.,Majewski, I.J.,Thijssen, R.,Roberts, A.W.,Huang, D.C.S.,Colman, P.M.,Czabotar, P.E. Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun 2019 10 2385 2385 6O0L 31160589 crystal structure of BCL-2 G101V mutation with venetoclax 2019-02-16 2019-05-22 Birkinshaw, R.W.,Gong, J.N.,Luo, C.S.,Lio, D.,White, C.A.,Anderson, M.A.,Blombery, P.,Lessene, G.,Majewski, I.J.,Thijssen, R.,Roberts, A.W.,Huang, D.C.S.,Colman, P.M.,Czabotar, P.E. Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun 2019 10 2385 2385 6O0M 31160589 crystal structure of BCL-2 F104L mutation with venetoclax 2019-02-16 2019-05-22 Birkinshaw, R.W.,Gong, J.N.,Luo, C.S.,Lio, D.,White, C.A.,Anderson, M.A.,Blombery, P.,Lessene, G.,Majewski, I.J.,Thijssen, R.,Roberts, A.W.,Huang, D.C.S.,Colman, P.M.,Czabotar, P.E. Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun 2019 10 2385 2385 6O0O 31160589 crystal structure of BCL-2 G101V mutation with S55746 2019-02-17 2019-05-22 Birkinshaw, R.W.,Gong, J.N.,Luo, C.S.,Lio, D.,White, C.A.,Anderson, M.A.,Blombery, P.,Lessene, G.,Majewski, I.J.,Thijssen, R.,Roberts, A.W.,Huang, D.C.S.,Colman, P.M.,Czabotar, P.E. Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun 2019 10 2385 2385 6O0P 31160589 crystal structure of BCL-2 G101A mutation with venetoclax 2019-02-17 2019-05-22 Birkinshaw, R.W.,Gong, J.N.,Luo, C.S.,Lio, D.,White, C.A.,Anderson, M.A.,Blombery, P.,Lessene, G.,Majewski, I.J.,Thijssen, R.,Roberts, A.W.,Huang, D.C.S.,Colman, P.M.,Czabotar, P.E. Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Nat Commun 2019 10 2385 2385 6MH2 30900875 Structure of Herceptin Fab without antigen 2018-09-17 2019-05-29 Luthra, A.,Langley, D.B.,Schofield, P.,Jackson, J.,Abdelatti, M.,Rouet, R.,Nevoltris, D.,Mazigi, O.,Crossett, B.,Christie, M.,Christ, D. Human Antibody Bispecifics through Phage Display Selection. Biochemistry 2019 58 1701 1704 5ZMA 31285279 Structural basis for an allosteric Eya2 phosphatase inhibitor 2018-04-02 2019-06-05 Anantharajan, J.,Zhou, H.,Zhang, L.,Hotz, T.,Vincent, M.Y.,Blevins, M.A.,Jansson, A.E.,Kuan, J.W.L.,Ng, E.Y.,Yeo, Y.K.,Baburajendran, N.,Lin, G.,Hung, A.W.,Joy, J.,Patnaik, S.,Marugan, J.,Rudra, P.,Ghosh, D.,Hill, J.,Keller, T.H.,Zhao, R.,Ford, H.L.,Kang, C. Structural and Functional Analyses of an Allosteric EYA2 Phosphatase Inhibitor That Has On-Target Effects in Human Lung Cancer Cells. Mol.Cancer Ther. 2019 18 1484 1496 6DN0 Retrofitted antibodies with stabilizing mutations: Herceptin scFv mutant with VH K30D and VL S52D. 2018-06-05 2019-06-12 Roome, B.,Langley, D.B.,Rouet, R.,Christ, D. Retrofitting antibodies with stabilizing mutations To Be Published 0 0 0 0 6DN4 Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif 2018-06-06 2019-06-12 Monteiro Pedroso, M.,Waite, D.,Melse, O.,Wilson, L.,Natasa, M.,McGeary, R.,Antes, I.,Guddat, L.,Hugenholtz, P.,Schenk, G. Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell 2020 0 0 0 6DN4 Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif 2018-06-06 2019-06-12 Monteiro Pedroso, M.,Waite, D.,Melse, O.,Wilson, L.,Natasa, M.,McGeary, R.,Antes, I.,Guddat, L.,Hugenholtz, P.,Schenk, G. Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell 2020 0 0 0 6DQ2 Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif mutant S60 2018-06-10 2019-06-12 Monteiro Pedroso, M.,Waite, D.,Melse, O.,Wilson, L.,Mitic, N.,McGeary, R.,Antes, I.,Guddat, L.,Hugenholtz, P.,Schenk, G. Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell 2020 0 0 0 6DQ2 Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif mutant S60 2018-06-10 2019-06-12 Monteiro Pedroso, M.,Waite, D.,Melse, O.,Wilson, L.,Mitic, N.,McGeary, R.,Antes, I.,Guddat, L.,Hugenholtz, P.,Schenk, G. Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell 2020 0 0 0 6HUN 31205016 Dimeric Archeal Rubisco from Hyperthermus butylicus 2018-10-09 2019-06-12 Bundela, R.,Keown, J.,Watkin, S.,Pearce, F.G. Structure of a hyperthermostable dimeric archaeal Rubisco from Hyperthermus butylicus. Acta Crystallogr D Struct Biol 2019 75 536 544 6DQH Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif 2018-06-11 2019-06-19 Monteiro Pedroso, M.,Waite, D.,Melse, O.,Wilson, L.,Mitic, N.,McGeary, R.,Antes, I.,Guddat, L.,Hugenholtz, P.,Schenk, G. Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell 2020 0 0 0 6DQH Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif 2018-06-11 2019-06-19 Monteiro Pedroso, M.,Waite, D.,Melse, O.,Wilson, L.,Mitic, N.,McGeary, R.,Antes, I.,Guddat, L.,Hugenholtz, P.,Schenk, G. Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell 2020 0 0 0 6DR8 Metallo-beta-lactamase from Cronobacter sakazakii (Enterobacter sakazakii) HARLDQ motif mutant S60/R118H/Q121H/K254H 2018-06-11 2019-06-19 Monteiro Pedroso, M.,Waite, D.,Melse, O.,Wilson, L.,Mitic, N.,McGeary, R.,Antes, I.,Guddat, L.,Hugenholtz, P.,Schenk, G. Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell 2020 0 0 0 6DR8 Metallo-beta-lactamase from Cronobacter sakazakii (Enterobacter sakazakii) HARLDQ motif mutant S60/R118H/Q121H/K254H 2018-06-11 2019-06-19 Monteiro Pedroso, M.,Waite, D.,Melse, O.,Wilson, L.,Mitic, N.,McGeary, R.,Antes, I.,Guddat, L.,Hugenholtz, P.,Schenk, G. Broad spectrum antibiotic-degrading metallo-beta-lactamases are phylogenetically diverse Protein Cell 2020 0 0 0 6DSI Anti recombinant prolactin receptor scFv 2018-06-14 2019-06-19 Rouet, R.,Langley, D.B.,Christ, D. Anti recombinant prolactin receptor scFv To Be Published 0 0 0 0 6JPW 31188009 Crystal structure of Zika NS2B-NS3 protease with compound 1C 2019-03-28 2019-06-26 Nitsche, C.,Onagi, H.,Quek, J.P.,Otting, G.,Luo, D.,Huber, T. Biocompatible Macrocyclization between Cysteine and 2-Cyanopyridine Generates Stable Peptide Inhibitors. Org.Lett. 2019 21 4709 4712 6NCQ 31204691 The dimerization domain of human SFPQ in space group C2221 2018-12-12 2019-06-26 Hewage, T.W.,Caria, S.,Lee, M. A new crystal structure and small-angle X-ray scattering analysis of the homodimer of human SFPQ. Acta Crystallogr.,Sect.F 2019 75 439 449 6OIP 31256587 Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34 2019-04-09 2019-07-03 Leaver, D.J.,Cleary, B.,Nguyen, N.,Priebbenow, D.L.,Lagiakos, H.R.,Sanchez, J.,Xue, L.,Huang, F.,Sun, Y.,Mujumdar, P.,Mudududdla, R.,Varghese, S.,Teguh, S.,Charman, S.A.,White, K.L.,Katneni, K.,Cuellar, M.,Strasser, J.M.,Dahlin, J.L.,Walters, M.A.,Street, I.P.,Monahan, B.J.,Jarman, K.E.,Sabroux, H.J.,Falk, H.,Chung, M.C.,Hermans, S.J.,Parker, M.W.,Thomas, T.,Baell, J.B. Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A. J.Med.Chem. 2019 62 7146 7159 6OIR 31256587 Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62 2019-04-09 2019-07-03 Leaver, D.J.,Cleary, B.,Nguyen, N.,Priebbenow, D.L.,Lagiakos, H.R.,Sanchez, J.,Xue, L.,Huang, F.,Sun, Y.,Mujumdar, P.,Mudududdla, R.,Varghese, S.,Teguh, S.,Charman, S.A.,White, K.L.,Katneni, K.,Cuellar, M.,Strasser, J.M.,Dahlin, J.L.,Walters, M.A.,Street, I.P.,Monahan, B.J.,Jarman, K.E.,Sabroux, H.J.,Falk, H.,Chung, M.C.,Hermans, S.J.,Parker, M.W.,Thomas, T.,Baell, J.B. Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A. J.Med.Chem. 2019 62 7146 7159 6NVG 31413803 FGFR4 complex with N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)acrylamide 2019-02-05 2019-07-10 Lin, X.,Yosaatmadja, Y.,Kalyukina, M.,Middleditch, M.J.,Zhang, Z.,Lu, X.,Ding, K.,Patterson, A.V.,Smaill, J.B.,Squire, C.J. Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett. 2019 10 1180 1186 6NVH 31413803 FGFR4 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide 2019-02-05 2019-07-10 Lin, X.,Yosaatmadja, Y.,Kalyukina, M.,Middleditch, M.J.,Zhang, Z.,Lu, X.,Ding, K.,Patterson, A.V.,Smaill, J.B.,Squire, C.J. Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett. 2019 10 1180 1186 6NVI 31413803 FGFR4 complex with N-(3-chloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-5-fluorophenyl)acrylamide 2019-02-05 2019-07-10 Lin, X.,Yosaatmadja, Y.,Kalyukina, M.,Middleditch, M.J.,Zhang, Z.,Lu, X.,Ding, K.,Patterson, A.V.,Smaill, J.B.,Squire, C.J. Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett. 2019 10 1180 1186 6NVK 31413803 FGFR4 complex with BLU-554, N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide 2019-02-05 2019-07-10 Lin, X.,Yosaatmadja, Y.,Kalyukina, M.,Middleditch, M.J.,Zhang, Z.,Lu, X.,Ding, K.,Patterson, A.V.,Smaill, J.B.,Squire, C.J. Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett. 2019 10 1180 1186 6NVL 31413803 FGFR1 complex with N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide 2019-02-05 2019-07-10 Lin, X.,Yosaatmadja, Y.,Kalyukina, M.,Middleditch, M.J.,Zhang, Z.,Lu, X.,Ding, K.,Patterson, A.V.,Smaill, J.B.,Squire, C.J. Rotational Freedom, Steric Hindrance, and Protein Dynamics Explain BLU554 Selectivity for the Hinge Cysteine of FGFR4. Acs Med.Chem.Lett. 2019 10 1180 1186 6O3O 31253644 Structure of human DNAM-1 (CD226) bound to nectin-like protein-5 (necl-5) 2019-02-27 2019-07-10 Deuss, F.A.,Watson, G.M.,Goodall, K.J.,Leece, I.,Chatterjee, S.,Fu, Z.,Thaysen-Andersen, M.,Andrews, D.M.,Rossjohn, J.,Berry, R. Structural basis for the recognition of nectin-like protein-5 by the human-activating immune receptor, DNAM-1. J.Biol.Chem. 2019 294 12534 12546 6Q45 31238823 F1-ATPase from Fusobacterium nucleatum 2018-12-05 2019-07-10 Petri, J.,Nakatani, Y.,Montgomery, M.G.,Ferguson, S.A.,Aragao, D.,Leslie, A.G.W.,Heikal, A.,Walker, J.E.,Cook, G.M. Structure of F1-ATPase from the obligate anaerobe Fusobacterium nucleatum. Open Biology 2019 9 190066 190066 6I8X 31273060 As-p18, an extracellular fatty acid binding protein 2018-11-21 2019-07-17 Ibanez-Shimabukuro, M.,Rey-Burusco, M.F.,Gabrielsen, M.,Franchini, G.R.,Riboldi-Tunnicliffe, A.,Roe, A.J.,Griffiths, K.,Cooper, A.,Corsico, B.,Kennedy, M.W.,Smith, B.O. As-p18, an extracellular fatty acid binding protein of nematodes, exhibits unusual structural features. Biosci.Rep. 2019 0 0 0 6NWH 31282473 Structures of the transcriptional regulator BgaR, a lactose sensor. 2019-02-06 2019-07-17 Newman, J.,Caron, K.,Nebl, T.,Peat, T.S. Structures of the transcriptional regulator BgaR, a lactose sensor. Acta Crystallogr D Struct Biol 2019 75 639 646 6NWJ 31282473 Structures of the transcriptional regulator BgaR, a lactose sensor. 2019-02-06 2019-07-17 Newman, J.,Caron, K.,Nebl, T.,Peat, T.S. Structures of the transcriptional regulator BgaR, a lactose sensor. Acta Crystallogr D Struct Biol 2019 75 639 646 6NWM 31282473 Structures of the transcriptional regulator BgaR, a lactose sensor. 2019-02-06 2019-07-17 Newman, J.,Caron, K.,Nebl, T.,Peat, T.S. Structures of the transcriptional regulator BgaR, a lactose sensor. Acta Crystallogr D Struct Biol 2019 75 639 646 6NWO 31282473 Structures of the transcriptional regulator BgaR, a lactose sensor. 2019-02-06 2019-07-17 Newman, J.,Caron, K.,Nebl, T.,Peat, T.S. Structures of the transcriptional regulator BgaR, a lactose sensor. Acta Crystallogr D Struct Biol 2019 75 639 646 6NX3 31282473 Structures of the transcriptional regulator BgaR, a lactose sensor. 2019-02-07 2019-07-17 Newman, J.,Caron, K.,Nebl, T.,Peat, T.S. Structures of the transcriptional regulator BgaR, a lactose sensor. Acta Crystallogr D Struct Biol 2019 75 639 646 6OG4 31295457 plasminogen binding group A streptococcal M protein 2019-04-01 2019-07-24 Quek, A.J.H.,Mazzitelli, B.A.,Wu, G.,Leung, E.W.W.,Caradoc-Davies, T.T.,Lloyd, G.J.,Jeevarajah, D.,Conroy, P.J.,Sanderson-Smith, M.,Yuan, Y.,Ayinuola, Y.A.,Castellino, F.J.,Whisstock, J.C.,Law, R.H.P. Structure and Function Characterization of the a1a2 Motifs of Streptococcus pyogenes M Protein in Human Plasminogen Binding. J.Mol.Biol. 2019 431 3804 3813 6DFK 31384003 Crystal structure of the 11S subunit of the Plasmodium falciparum proteasome, PA28 2018-05-15 2019-08-07 Xie, S.C.,Metcalfe, R.D.,Hanssen, E.,Yang, T.,Gillett, D.L.,Leis, A.P.,Morton, C.J.,Kuiper, M.J.,Parker, M.W.,Spillman, N.J.,Wong, W.,Tsu, C.,Dick, L.R.,Griffin, M.D.W.,Tilley, L. The structure of the PA28-20S proteasome complex from Plasmodium falciparum and implications for proteostasis. Nat Microbiol 2019 4 1990 2000 6P90 31330085 Crystal structure of PaDHDPS2-H56Q mutant 2019-06-08 2019-08-07 Impey, R.E.,Panjikar, S.,Hall, C.J.,Bock, L.J.,Sutton, J.M.,Perugini, M.A.,Soares da Costa, T.P. Identification of two dihydrodipicolinate synthase isoforms from Pseudomonas aeruginosa that differ in allosteric regulation. Febs J. 2020 287 386 400 6ECJ 33480393 Human cytochrome c G41T 2018-08-08 2019-08-14 Fellner, M.,Parakra, R.,McDonald, K.O.,Kass, I.,Jameson, G.N.L.,Wilbanks, S.M.,Ledgerwood, E.C. Altered structure and dynamics of pathogenic cytochrome c variants correlate with increased apoptotic activity. Biochem.J. 2021 0 0 0 6EDW 31604954 Crystal structure of Mycobacterium tuberculosis ICL2 in the apo form 2018-08-12 2019-08-14 Bhusal, R.P.,Jiao, W.,Kwai, B.X.C.,Reynisson, J.,Collins, A.J.,Sperry, J.,Bashiri, G.,Leung, I.K.H. Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2. Nat Commun 2019 10 4639 4639 6EDZ 31604954 Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-CoA, form I 2018-08-12 2019-08-14 Bhusal, R.P.,Jiao, W.,Kwai, B.X.C.,Reynisson, J.,Collins, A.J.,Sperry, J.,Bashiri, G.,Leung, I.K.H. Acetyl-CoA-mediated activation of Mycobacterium tuberculosis isocitrate lyase 2. Nat Commun 2019 10 4639 4639 6EE1 31604954 Crystal structure of Mycobacterium tuberculosis ICL2 in complex with acetyl-CoA 2018-08-12 2019-08-14 Bhusal, R.P.,Jiao, W.,Kwai, B.X.C.,Reynisson, J.,Collins, A.J.,Sperry, J.,Bashiri, G.,Leung, I.K.H. 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The Crystal Structure of 2,5-diamino-6-(ribosylamino)-4(3H)-pyrimidinone 5'-phosphate reductase (MthRED) from Methanothermobacter thermautotrophicus To Be Published 0 0 0 0 6KK2 32501637 Crystal structure of Zika NS2B-NS3 protease with compound 2 2019-07-23 2020-06-17 Braun, N.J.,Quek, J.P.,Huber, S.,Kouretova, J.,Rogge, D.,Lang-Henkel, H.,Cheong, E.Z.K.,Chew, B.L.A.,Heine, A.,Luo, D.,Steinmetzer, T. Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. Chemmedchem 2020 15 1439 1452 6KK4 32501637 Crystal structure of Zika NS2B-NS3 protease with compound 9 2019-07-23 2020-06-17 Braun, N.J.,Quek, J.P.,Huber, S.,Kouretova, J.,Rogge, D.,Lang-Henkel, H.,Cheong, E.Z.K.,Chew, B.L.A.,Heine, A.,Luo, D.,Steinmetzer, T. Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. 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Proc.Natl.Acad.Sci.USA 2021 118 0 0 7CK2 33729990 Crystal structure of Arabidopsis CESA3 catalytic domain with UDP-Glucose 2020-07-15 2021-03-17 Qiao, Z.,Lampugnani, E.R.,Yan, X.F.,Khan, G.A.,Saw, W.G.,Hannah, P.,Qian, F.,Calabria, J.,Miao, Y.,Gruber, G.,Persson, S.,Gao, Y.G. Structure of Arabidopsis CESA3 catalytic domain with its substrate UDP-glucose provides insight into the mechanism of cellulose synthesis. Proc.Natl.Acad.Sci.USA 2021 118 0 0 7CK3 33729990 Crystal structure of Arabidopsis CESA3 catalytic domain 2020-07-15 2021-03-17 Qiao, Z.,Lampugnani, E.R.,Yan, X.F.,Khan, G.A.,Saw, W.G.,Hannah, P.,Qian, F.,Calabria, J.,Miao, Y.,Gruber, G.,Persson, S.,Gao, Y.G. Structure of Arabidopsis CESA3 catalytic domain with its substrate UDP-glucose provides insight into the mechanism of cellulose synthesis. Proc.Natl.Acad.Sci.USA 2021 118 0 0 7K09 33664348 Puromycin N-acetyltransferase in complex with acetyl-CoA 2020-09-03 2021-03-17 Caputo, A.T.,Eder, O.M.,Bereznakova, H.,Pothuis, H.,Ardevol, A.,Newman, J.,Nuttall, S.,Peat, T.S.,Adams, T.E. Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins. Sci Rep 2021 11 5247 5247 7K0A 33664348 Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA 2020-09-03 2021-03-17 Caputo, A.T.,Eder, O.M.,Bereznakova, H.,Pothuis, H.,Ardevol, A.,Newman, J.,Nuttall, S.,Peat, T.S.,Adams, T.E. Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins. Sci Rep 2021 11 5247 5247 7K0A 33664348 Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA 2020-09-03 2021-03-17 Caputo, A.T.,Eder, O.M.,Bereznakova, H.,Pothuis, H.,Ardevol, A.,Newman, J.,Nuttall, S.,Peat, T.S.,Adams, T.E. Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins. Sci Rep 2021 11 5247 5247 7K0A 33664348 Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA 2020-09-03 2021-03-17 Caputo, A.T.,Eder, O.M.,Bereznakova, H.,Pothuis, H.,Ardevol, A.,Newman, J.,Nuttall, S.,Peat, T.S.,Adams, T.E. Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins. Sci Rep 2021 11 5247 5247 7K4O 33559614 Tannin acyl hydrolase from Aspergillus niger 2020-09-15 2021-03-17 Dong, L.,McKinstry, W.J.,Pan, L.,Newman, J.,Ren, B. Crystal structure of fungal tannase from Aspergillus niger. Acta Crystallogr D Struct Biol 2021 77 267 277 6XA8 33684218 Crystal Structure of Human Scribble PDZ1:Vangl2 complex 2020-06-04 2021-03-24 How, J.Y.,Stephens, R.K.,Lim, K.Y.B.,Humbert, P.O.,Kvansakul, M. Structural basis of the human Scribble-Vangl2 association in health and disease. Biochem.J. 2021 478 1321 1332 7JM4 33533913 IRF Transcription Factor 2020-07-31 2021-03-24 Sundararaj, S.,Seneviratne, S.,Williams, S.J.,Enders, A.,Casarotto, M.G. Structural determinants of the IRF4/DNA homodimeric complex. Nucleic Acids Res. 2021 49 2255 2265 7K0X 33766885 Marsupial T cell receptor Spl_145 2020-09-06 2021-03-24 Morrissey, K.A.,Wegrecki, M.,Praveena, T.,Hansen, V.L.,Bu, L.,Sivaraman, K.K.,Darko, S.,Douek, D.C.,Rossjohn, J.,Miller, R.D.,Le Nours, J. The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage. Science 2021 371 1383 1388 7KL8 34161270 Structure of F420 binding protein Rv1558 from Mycobacterium tuberculosis with F420 bound 2020-10-29 2021-03-24 Aragaw, W.W.,Lee, B.M.,Yang, X.,Zimmerman, M.D.,Gengenbacher, M.,Dartois, V.,Chui, W.K.,Jackson, C.J.,Dick, T. Potency boost of a Mycobacterium tuberculosis dihydrofolate reductase inhibitor by multienzyme F 420 H 2 -dependent reduction. Proc.Natl.Acad.Sci.USA 2021 118 0 0 7KVW 33947858 Non-ribosomal didomain (holo-PCP-C) acceptor bound state 2020-11-29 2021-03-24 Izore, T.,Candace Ho, Y.T.,Kaczmarski, J.A.,Gavriilidou, A.,Chow, K.H.,Steer, D.L.,Goode, R.J.A.,Schittenhelm, R.B.,Tailhades, J.,Tosin, M.,Challis, G.L.,Krenske, E.H.,Ziemert, N.,Jackson, C.J.,Cryle, M.J. Structures of a non-ribosomal peptide synthetase condensation domain suggest the basis of substrate selectivity. Nat Commun 2021 12 2511 2511 7L15 33766885 Marsupial T cell receptor Spl_118 2020-12-14 2021-03-24 Morrissey, K.A.,Wegrecki, M.,Praveena, T.,Hansen, V.L.,Bu, L.,Sivaraman, K.K.,Darko, S.,Douek, D.C.,Rossjohn, J.,Miller, R.D.,Le Nours, J. The molecular assembly of the marsupial gamma mu T cell receptor defines a third T cell lineage. Science 2021 371 1383 1388 6W9Y De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release 2020-03-24 2021-03-31 Elazar, A.,Chandler, N.J.,Davey, A.S.,Weinstein, J.Y.,Nguyen, J.V.,Trenker, R.,Jenkins, M.,Call, M.J.,Call, M.E.,Fleishman, S.J. De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release To Be Published 0 0 0 0 6W9Z De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release 2020-03-24 2021-03-31 Elazar, A.,Chandler, N.J.,Davey, A.S.,Weinstein, J.Y.,Nguyen, J.V.,Trenker, R.,Jenkins, M.,Call, M.J.,Call, M.E.,Fleishman, S.J. De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release To Be Published 0 0 0 0 6WA0 De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release 2020-03-24 2021-03-31 Elazar, A.,Chandler, N.J.,Davey, A.S.,Weinstein, J.Y.,Nguyen, J.V.,Trenker, R.,Jenkins, M.,Call, M.J.,Call, M.E.,Fleishman, S.J. De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release To Be Published 0 0 0 0 7K02 33794146 The crystal structure of a BAK dimer activated by detergent 2020-09-02 2021-03-31 Birkinshaw, R.W.,Iyer, S.,Lio, D.,Luo, C.S.,Brouwer, J.M.,Miller, M.S.,Robin, A.Y.,Uren, R.T.,Dewson, G.,Kluck, R.M.,Colman, P.M.,Czabotar, P.E. Structure of detergent-activated BAK dimers derived from the inert monomer. Mol.Cell 2021 81 2123 0 7LL3 34977903 S-adenosylmethionine synthetase co-crystallized with UppNHp 2021-02-03 2021-03-31 Gade, M.,Tan, L.L.,Damry, A.M.,Sandhu, M.,Brock, J.S.,Delaney, A.,Villar-Briones, A.,Jackson, C.J.,Laurino, P. Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. Jacs Au 2021 1 2349 2360 7LNN 34977903 E. coli S-adenosyl methionine transferase co-crystallized with guanosine-5'-imidotriphosphate 2021-02-08 2021-03-31 Gade, M.,Tan, L.L.,Damry, A.M.,Sandhu, M.,Brock, J.S.,Delaney, A.,Villar-Briones, A.,Jackson, C.J.,Laurino, P. Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. Jacs Au 2021 1 2349 2360 7LO2 34977903 S-adenosylmethionine synthetase cocrystallized with CTP 2021-02-09 2021-03-31 Gade, M.,Tan, L.L.,Damry, A.M.,Sandhu, M.,Brock, J.S.,Delaney, A.,Villar-Briones, A.,Jackson, C.J.,Laurino, P. Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. Jacs Au 2021 1 2349 2360 7LO4 SARS-CoV-2 spike receptor-binding domain with a G485R mutation in complex with human ACE2 2021-02-09 2021-03-31 Weekley, C.M.,Purcell, D.F.J.,Parker, M.W. SARS-CoV-2 Spike receptor-binding domain with a G485R mutation in complex with human ACE2 Biorxiv 2021 0 0 0 7LOW 34977903 S-adenosylmethionine synthetase 2021-02-10 2021-03-31 Gade, M.,Tan, L.L.,Damry, A.M.,Sandhu, M.,Brock, J.S.,Delaney, A.,Villar-Briones, A.,Jackson, C.J.,Laurino, P. Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. Jacs Au 2021 1 2349 2360 7LOZ 34977903 S-adenosylmethionine synthetase 2021-02-11 2021-03-31 Gade, M.,Tan, L.L.,Damry, A.M.,Sandhu, M.,Brock, J.S.,Delaney, A.,Villar-Briones, A.,Jackson, C.J.,Laurino, P. Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases. Jacs Au 2021 1 2349 2360 6WAB Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in complex with galactose derivative 2020-03-25 2021-04-07 Go, R.M.,Kishor, C.,Blanchard, H. Crystal structure of human galectin-4 C-terminal carbohydrate recognition domain in complex with galactose derivative To Be Published 0 0 0 0 7KWT 33756056 X-ray Crystal Structure of PlyCB Mutant Y28H 2020-12-02 2021-04-07 Broendum, S.S.,Williams, D.E.,Hayes, B.K.,Kraus, F.,Fodor, J.,Clifton, B.E.,Geert Volbeda, A.,Codee, J.D.C.,Riley, B.T.,Drinkwater, N.,Farrow, K.A.,Tsyganov, K.,Heselpoth, R.D.,Nelson, D.C.,Jackson, C.J.,Buckle, A.M.,McGowan, S. High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol. 2021 116 397 415 7KWW 33756056 X-ray Crystal Structure of PlyCB Mutant K59H 2020-12-02 2021-04-07 Broendum, S.S.,Williams, D.E.,Hayes, B.K.,Kraus, F.,Fodor, J.,Clifton, B.E.,Geert Volbeda, A.,Codee, J.D.C.,Riley, B.T.,Drinkwater, N.,Farrow, K.A.,Tsyganov, K.,Heselpoth, R.D.,Nelson, D.C.,Jackson, C.J.,Buckle, A.M.,McGowan, S. High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol. 2021 116 397 415 7KWY 33756056 X-ray Crystal Structure of PlyCB Mutant R66K 2020-12-02 2021-04-07 Broendum, S.S.,Williams, D.E.,Hayes, B.K.,Kraus, F.,Fodor, J.,Clifton, B.E.,Geert Volbeda, A.,Codee, J.D.C.,Riley, B.T.,Drinkwater, N.,Farrow, K.A.,Tsyganov, K.,Heselpoth, R.D.,Nelson, D.C.,Jackson, C.J.,Buckle, A.M.,McGowan, S. High avidity drives the interaction between the streptococcal C1 phage endolysin, PlyC, with the cell surface carbohydrates of Group A Streptococcus. Mol.Microbiol. 2021 116 397 415 7DOC 34055219 Crystal structure of Zika NS2B-NS3 protease with compound 5 2020-12-14 2021-04-14 Patil, N.A.,Quek, J.P.,Schroeder, B.,Morewood, R.,Rademann, J.,Luo, D.,Nitsche, C. 2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease. Acs Med.Chem.Lett. 2021 12 732 737 7JYU 34006841 Crystal Structure of HLA-A*2402 in complex with IYFSPIRVTF, an 10-mer epitope from Influenza B virus 2020-09-01 2021-04-14 Hensen, L.,Illing, P.T.,Bridie Clemens, E.,Nguyen, T.H.O.,Koutsakos, M.,van de Sandt, C.E.,Mifsud, N.A.,Nguyen, A.T.,Szeto, C.,Chua, B.Y.,Halim, H.,Rizzetto, S.,Luciani, F.,Loh, L.,Grant, E.J.,Saunders, P.M.,Brooks, A.G.,Rockman, S.,Kotsimbos, T.C.,Cheng, A.C.,Richards, M.,Westall, G.P.,Wakim, L.M.,Loudovaris, T.,Mannering, S.I.,Elliott, M.,Tangye, S.G.,Jackson, D.C.,Flanagan, K.L.,Rossjohn, J.,Gras, S.,Davies, J.,Miller, A.,Tong, S.Y.C.,Purcell, A.W.,Kedzierska, K. CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun 2021 12 2931 2931 7JYX 34006841 Crystal Structure of HLA A*2402 in complex with TYQWIIRNWET, an 11-mer epitope from Influenza 2020-09-01 2021-04-14 Hensen, L.,Illing, P.T.,Bridie Clemens, E.,Nguyen, T.H.O.,Koutsakos, M.,van de Sandt, C.E.,Mifsud, N.A.,Nguyen, A.T.,Szeto, C.,Chua, B.Y.,Halim, H.,Rizzetto, S.,Luciani, F.,Loh, L.,Grant, E.J.,Saunders, P.M.,Brooks, A.G.,Rockman, S.,Kotsimbos, T.C.,Cheng, A.C.,Richards, M.,Westall, G.P.,Wakim, L.M.,Loudovaris, T.,Mannering, S.I.,Elliott, M.,Tangye, S.G.,Jackson, D.C.,Flanagan, K.L.,Rossjohn, J.,Gras, S.,Davies, J.,Miller, A.,Tong, S.Y.C.,Purcell, A.W.,Kedzierska, K. CD8 + T cell landscape in Indigenous and non-Indigenous people restricted by influenza mortality-associated HLA-A*24:02 allomorph. Nat Commun 2021 12 2931 2931 6WGZ Crystal structure of HyBcl-2-4 with HyBak1 BH3 2020-04-07 2021-04-21 Banjara, S.,Sa, J.D.,Hinds, M.G.,Kvansakul, M. Crystal structures of HyBcl-2-4 with HyBak1 BH3 and HyBax BH3 To Be Published 0 0 0 0 6WKB Human S-adenosylmethionine synthetase co-crystallized with UppNHp and Met 2020-04-15 2021-04-21 Laurino, P.,Jackson, C.J.,Tan, L.L. S-adenosylmethionine synthetase To Be Published 0 0 0 0 6XD4 32994330 CDC-like protein 2020-06-09 2021-04-21 Evans, J.C.,Johnstone, B.A.,Lawrence, S.L.,Morton, C.J.,Christie, M.P.,Parker, M.W.,Tweten, R.K. A Key Motif in the Cholesterol-Dependent Cytolysins Reveals a Large Family of Related Proteins. Mbio 2020 11 0 0 6XD4 32994330 CDC-like protein 2020-06-09 2021-04-21 Evans, J.C.,Johnstone, B.A.,Lawrence, S.L.,Morton, C.J.,Christie, M.P.,Parker, M.W.,Tweten, R.K. A Key Motif in the Cholesterol-Dependent Cytolysins Reveals a Large Family of Related Proteins. Mbio 2020 11 0 0 7JVE 33607928 Crystal structure of Salmonella enterica Typhimurium BcfH 2020-08-21 2021-04-21 Subedi, P.,Paxman, J.J.,Wang, G.,Hor, L.,Hong, Y.,Verderosa, A.D.,Whitten, A.E.,Panjikar, S.,Santos-Martin, C.F.,Martin, J.L.,Totsika, M.,Heras, B. Salmonella enterica BcfH Is a Trimeric Thioredoxin-Like Bifunctional Enzyme with Both Thiol Oxidase and Disulfide Isomerase Activities. Antioxid.Redox Signal. 2021 35 21 39 7L5I 33887324 Crystal Structure of Haemophilus influenzae MtsZ at pH 7.0 2020-12-22 2021-04-21 Struwe, M.A.,Kalimuthu, P.,Luo, Z.,Zhong, Q.,Ellis, D.,Yang, J.,Khadanand, K.C.,Harmer, J.R.,Kirk, M.L.,McEwan, A.G.,Clement, B.,Bernhardt, P.V.,Kobe, B.,Kappler, U. Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes. J.Biol.Chem. 2021 296 100672 100672 7LGD 33945786 HLA-B*07:02 in complex with SARS-CoV-2 nucleocapsid peptide N105-113 2021-01-20 2021-04-21 Lineburg, K.E.,Grant, E.J.,Swaminathan, S.,Chatzileontiadou, D.S.M.,Szeto, C.,Sloane, H.,Panikkar, A.,Raju, J.,Crooks, P.,Rehan, S.,Nguyen, A.T.,Lekieffre, L.,Neller, M.A.,Tong, Z.W.M.,Jayasinghe, D.,Chew, K.Y.,Lobos, C.A.,Halim, H.,Burrows, J.M.,Riboldi-Tunnicliffe, A.,Chen, W.,D'Orsogna, L.,Khanna, R.,Short, K.R.,Smith, C.,Gras, S. CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses. Immunity 2021 54 1055 0 7LGT 33945786 HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83 2021-01-21 2021-04-21 Lineburg, K.E.,Grant, E.J.,Swaminathan, S.,Chatzileontiadou, D.S.M.,Szeto, C.,Sloane, H.,Panikkar, A.,Raju, J.,Crooks, P.,Rehan, S.,Nguyen, A.T.,Lekieffre, L.,Neller, M.A.,Tong, Z.W.M.,Jayasinghe, D.,Chew, K.Y.,Lobos, C.A.,Halim, H.,Burrows, J.M.,Riboldi-Tunnicliffe, A.,Chen, W.,D'Orsogna, L.,Khanna, R.,Short, K.R.,Smith, C.,Gras, S. CD8 + T cells specific for an immunodominant SARS-CoV-2 nucleocapsid epitope cross-react with selective seasonal coronaviruses. Immunity 2021 54 1055 0 7LWC Goat beta-lactoglobulin mutant Q59A 2021-02-28 2021-04-21 Munoz, D.A. Engineering food proteins for improved digestibility and lower allergenicity: a case study using caprine beta-lactoglobulin To Be Published 0 0 0 0 6WM8 Proliferation-Associated protein 2G4 (PA2G4) 2020-04-20 2021-04-28 Gorman, M.A.,Stevenson, B.W.,Parker, M.W. PA2G4: A Structural Perspective To Be Published 0 0 0 0 6WMZ Crystal structure of human SFPQ/NONO complex 2020-04-22 2021-04-28 Lee, M.,Bond, C.S. Structure analysis of human SFPQ/NONO complex To Be Published 0 0 0 0 7JRB 33843991 Phospholipase D engineered mutant 2020-08-12 2021-04-28 Samantha, A.,Damnjanovic, J.,Iwasaki, Y.,Nakano, H.,Vrielink, A. Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation. Biochem.J. 2021 478 1749 1767 7JS5 33843991 Phospholipase D engineered mutant (TNYR) inactive enzyme (H168A) bound to 1-inositol phosphate 2020-08-13 2021-04-28 Samantha, A.,Damnjanovic, J.,Iwasaki, Y.,Nakano, H.,Vrielink, A. Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation. Biochem.J. 2021 478 1749 1767 7JS7 33843991 Phospholipase D engineered mutant (TNYR) H442 covalent adduct with 1-inositol phosphate 2020-08-13 2021-04-28 Samantha, A.,Damnjanovic, J.,Iwasaki, Y.,Nakano, H.,Vrielink, A. Structures of an engineered phospholipase D with specificity for secondary alcohol transphosphatidylation: insights into plasticity of substrate binding and activation. Biochem.J. 2021 478 1749 1767 7KH5 33949976 Hen Egg White Lysozyme in complex with tetrabromoterephthalic acid 2020-10-20 2021-04-28 Truong, J.Q.,Nguyen, S.,Bruning, J.B.,Shearwin, K.E. Simplified heavy-atom derivatization of protein structures via co-crystallization with the MAD tetragon tetrabromoterephthalic acid. Acta Crystallogr.,Sect.F 2021 77 156 162 7KH5 33949976 Hen Egg White Lysozyme in complex with tetrabromoterephthalic acid 2020-10-20 2021-04-28 Truong, J.Q.,Nguyen, S.,Bruning, J.B.,Shearwin, K.E. Simplified heavy-atom derivatization of protein structures via co-crystallization with the MAD tetragon tetrabromoterephthalic acid. Acta Crystallogr.,Sect.F 2021 77 156 162 6UVC 33904752 Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid 2019-11-02 2021-05-05 Roy, M.J.,Vom, A.,Okamoto, T.,Smith, B.J.,Birkinshaw, R.W.,Yang, H.,Abdo, H.,White, C.A.,Segal, D.,Huang, D.C.S.,Baell, J.B.,Colman, P.M.,Czabotar, P.E.,Lessene, G. Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem. 2021 64 5447 5469 6UVE 33904752 Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid 2019-11-02 2021-05-05 Roy, M.J.,Vom, A.,Okamoto, T.,Smith, B.J.,Birkinshaw, R.W.,Yang, H.,Abdo, H.,White, C.A.,Segal, D.,Huang, D.C.S.,Baell, J.B.,Colman, P.M.,Czabotar, P.E.,Lessene, G. Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem. 2021 64 5447 5469 6UVF 33904752 Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid 2019-11-02 2021-05-05 Roy, M.J.,Vom, A.,Okamoto, T.,Smith, B.J.,Birkinshaw, R.W.,Yang, H.,Abdo, H.,White, C.A.,Segal, D.,Huang, D.C.S.,Baell, J.B.,Colman, P.M.,Czabotar, P.E.,Lessene, G. Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. 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The stem rust effector protein AvrSr50 escapes Sr50 recognition by a substitution in a single surface-exposed residue. New Phytol. 2022 234 592 606 7VW5 35037043 Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold 2021-11-09 2022-02-16 Tan, Y.B.,Lello, L.S.,Liu, X.,Law, Y.S.,Kang, C.,Lescar, J.,Zheng, J.,Merits, A.,Luo, D. Crystal structures of alphavirus nonstructural protein 4 (nsP4) reveal an intrinsically dynamic RNA-dependent RNA polymerase fold. Nucleic Acids Res. 2022 50 1000 1016 7LQP Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening 2021-02-15 2022-02-23 Gorman, M.A.,Parker, M.W. Rapid development of potent inhibitors of the HIV integrase-LEDGF interaction by fragment-linking using off-rate screening To Be Published 0 0 0 0 7RHT 35013395 Importin alpha 7 delta IBB (KPNA6) 2021-07-18 2022-02-23 Tsimbalyuk, S.,Donnelly, C.M.,Forwood, J.K. Structural characterization of human importin alpha 7 in its cargo-free form at 2.5 angstrom resolution. Sci Rep 2022 12 315 315 7S8Q 35255101 Crystal Structure of HLA A*1101 in complex with KTNGNAFIGK, an 10-mer epitope from Influenza B 2021-09-19 2022-02-23 Habel, J.R.,Nguyen, A.T.,Rowntree, L.C.,Szeto, C.,Mifsud, N.A.,Clemens, E.B.,Loh, L.,Chen, W.,Rockman, S.,Nelson, J.,Davies, J.,Miller, A.,Tong, S.Y.C.,Rossjohn, J.,Gras, S.,Purcell, A.W.,Hensen, L.,Kedzierska, K.,Illing, P.T. HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people. Plos Pathog. 2022 18 0 0 7S8R 35255101 Crystal Structure of HLA A*1101 in complex with SALEWIKNK, an 9-mer epitope from Influenza B 2021-09-19 2022-02-23 Habel, J.R.,Nguyen, A.T.,Rowntree, L.C.,Szeto, C.,Mifsud, N.A.,Clemens, E.B.,Loh, L.,Chen, W.,Rockman, S.,Nelson, J.,Davies, J.,Miller, A.,Tong, S.Y.C.,Rossjohn, J.,Gras, S.,Purcell, A.W.,Hensen, L.,Kedzierska, K.,Illing, P.T. HLA-A*11:01-restricted CD8+ T cell immunity against influenza A and influenza B viruses in Indigenous and non-Indigenous people. Plos Pathog. 2022 18 0 0 7S8S 35255101 Crystal Structure of HLA A*1101 in complex with RVLVNGTFLK, an 10-mer epitope from Influenza B 2021-09-19 2022-02-23 Habel, J.R.,Nguyen, A.T.,Rowntree, L.C.,Szeto, C.,Mifsud, N.A.,Clemens, E.B.,Loh, L.,Chen, W.,Rockman, S.,Nelson, J.,Davies, J.,Miller, A.,Tong, S.Y.C.,Rossjohn, J.,Gras, S.,Purcell, A.W.,Hensen, L.,Kedzierska, K.,Illing, P.T. 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Angew.Chem.Int.Ed.Engl. 2022 61 0 0 7RG8 35382258 Crystal Structure of a Stable Heparanase Mutant 2021-07-14 2022-03-02 Whitefield, C.,Hong, N.,Mitchell, J.A.,Jackson, C.J. Computational design and experimental characterisation of a stable human heparanase variant. Rsc Chem Biol 2022 3 341 349 7RGV 35234148 Structure of Caulobacter crescentus Suppressor of copper sensitivity protein C 2021-07-15 2022-03-02 Petit, G.A.,Hong, Y.,Djoko, K.Y.,Whitten, A.E.,Furlong, E.J.,McCoy, A.J.,Gulbis, J.M.,Totsika, M.,Martin, J.L.,Halili, M.A. The suppressor of copper sensitivity protein C from Caulobacter crescentus is a trimeric disulfide isomerase that binds copper(I) with subpicomolar affinity. Acta Crystallogr D Struct Biol 2022 78 337 352 7RT9 35180645 Crystal structures of human PYY and NPY 2021-08-12 2022-03-02 Langley, D.B.,Schofield, P.,Jackson, J.,Herzog, H.,Christ, D. Crystal structures of human neuropeptide Y (NPY) and peptide YY (PYY). 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Proc.Natl.Acad.Sci.USA 2022 119 0 0 7NAG 35334231 Crystal structure of the TIR domain from human SARM1 in complex with 1AD 2021-06-21 2022-03-23 Shi, Y.,Kerry, P.S.,Nanson, J.D.,Bosanac, T.,Sasaki, Y.,Krauss, R.,Saikot, F.K.,Adams, S.E.,Mosaiab, T.,Masic, V.,Mao, X.,Rose, F.,Vasquez, E.,Furrer, M.,Cunnea, K.,Brearley, A.,Gu, W.,Luo, Z.,Brillault, L.,Landsberg, M.J.,DiAntonio, A.,Kobe, B.,Milbrandt, J.,Hughes, R.O.,Ve, T. Structural basis of SARM1 activation, substrate recognition, and inhibition by small molecules. Mol.Cell 2022 82 1643 0 7NAH 35334231 Crystal structure of the TIR domain from human SARM1 in complex with 2AD 2021-06-21 2022-03-23 Shi, Y.,Kerry, P.S.,Nanson, J.D.,Bosanac, T.,Sasaki, Y.,Krauss, R.,Saikot, F.K.,Adams, S.E.,Mosaiab, T.,Masic, V.,Mao, X.,Rose, F.,Vasquez, E.,Furrer, M.,Cunnea, K.,Brearley, A.,Gu, W.,Luo, Z.,Brillault, L.,Landsberg, M.J.,DiAntonio, A.,Kobe, B.,Milbrandt, J.,Hughes, R.O.,Ve, T. 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Nat Commun 2022 13 4951 4951 7N5C 35999236 6218 TCR in complex with H2Db PA with an engineered TCR-pMHC disulfide bond 2021-06-05 2022-07-20 Szeto, C.,Zareie, P.,Wirasinha, R.C.,Zhang, J.B.,Nguyen, A.T.,Riboldi-Tunnicliffe, A.,La Gruta, N.L.,Gras, S.,Daley, S.R. Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus. Nat Commun 2022 13 4951 4951 7N5P 35999236 6218 TCR in complex with H2-Db PA224-233 with a cysteine mutant 2021-06-06 2022-07-20 Szeto, C.,Zareie, P.,Wirasinha, R.C.,Zhang, J.B.,Nguyen, A.T.,Riboldi-Tunnicliffe, A.,La Gruta, N.L.,Gras, S.,Daley, S.R. Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus. Nat Commun 2022 13 4951 4951 7N5Q 35999236 Peptide-MHC complex of mouse H2-Db presenting PA224 with E4C mutation 2021-06-06 2022-07-20 Szeto, C.,Zareie, P.,Wirasinha, R.C.,Zhang, J.B.,Nguyen, A.T.,Riboldi-Tunnicliffe, A.,La Gruta, N.L.,Gras, S.,Daley, S.R. Covalent TCR-peptide-MHC interactions induce T cell activation and redirect T cell fate in the thymus. Nat Commun 2022 13 4951 4951 7P33 36298777 Epstein-Barr virus encoded Bcl-2 homolog BHRF-1 in complex with Bid BH3 peptide 2021-07-07 2022-07-20 Suraweera, C.D.,Hinds, M.G.,Kvansakul, M. Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides. Viruses 2022 14 0 0 7RGC Crystal structure of triosephosphate isomerase from Candidatus Absconditabacteria (Sr1) bacterium 2021-07-15 2022-07-20 Vickers, C.J.,Fraga, D.,Compton, J.,Patrick, W.M. Structure of Sr1TPI - Candidatus Absconditabacteria bacterium triosephoshate isomerase To Be Published 0 0 0 0 7RDV TFH TCR bound to MHC Class II IAd presenting aggrecan epitope 2021-07-11 2022-07-27 Lim, J.J.,Rossjohn, J.,Reid, H. TFH TCR bound to MHC Class II IAd presenting aggrecan epitope To Be Published 0 0 0 0 7RK5 Mannitol-2-dehydrogenase bound to NADH from Aspergillus fumigatus 2021-07-22 2022-07-27 Nguyen, S.,Jovcevski, B.,Pukala, T.L.,Bruning, J.B. Targeting the Mannitol Biosynthesis Pathway in Aspergillus fumigatus: Characterisation and Inhibition of Mannitol-2-Dehydrogenase To Be Published 0 0 0 0 7XTP 35982046 eIF4E in Complex with a Disulphide-Free Autonomous VH Domain 2022-05-17 2022-07-27 Frosi, Y.,Lin, Y.C.,Shimin, J.,Ramlan, S.R.,Hew, K.,Engman, A.H.,Pillai, A.,Yeung, K.,Cheng, Y.X.,Cornvik, T.,Nordlund, P.,Goh, M.,Lama, D.,Gates, Z.P.,Verma, C.S.,Thean, D.,Lane, D.P.,Asial, I.,Brown, C.J. Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex. Nat Commun 2022 13 4854 4854 7UMG 36018322 Crystal structure of human CD8aa-MR1-Ac-6-FP complex 2022-04-06 2022-08-03 Souter, M.N.T.,Awad, W.,Li, S.,Pediongco, T.J.,Meehan, B.S.,Meehan, L.J.,Tian, Z.,Zhao, Z.,Wang, H.,Nelson, A.,Le Nours, J.,Khandokar, Y.,Praveena, T.,Wubben, J.,Lin, J.,Sullivan, L.C.,Lovrecz, G.O.,Mak, J.Y.W.,Liu, L.,Kostenko, L.,Kedzierska, K.,Corbett, A.J.,Fairlie, D.P.,Brooks, A.G.,Gherardin, N.A.,Uldrich, A.P.,Chen, Z.,Rossjohn, J.,Godfrey, D.I.,McCluskey, J.,Pellicci, D.G.,Eckle, S.B.G. CD8 coreceptor engagement of MR1 enhances antigen responsiveness by human MAIT and other MR1-reactive T cells. J.Exp.Med. 2022 219 0 0 7VKE 35867844 Crystal structure of human CD38 ECD in complex with UniDab(TM) F11A 2021-09-29 2022-08-03 Ugamraj, H.S.,Dang, K.,Ouisse, L.H.,Buelow, B.,Chini, E.N.,Castello, G.,Allison, J.,Clarke, S.C.,Davison, L.M.,Buelow, R.,Deng, R.,Iyer, S.,Schellenberger, U.,Manika, S.N.,Bijpuria, S.,Musnier, A.,Poupon, A.,Cuturi, M.C.,van Schooten, W.,Dalvi, P. TNB-738, a biparatopic antibody, boosts intracellular NAD+ by inhibiting CD38 ecto-enzyme activity. Mabs 2022 14 2095949 2095949 7P9W 36298777 Epstein-Barr virus encoded apoptosis regulator BHRF1 in complex with Puma BH3 2021-07-28 2022-08-10 Suraweera, C.D.,Hinds, M.G.,Kvansakul, M. Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides. Viruses 2022 14 0 0 7P9W 36298777 Epstein-Barr virus encoded apoptosis regulator BHRF1 in complex with Puma BH3 2021-07-28 2022-08-10 Suraweera, C.D.,Hinds, M.G.,Kvansakul, M. 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Nat.Struct.Mol.Biol. 2022 29 767 773 7VLH 35475620 Crystal structure of Zika NS2B-NS3 protease with compound MI2219 2021-10-02 2022-08-10 Huber, S.,Braun, N.J.,Schmacke, L.C.,Quek, J.P.,Murra, R.,Bender, D.,Hildt, E.,Luo, D.,Heine, A.,Steinmetzer, T. Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors. J.Med.Chem. 2022 65 6555 6572 8DW5 36364032 Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid 2022-07-31 2022-08-10 Cody, V.,Truong, J.Q.,Holdsworth, B.A.,Holien, J.K.,Richardson, S.J.,Chalmers, D.K.,Craik, D.J. Structural Analysis of the Complex of Human Transthyretin with 3',5'-Dichlorophenylanthranilic Acid at 1.5 angstrom Resolution. Molecules 2022 27 0 0 8DL4 S. CEREVISIAE CYP51 COMPLEXED WITH Courmarin-containing INHIBITOR 2022-07-06 2022-08-17 Benhamou, R.,Keniya, M.V.,Ruma, Y.N.,Fridman, M.,Tyndall, J.D.,Monk, B.C. S. 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Rna 2023 29 724 734 7QS9 35670457 Structural basis on the interaction of Scribble PDZ domains with the Tick Born encephalitis virus (TBEV) NS5 protein 2022-01-13 2022-08-31 Javorsky, A.,Humbert, P.O.,Kvansakul, M. Molecular basis of Tick Born encephalitis virus NS5 mediated subversion of apico-basal cell polarity signalling. Biochem.J. 2022 479 1303 1315 7QSA 35670457 Structural basis on the interaction of Scribble PDZ domains with the Tick Born encephalitis virus (TBEV) NS5 protein 2022-01-13 2022-08-31 Javorsky, A.,Humbert, P.O.,Kvansakul, M. Molecular basis of Tick Born encephalitis virus NS5 mediated subversion of apico-basal cell polarity signalling. Biochem.J. 2022 479 1303 1315 7QSB 35670457 Structural basis on the interaction of Scribble PDZ domains with the Tick Born encephalitis virus (TBEV) NS5 protein 2022-01-13 2022-08-31 Javorsky, A.,Humbert, P.O.,Kvansakul, M. 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Science 2022 377 0 0 7UXR 36048923 Crystal structure of the BtTir TIR domain 2022-05-06 2022-09-07 Manik, M.K.,Shi, Y.,Li, S.,Zaydman, M.A.,Damaraju, N.,Eastman, S.,Smith, T.G.,Gu, W.,Masic, V.,Mosaiab, T.,Weagley, J.S.,Hancock, S.J.,Vasquez, E.,Hartley-Tassell, L.,Kargios, N.,Maruta, N.,Lim, B.Y.J.,Burdett, H.,Landsberg, M.J.,Schembri, M.A.,Prokes, I.,Song, L.,Grant, M.,DiAntonio, A.,Nanson, J.D.,Guo, M.,Milbrandt, J.,Ve, T.,Kobe, B. Cyclic ADP ribose isomers: Production, chemical structures, and immune signaling. Science 2022 377 0 0 7UXS 36048923 Crystal structure of the BcThsA SLOG domain in complex with 3'cADPR 2022-05-06 2022-09-07 Manik, M.K.,Shi, Y.,Li, S.,Zaydman, M.A.,Damaraju, N.,Eastman, S.,Smith, T.G.,Gu, W.,Masic, V.,Mosaiab, T.,Weagley, J.S.,Hancock, S.J.,Vasquez, E.,Hartley-Tassell, L.,Kargios, N.,Maruta, N.,Lim, B.Y.J.,Burdett, H.,Landsberg, M.J.,Schembri, M.A.,Prokes, I.,Song, L.,Grant, M.,DiAntonio, A.,Nanson, J.D.,Guo, M.,Milbrandt, J.,Ve, T.,Kobe, B. 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Elife 2022 11 0 0 7SMZ 35881654 X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one 2021-10-27 2022-09-14 Ghith, A.,Doherty, D.Z.,Bruning, J.B.,Russell, R.A.,De Voss, J.J.,Bell, S.G. The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis. 2022 8 1606 1617 7TIN 36633276 The Structure of S. aureus MenD 2022-01-14 2022-09-14 Stanborough, T.,Ho, N.A.T.,Bulloch, E.M.M.,Bashiri, G.,Dawes, S.S.,Akazong, E.W.,Titterington, J.,Allison, T.M.,Jiao, W.,Johnston, J.M. Allosteric inhibition of Staphylococcus aureus MenD by 1,4-dihydroxy naphthoic acid: a feedback inhibition mechanism of the menaquinone biosynthesis pathway. 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Nat Commun 2022 13 5563 5563 8ECH Tick-borne encephalitis virus capsid protein NLS bound to host importin alpha 2 2022-09-02 2022-09-14 Selinger, M.,Novotny, R.,Sys, J.,Roby, J.A.,Tykalova, H.,Ranjani, G.S.,Vancova, M.,Jaklova, K.,Kaufman, F.,Bloom, M.E.,Zdrahal, Z.,Grubhoffer, L.,Forwood, J.K.,Hrabal, R.,Rumlova, M.,Sterba, J. Structure and biological functions of tick-borne encephalitis virus capsid protein To Be Published 0 0 0 0 7SA2 SARS-CoV-2 spike-derived peptide S1060-1068 (VVFLHVTYV) presented by HLA-A*02:01 2021-09-21 2022-09-21 Szeto, C.,Gras, S. SARS-CoV-2 spike-derived peptide S1060-1068 (VVFLHVTYV) presented by HLA-A*02:01 To Be Published 0 0 0 0 8CRU 35951410 PETase Ancestral Sequence Reconstruction 008 2022-05-11 2022-09-21 Joho, Y.,Vongsouthi, V.,Spence, M.A.,Ton, J.,Gomez, C.,Tan, L.L.,Kaczmarski, J.A.,Caputo, A.T.,Royan, S.,Jackson, C.J.,Ardevol, A. Ancestral Sequence Reconstruction Identifies Structural Changes Underlying the Evolution of Ideonella sakaiensis PETase and Variants with Improved Stability and Activity. Biochemistry 2023 62 437 450 8D1D PROSS PETase 2022-05-27 2022-09-21 Vongsouthi, V.,Jackson, C.J.,Tan, L. PROSS PETase To Be Published 0 0 0 0 7SH5 35881654 Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one 2021-10-08 2022-10-05 Ghith, A.,Doherty, D.Z.,Bruning, J.B.,Russell, R.A.,De Voss, J.J.,Bell, S.G. The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis. 2022 8 1606 1617 8DGL 36189741 Crystal Structure of the RdfS Excisionase 2022-06-24 2022-10-05 Verdonk, C.J.,Marshall, A.C.,Ramsay, J.P.,Bond, C.S. Crystallographic and X-ray scattering study of RdfS, a recombination directionality factor from an integrative and conjugative element. Acta Crystallogr D Struct Biol 2022 78 1210 1220 7SHJ 35303613 Crystal structure of Acinetobacter baumannii ZnuA in the metal-free state 2021-10-09 2022-10-12 Alquethamy, S.,Ganio, K.,Luo, Z.,Hossain, S.I.,Hayes, A.J.,Ve, T.,Davies, M.R.,Deplazes, E.,Kobe, B.,McDevitt, C.A. Structural and biochemical characterization of Acinetobacter baumannii ZnuA. J.Inorg.Biochem. 2022 231 111787 111787 7SP0 36168806 Crystal structure of human SFPQ L534I mutant in complex with zinc 2021-11-01 2022-10-12 Widagdo, J.,Udagedara, S.,Bhembre, N.,Tan, J.Z.A.,Neureiter, L.,Huang, J.,Anggono, V.,Lee, M. Familial ALS-associated SFPQ variants promote the formation of SFPQ cytoplasmic aggregates in primary neurons. Open Biology 2022 12 220187 220187 7TLT 36302758 SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02 2022-01-18 2022-10-12 Swaminathan, S.,Lineburg, K.E.,Panikkar, A.,Raju, J.,Murdolo, L.D.,Szeto, C.,Crooks, P.,Le Texier, L.,Rehan, S.,Dewar-Oldis, M.J.,Barnard, P.J.,Ambalathingal, G.R.,Neller, M.A.,Short, K.R.,Gras, S.,Khanna, R.,Smith, C. Ablation of CD8 + T cell recognition of an immunodominant epitope in SARS-CoV-2 Omicron variants BA.1, BA.2 and BA.3. Nat Commun 2022 13 6387 6387 7TZI 36178458 Structure of a pseudomurein peptide ligase type E from Methanothermobacter thermautotrophicus 2022-02-15 2022-10-12 Subedi, B.P.,Schofield, L.R.,Carbone, V.,Wolf, M.,Martin, W.F.,Ronimus, R.S.,Sutherland-Smith, A.J. Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases. Microbiology (Reading, Engl.) 2022 168 0 0 7UC5 Crystal Structure of HLA A*0301 in complex with ILRGSVAHK, a 9-mer epitope from Influenza A 2022-03-16 2022-10-12 Nguyen, A.T.,Lau, H.M.P.,Sloane, H.,Jayasinghe, D.,Mifsud, N.A.,Chatzileontiadou, D.S.M.,Grant, E.J.,Szeto, C.,Gras, S. CD8+ T cells cross-recognise conserved influenza A and B homologous epitopes to be published 0 0 0 0 7UFP 36178458 Structure of a pseudomurein peptide ligase type E from Methanothermus fervidus 2022-03-23 2022-10-12 Subedi, B.P.,Schofield, L.R.,Carbone, V.,Wolf, M.,Martin, W.F.,Ronimus, R.S.,Sutherland-Smith, A.J. Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases. Microbiology (Reading, Engl.) 2022 168 0 0 7TBA 36468184 Pentraxin - ligand complex 2021-12-21 2022-10-19 Zeller, J.,Cheung Tung Shing, K.S.,Nero, T.L.,McFadyen, J.D.,Krippner, G.,Bogner, B.,Kreuzaler, S.,Kiefer, J.,Horner, V.K.,Braig, D.,Danish, H.,Baratchi, S.,Fricke, M.,Wang, X.,Kather, M.G.,Kammerer, B.,Woollard, K.J.,Sharma, P.,Morton, C.J.,Pietersz, G.,Parker, M.W.,Peter, K.,Eisenhardt, S.U. A novel phosphocholine-mimetic inhibits a pro-inflammatory conformational change in C-reactive protein. Embo Mol Med 2023 15 0 0 7SKJ Crystal structure of chloroplast triosephosphate isomerase from Cuscuta australis 2021-10-20 2022-10-26 Jones, G.,Vickers, C.,Patrick, W. Crystal structure of chloroplast triosephosphate isomerase from Cuscuta australis To Be Published 0 0 0 0 7T2Q 36371402 PEGylated Calmodulin-1 (K148U) 2021-12-06 2022-10-26 Dowman, L.J.,Kulkarni, S.S.,Alegre-Requena, J.V.,Giltrap, A.M.,Norman, A.R.,Sharma, A.,Gallegos, L.C.,Mackay, A.S.,Welegedara, A.P.,Watson, E.E.,van Raad, D.,Niederacher, G.,Huhmann, S.,Proschogo, N.,Patel, K.,Larance, M.,Becker, C.F.W.,Mackay, J.P.,Lakhwani, G.,Huber, T.,Paton, R.S.,Payne, R.J. Site-selective photocatalytic functionalization of peptides and proteins at selenocysteine. Nat Commun 2022 13 6885 6885 7RML 37165541 Neisseria meningitidis Methylenetetrahydrofolate reductase in complex with FAD 2021-07-27 2022-11-02 Pantong, W.,Pederick, J.L.,Maenpuen, S.,Tinikul, R.,Jayapalan, J.J.,Jovcevski, B.,Wegener, K.L.,Bruning, J.B.,Salaemae, W. Biochemical and structural characterization of meningococcal methylenetetrahydrofolate reductase. Protein Sci. 2023 32 0 0 8EH2 Short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii 2022-09-13 2022-11-16 Forwood, J.K. Short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii To Be Published 0 0 0 0 7QTW 35458468 Kaposi sarcoma associated herpes virus(KSHV) encoded apoptosis inhibitor, KsBcl-2 in complex with Bid BH3 2022-01-17 2022-11-23 Suraweera, C.D.,Hinds, M.G.,Kvansakul, M. Structural Insight into KsBcl-2 Mediated Apoptosis Inhibition by Kaposi Sarcoma Associated Herpes Virus. Viruses 2022 14 0 0 7QTX 35458468 Kaposi sarcoma associated herpes virus (KSHV) encoded apoptosis inhibitor, KsBcl-2 in complex with Puma BH3 2022-01-17 2022-11-23 Suraweera, C.D.,Hinds, M.G.,Kvansakul, M. Structural Insight into KsBcl-2 Mediated Apoptosis Inhibition by Kaposi Sarcoma Associated Herpes Virus. Viruses 2022 14 0 0 7SIF Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I 2021-10-14 2022-11-23 Lobos, C.A.,Chatzileontiadou, D.S.M.,Sok, B.,Almedia, C.,Halim, H.,D'Orsogna, L.,Gras, S. Molecular insights into the HLA-B35 molecules Px and Py group classification associated with HIV control to be published 0 0 0 0 7SIG Crystal Structure of HLA B*3501 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I 2021-10-14 2022-11-23 Lobos, C.A.,Chatzileontiadou, D.S.M.,Sok, B.,Almedia, C.,Halim, H.,D'Orsogna, L.,Gras, S. Molecular insights into the HLA-B35 molecules Px and Py group classification associated with HIV control to be published 0 0 0 0 7SIH Crystal Structure of HLA B*3503 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I 2021-10-14 2022-11-23 Lobos, C.A.,Chatzileontiadou, D.S.M.,Sok, B.,Almedia, C.,Halim, H.,D'Orsogna, L.,Gras, S. Molecular insights into the HLA-B35 molecules Px and Py group classification associated with HIV control to be published 0 0 0 0 7SIS SARS-CoV-2 Spike-derived peptide S976-984 (VLNDILSRL) presented by HLA-A*02:01 2021-10-14 2022-11-23 Szeto, C.,Gras, S. SARS-CoV-2 Spike-derived peptide S976-984 (VLNDILSRL) presented by HLA-A*02:01 To Be Published 0 0 0 0 7UNY 36396942 Crystal structure of D2 nanobody in complex with PfCSS 2022-04-12 2022-11-23 Scally, S.W.,Triglia, T.,Evelyn, C.,Seager, B.A.,Pasternak, M.,Lim, P.S.,Healer, J.,Geoghegan, N.D.,Adair, A.,Tham, W.H.,Dagley, L.F.,Rogers, K.L.,Cowman, A.F. PCRCR complex is essential for invasion of human erythrocytes by Plasmodium falciparum. Nat Microbiol 2022 7 2039 2053 7UNZ 36396942 Crystal structure of H2 nanobody in complex with PfCSS 2022-04-12 2022-11-23 Scally, S.W.,Triglia, T.,Evelyn, C.,Seager, B.A.,Pasternak, M.,Lim, P.S.,Healer, J.,Geoghegan, N.D.,Adair, A.,Tham, W.H.,Dagley, L.F.,Rogers, K.L.,Cowman, A.F. PCRCR complex is essential for invasion of human erythrocytes by Plasmodium falciparum. Nat Microbiol 2022 7 2039 2053 8ENI 29131575 Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor 2022-09-30 2022-11-30 Paparella, A.S.,Lee, K.J.,Hayes, A.J.,Feng, J.,Feng, Z.,Cini, D.,Deshmukh, S.,Booker, G.W.,Wilce, M.C.J.,Polyak, S.W.,Abell, A.D. Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus. ACS Infect Dis 2018 4 175 184 7T0L HLA-B*27:05 in complex with the pan-HLA-Ia monoclonal antibody W6/32 2021-11-29 2022-12-07 Vivian, J.P. HLA-B*27:05 in complex with the pan-HLA-Ia monoclonal antibody W6/32 To Be Published 0 0 0 0 7T6I 36442096 Crystal structure of HLA-DP1 in complex with pp65 peptide in reverse orientation 2021-12-13 2022-12-07 Klobuch, S.,Lim, J.J.,van Balen, P.,Kester, M.G.D.,de Klerk, W.,de Ru, A.H.,Pothast, C.R.,Jedema, I.,Drijfhout, J.W.,Rossjohn, J.,Reid, H.H.,van Veelen, P.A.,Falkenburg, J.H.F.,Heemskerk, M.H.M. Human T cells recognize HLA-DP-bound peptides in two orientations. Proc.Natl.Acad.Sci.USA 2022 119 0 0 8CXD 36760747 Crystal Structure of EcDsbA in a complex with phenylmethanol 2022-05-20 2022-12-07 Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem 2023 14 135 143 8CXE 36760747 Crystal Structure of EcDsbA in a complex with 1H-imidazole 2022-05-20 2022-12-07 Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem 2023 14 135 143 8CZM 36760747 Crystal Structure of EcDsbA in a complex with 4-bromo-1H-pyrazole 2022-05-25 2022-12-07 Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem 2023 14 135 143 8CZN 36760747 Crystal Structure of EcDsbA in a complex with 1H-pyrrole-3-carboxylic acid 2022-05-25 2022-12-07 Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem 2023 14 135 143 8D10 36760747 Crystal Structure of EcDsbA in a complex with (1-methyl-1H-pyrazol-5-yl)methanamine 2022-05-26 2022-12-07 Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem 2023 14 135 143 8D11 36760747 Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-5-amine 2022-05-26 2022-12-07 Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem 2023 14 135 143 8D12 36760747 Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-4-amine 2022-05-26 2022-12-07 Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem 2023 14 135 143 8DG0 36760747 Crystal Structure of EcDsbA in a complex with Urea 2022-06-23 2022-12-07 Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem 2023 14 135 143 8DG1 36760747 Crystal Structure of EcDsbA in a complex with DMSO 2022-06-23 2022-12-07 Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem 2023 14 135 143 8DG2 36760747 Crystal Structure of EcDsbA in a complex with DMSO 2022-06-23 2022-12-07 Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem 2023 14 135 143 7T34 Crystal structure of AtDHDPR1 from Arabidopsis thaliana 2021-12-06 2022-12-14 Mackie, E.R.R.,Barrow, A.S.,Giel, M.C.,Hulett, M.D.,Gendall, A.R.,Panjikar, S.,Soares da Costa, T.P. From bacteria to plants: a repurposing strategy in the pursuit for novel herbicides To be published 0 0 0 0 7T3E 36849793 Structure of the sialic acid bound Tripartite ATP-independent Periplasmic (TRAP) periplasmic component SiaP from Photobacterium profundum 2021-12-07 2022-12-14 Davies, J.S.,Currie, M.J.,North, R.A.,Scalise, M.,Wright, J.D.,Copping, J.M.,Remus, D.M.,Gulati, A.,Morado, D.R.,Jamieson, S.A.,Newton-Vesty, M.C.,Abeysekera, G.S.,Ramaswamy, S.,Friemann, R.,Wakatsuki, S.,Allison, J.R.,Indiveri, C.,Drew, D.,Mace, P.D.,Dobson, R.C.J. Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter. Nat Commun 2023 14 1120 1120 7UFJ 36403855 Structure of human MR1-ethylvanillin in complex with human MAIT A-F7 TCR 2022-03-22 2022-12-14 Wang, C.J.H.,Awad, W.,Liu, L.,Mak, J.Y.W.,Veerapen, N.,Illing, P.T.,Purcell, A.W.,Eckle, S.B.G.,McCluskey, J.,Besra, G.S.,Fairlie, D.P.,Rossjohn, J.,Le Nours, J. Quantitative affinity measurement of small molecule ligand binding to Major Histocompatibility Complex class-I related protein 1 MR1. J.Biol.Chem. 2022 298 102714 102714 7UJ4 36922589 Inhibition of Human Menin by SNDX-5613 2022-03-30 2022-12-14 Perner, F.,Stein, E.M.,Wenge, D.V.,Singh, S.,Kim, J.,Apazidis, A.,Rahnamoun, H.,Anand, D.,Marinaccio, C.,Hatton, C.,Wen, Y.,Stone, R.M.,Schaller, D.,Mowla, S.,Xiao, W.,Gamlen, H.A.,Stonestrom, A.J.,Persaud, S.,Ener, E.,Cutler, J.A.,Doench, J.G.,McGeehan, G.M.,Volkamer, A.,Chodera, J.D.,Nowak, R.P.,Fischer, E.S.,Levine, R.L.,Armstrong, S.A.,Cai, S.F. MEN1 mutations mediate clinical resistance to menin inhibition. Nature 2023 615 913 919 8D38 36458621 Structure of a purine nucleoside phosphorylase from Geobacillus stearothermophilus 2022-05-31 2022-12-14 Given, F.M.,Moran, F.,Johns, A.S.,Titterington, J.A.,Allison, T.M.,Crittenden, D.L.,Johnston, J.M. The structure of His-tagged Geobacillus stearothermophilus purine nucleoside phosphorylase reveals a 'spanner in the works'. Acta Crystallogr.,Sect.F 2022 78 416 422 8E90 36922589 Inhibition of Human Menin by SNDX-5613 2022-08-26 2022-12-14 Perner, F.,Stein, E.M.,Wenge, D.V.,Singh, S.,Kim, J.,Apazidis, A.,Rahnamoun, H.,Anand, D.,Marinaccio, C.,Hatton, C.,Wen, Y.,Stone, R.M.,Schaller, D.,Mowla, S.,Xiao, W.,Gamlen, H.A.,Stonestrom, A.J.,Persaud, S.,Ener, E.,Cutler, J.A.,Doench, J.G.,McGeehan, G.M.,Volkamer, A.,Chodera, J.D.,Nowak, R.P.,Fischer, E.S.,Levine, R.L.,Armstrong, S.A.,Cai, S.F. MEN1 mutations mediate clinical resistance to menin inhibition. Nature 2023 615 913 919 7T72 36755042 Epitope-based selection of SARS-CoV-2 neutralizing antibodies from convalescent patients 2021-12-14 2022-12-21 Rouet, R.,Henry, J.Y.,Johansen, M.D.,Sobti, M.,Balachandran, H.,Langley, D.B.,Walker, G.J.,Lenthall, H.,Jackson, J.,Ubiparipovic, S.,Mazigi, O.,Schofield, P.,Burnett, D.L.,Brown, S.H.J.,Martinello, M.,Hudson, B.,Gilroy, N.,Post, J.J.,Kelleher, A.,Jack, H.M.,Goodnow, C.C.,Turville, S.G.,Rawlinson, W.D.,Bull, R.A.,Stewart, A.G.,Hansbro, P.M.,Christ, D. Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients. Nat Commun 2023 14 687 687 8D4Y 36473839 C-terminal SANT-SLIDE domain of human Chromodomain-helicase-DNA-binding protein 4 (CHD4) 2022-06-03 2022-12-21 Zhong, Y.,Moghaddas Sani, H.,Paudel, B.P.,Low, J.K.K.,Silva, A.P.G.,Mueller, S.,Deshpande, C.,Panjikar, S.,Reid, X.J.,Bedward, M.J.,van Oijen, A.M.,Mackay, J.P. The role of auxiliary domains in modulating CHD4 activity suggests mechanistic commonality between enzyme families. Nat Commun 2022 13 7524 7524 7T2B 37100059 Crystal structure of the 5F TCR in complex with HLA-DP4-Ply 2021-12-03 2022-12-28 Ciacchi, L.,van de Garde, M.D.B.,Ladell, K.,Farenc, C.,Poelen, M.C.M.,Miners, K.L.,Llerena, C.,Reid, H.H.,Petersen, J.,Price, D.A.,Rossjohn, J.,van Els, C.A.C.M. CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity. Immunity 2023 56 1082 0 7T2C 37100059 Crystal structure of the B5 TCR in complex with HLA-DP4-Ply 2021-12-03 2022-12-28 Ciacchi, L.,van de Garde, M.D.B.,Ladell, K.,Farenc, C.,Poelen, M.C.M.,Miners, K.L.,Llerena, C.,Reid, H.H.,Petersen, J.,Price, D.A.,Rossjohn, J.,van Els, C.A.C.M. CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity. Immunity 2023 56 1082 0 7T2D 37100059 Crystal structure of the B1 TCR in complex with HLA-DP4-Ply 2021-12-03 2022-12-28 Ciacchi, L.,van de Garde, M.D.B.,Ladell, K.,Farenc, C.,Poelen, M.C.M.,Miners, K.L.,Llerena, C.,Reid, H.H.,Petersen, J.,Price, D.A.,Rossjohn, J.,van Els, C.A.C.M. CD4 + T cell-mediated recognition of a conserved cholesterol-dependent cytolysin epitope generates broad antibacterial immunity. Immunity 2023 56 1082 0 7USR 36520108 Plasmodium falciparum protein Pfs230 D1D2 - Structure of the first two 6-cysteine domains 2022-04-25 2022-12-28 Dietrich, M.H.,Gabriela, M.,Reaksudsan, K.,Dixon, M.W.A.,Chan, L.J.,Adair, A.,Trickey, S.,O'Neill, M.T.,Tan, L.L.,Lopaticki, S.,Healer, J.,Keremane, S.,Cowman, A.F.,Tham, W.H. Nanobodies against Pfs230 block Plasmodium falciparum transmission. 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Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry 2022 28 0 0 8D39 36043399 The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid 2022-06-01 2023-01-04 Coleman, T.,Lee, J.Z.H.,Kirk, A.M.,Doherty, D.Z.,Podgorski, M.N.,Pinidiya, D.K.,Bruning, J.B.,De Voss, J.J.,Krenske, E.H.,Bell, S.G. Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry 2022 28 0 0 7T69 Crystal structure of Avr3 (SIX1) from Fusarium oxysporum f. sp. lycopersici 2021-12-13 2023-01-11 Yu, D.S.,Outram, M.A.,Smith, A.,McCombe, C.L.,Khambalkar, P.B.,Rima, S.A.,Sun, X.,Ma, L.,Ericsson, D.J.,Jones, D.A.,Williams, S.J. The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies Elife 2023 0 0 0 7T6A Crystal structure of Avr1 (SIX4) from Fusarium oxysporum f. sp. lycopersici 2021-12-13 2023-01-11 Yu, D.S.,Outram, M.A.,Smith, A.,McCombe, C.L.,Khambalkar, P.B.,Rima, S.A.,Sun, X.,Ma, L.,Ericsson, D.J.,Jones, D.A.,Williams, S.J. The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies Elife 2023 0 0 0 7T9Q 36859344 Crystal structure of Crocodile defensin CpoBD13 2021-12-19 2023-01-18 Williams, S.A.,Lay, F.T.,Bindra, G.K.,Banjara, S.,Poon, I.K.H.,Phan, T.K.,Kvansakul, M.,Hulett, M.D. Crocodile defensin (CpoBD13) antifungal activity via pH-dependent phospholipid targeting and membrane disruption. Nat Commun 2023 14 1170 1170 7T9R 36859344 Crystal structure of Crocodile defensin CpoBD13:phosphatidic acid complex 2021-12-19 2023-01-18 Williams, S.A.,Lay, F.T.,Bindra, G.K.,Banjara, S.,Poon, I.K.H.,Phan, T.K.,Kvansakul, M.,Hulett, M.D. Crocodile defensin (CpoBD13) antifungal activity via pH-dependent phospholipid targeting and membrane disruption. Nat Commun 2023 14 1170 1170 7THS 36710259 Macrocyclic plasmin inhibitor 2022-01-12 2023-01-18 Wiedemeyer, S.J.A.,Wu, G.,Pham, T.L.P.,Lang-Henkel, H.,Perez Urzua, B.,Whisstock, J.C.,Law, R.H.P.,Steinmetzer, T. Synthesis and Structural Characterization of Macrocyclic Plasmin Inhibitors. Chemmedchem 2023 18 0 0 8DXT 36755042 Fab arm of antibody GAR12 bound to the receptor binding domain of SARS-CoV-2. 2022-08-03 2023-01-18 Rouet, R.,Henry, J.Y.,Johansen, M.D.,Sobti, M.,Balachandran, H.,Langley, D.B.,Walker, G.J.,Lenthall, H.,Jackson, J.,Ubiparipovic, S.,Mazigi, O.,Schofield, P.,Burnett, D.L.,Brown, S.H.J.,Martinello, M.,Hudson, B.,Gilroy, N.,Post, J.J.,Kelleher, A.,Jack, H.M.,Goodnow, C.C.,Turville, S.G.,Rawlinson, W.D.,Bull, R.A.,Stewart, A.G.,Hansbro, P.M.,Christ, D. Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients. 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A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants 2023 12 0 0 8EQO 36829940 Crystal structure of E.coli DsbA mutant K58A 2022-10-08 2023-02-15 Wang, G.,Qin, J.,Verderosa, A.D.,Hor, L.,Santos-Martin, C.,Paxman, J.J.,Martin, J.L.,Totsika, M.,Heras, B. A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants 2023 12 0 0 8EQP 36829940 Crystal structure of E.coli DsbA mutant E24A/E37A/K58A 2022-10-09 2023-02-15 Wang, G.,Qin, J.,Verderosa, A.D.,Hor, L.,Santos-Martin, C.,Paxman, J.J.,Martin, J.L.,Totsika, M.,Heras, B. A Buried Water Network Modulates the Activity of the Escherichia coli Disulphide Catalyst DsbA. Antioxidants 2023 12 0 0 8EQQ 36829940 Crystal structure of E.coli DsbA mutant E37A 2022-10-09 2023-02-15 Wang, G.,Qin, J.,Verderosa, A.D.,Hor, L.,Santos-Martin, C.,Paxman, J.J.,Martin, J.L.,Totsika, M.,Heras, B. 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Crystal structure of Cavia porcellus (guinea pig) importin-alpha 1 in cargo-free state To Be Published 0 0 0 0 7RXY 37480654 Hen egg-white lysozyme with ionic liquid ethylammonium nitrate 5 mol% 2021-08-24 2023-03-01 Han, Q.,Su, Y.,Smith, K.M.,Binns, J.,Drummond, C.J.,Darmanin, C.,Greaves, T.L. Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci 2023 650 1393 1405 7RYD 37480654 Hen egg-white lysozyme with ionic liquid butylammonium nitrate 1 mol% 2021-08-25 2023-03-01 Han, Q.,Su, Y.,Smith, K.M.,Binns, J.,Drummond, C.J.,Darmanin, C.,Greaves, T.L. Probing ion-binding at a protein interface: Modulation of protein properties by ionic liquids. J Colloid Interface Sci 2023 650 1393 1405 7RYK 37480654 Hen egg-white lysozyme with ionic liquid ethanolammonium nitrate 1 mol% 2021-08-25 2023-03-01 Han, Q.,Su, Y.,Smith, K.M.,Binns, J.,Drummond, C.J.,Darmanin, C.,Greaves, T.L. 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Chem.Commun.(Camb.) 2023 59 3126 3129 8FJ0 37452046 Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL2 2022-12-18 2023-03-29 Devkota, S.R.,Aryal, P.,Pokhrel, R.,Jiao, W.,Perry, A.,Panjikar, S.,Payne, R.J.,Wilce, M.C.J.,Bhusal, R.P.,Stone, M.J. Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun 2023 14 4204 4204 8FJ2 37452046 Crystal Structure of the Tick Evasin EVA-AAM1001(C8) Complexed to Human Chemokine CCL17 2022-12-19 2023-03-29 Devkota, S.R.,Aryal, P.,Pokhrel, R.,Jiao, W.,Perry, A.,Panjikar, S.,Payne, R.J.,Wilce, M.C.J.,Bhusal, R.P.,Stone, M.J. Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun 2023 14 4204 4204 8FJ3 37452046 Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL7(Y13A) 2022-12-19 2023-03-29 Devkota, S.R.,Aryal, P.,Pokhrel, R.,Jiao, W.,Perry, A.,Panjikar, S.,Payne, R.J.,Wilce, M.C.J.,Bhusal, R.P.,Stone, M.J. Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun 2023 14 4204 4204 8FJO 36842492 X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with farnesyl acetate 2022-12-20 2023-03-29 Ghith, A.,Bruning, J.B.,Bell, S.G. The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum. Arch.Biochem.Biophys. 2023 737 109554 109554 8FK6 37452046 Crystal Structure of the Tick Evasin EVA-AAM1001(Y44A) Complexed to Human Chemokine CCL7 2022-12-20 2023-03-29 Devkota, S.R.,Aryal, P.,Pokhrel, R.,Jiao, W.,Perry, A.,Panjikar, S.,Payne, R.J.,Wilce, M.C.J.,Bhusal, R.P.,Stone, M.J. Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun 2023 14 4204 4204 8FK8 37452046 Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL7 2022-12-20 2023-03-29 Devkota, S.R.,Aryal, P.,Pokhrel, R.,Jiao, W.,Perry, A.,Panjikar, S.,Payne, R.J.,Wilce, M.C.J.,Bhusal, R.P.,Stone, M.J. Engineering broad-spectrum inhibitors of inflammatory chemokines from subclass A3 tick evasins. Nat Commun 2023 14 4204 4204 8FKB 36842492 X-ray crystal structure of CYP124A1 from Mycobacterium Marinum bound to Farnesol 2022-12-21 2023-03-29 Ghith, A.,Bruning, J.B.,Bell, S.G. The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum. Arch.Biochem.Biophys. 2023 737 109554 109554 8FLO 36842492 X-ray crystal structure of substrate free CYP124A1 from Mycobacterium Marinum 2022-12-22 2023-03-29 Ghith, A.,Bruning, J.B.,Bell, S.G. The catalytic activity and structure of the lipid metabolizing CYP124 cytochrome P450 enzyme from Mycobacterium marinum. Arch.Biochem.Biophys. 2023 737 109554 109554 7SCU Crystal Structure of the Tick Evasin EVA-AAM1001 Complexed to Human Chemokine CCL7 2021-09-29 2023-04-05 Devkota, S.R.,Bhusal, R.P.,Aryal, P.,Wilce, M.C.J.,Stone, M.J. Crystal Structure of Tick Evasin EVA-AAM1001 complexed to human chemokine CCL7 To Be Published 0 0 0 0 7UI8 Intramolecular ester bond-containing repeat domain from E. columbae adhesin (split and religated) 2022-03-28 2023-04-05 Wardega, J.K.,Squire, C.J.,Young, P.G. Intramolecular ester bond-containing repeat domain from E. columbae adhesin (split and religated) To Be Published 0 0 0 0 8GAI Cavia porcellus (guinea pig) importin-alpha 1 in complex with Bimax2 peptide 2023-02-22 2023-04-05 Hawker, J.E.,Donnelly, C.M.,Stewart, M.,Forwood, J.K. Crystal structure of Cavia porcellus (guinea pig) importin-alpha 1 in complex with bimax2 peptide To Be Published 0 0 0 0 7TXF 37124228 The allosteric binding mode of alphaD-conotoxin VxXXB 2022-02-09 2023-04-12 Ho, T.N.,Abraham, N.,Lewis, R.J. Unravelling the allosteric binding mode of alpha D-VxXXB at nicotinic acetylcholine receptors. Front Pharmacol 2023 14 1170514 1170514 7ULD GTP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus 2022-04-04 2023-04-12 Bashiri, G.,Bramley, W.,Bulloch, E.,Stutely, S.,Middleditch, M.,Young, P.,Naqvi, M.,Harris, P.,Baker, E.N.,Squire, C.J. A Universal Mechanism for Poly-glutamylation To Be Published 0 0 0 0 7ULE F420-1/GDP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus 2022-04-04 2023-04-12 Bashiri, G.,Bramley, W.,Bulloch, E.,Stutely, S.,Middleditch, M.,Young, P.,Naqvi, M.,Harris, P.,Baker, E.N.,Squire, C.J. A Universal Mechanism for Poly-glutamylation To Be Published 0 0 0 0 7ULF l-glutamate/GTP complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus 2022-04-04 2023-04-12 Bashiri, G.,Bramley, W.,Bulloch, E.,Stutely, S.,Middleditch, M.,Young, P.,Naqvi, M.,Harris, P.,Baker, E.N.,Squire, C.J. A Universal Mechanism for Poly-glutamylation To Be Published 0 0 0 0 8ED4 36995233 Structure of the complex between the arsenite oxidase and its native electron acceptor cytochrome c552 from Pseudorhizobium sp. str. NT-26 2022-09-03 2023-04-12 Poddar, N.,Santini, J.M.,Maher, M.J. The structure of the complex between the arsenite oxidase from Pseudorhizobium banfieldiae sp. strain NT-26 and its native electron acceptor cytochrome c 552. Acta Crystallogr D Struct Biol 2023 79 345 352 8DV4 36587766 Crystal structure of the BC8B TCR-CD1b-PI complex 2022-07-28 2023-04-19 Farquhar, R.,Van Rhijn, I.,Moody, D.B.,Rossjohn, J.,Shahine, A. alpha beta T-cell receptor recognition of self-phosphatidylinositol presented by CD1b. J.Biol.Chem. 2023 299 102849 102849 7UM2 SARS-CoV-2 Spike-derived peptide S417-425 K417T mutant (TIADYNYKL) presented by HLA-A*02:01 2022-04-06 2023-04-26 Szeto, C.,Gras, S. SARS-CoV-2 Spike-derived peptide S417-425 K417T mutant (TIADYNYKL) presented by HLA-A*02:01 To Be Published 0 0 0 0 7UR1 SARS-CoV-2 Spike-derived peptide S1215-1224 (YIWLGFIAGL) presented by HLA-A*02:01 2022-04-21 2023-04-26 Szeto, C.,Ahn, Y.M.,Gras, S. SARS-CoV-2 Spike-derived peptide S1215-1224 (YIWLGFIAGL) presented by HLA-A*02:01 To Be Published 0 0 0 0 7URH 37014173 Crystal structure of Ferritin 2 from Caenorhabditis elegans, FTN-2 2022-04-22 2023-04-26 Mubarak, S.S.M.,Malcolm, T.R.,Brown, H.G.,Hanssen, E.,Maher, M.J.,McColl, G.,Jameson, G.N.L. Biochemical Characterization of Caenorhabditis elegans Ferritins. Biochemistry 2023 62 1484 1496 7USN 37014173 Crystal structure of ferritin 1 from Caenorhabditis elegans, FTN-1 2022-04-25 2023-04-26 Mubarak, S.S.M.,Malcolm, T.R.,Brown, H.G.,Hanssen, E.,Maher, M.J.,McColl, G.,Jameson, G.N.L. Biochemical Characterization of Caenorhabditis elegans Ferritins. Biochemistry 2023 62 1484 1496 8FV0 SpeG spermidine N-acetyltransferase from Staphylococcus aureus in complex with spermine 2023-01-18 2023-04-26 Tsimbalyuk, S.,Forwood, J.K. SpeG spermidine N-acetyltransferase from Staphylococcus aureus in complex with spermine To Be Published 0 0 0 0 8F2Q 36990397 Human Parvovirus B19 Nonstructural NS1 Protein NLS bound to Importin Alpha 2 2022-11-08 2023-05-03 Alvisi, G.,Manaresi, E.,Cross, E.M.,Hoad, M.,Akbari, N.,Pavan, S.,Ariawan, D.,Bua, G.,Petersen, G.F.,Forwood, J.,Gallinella, G. Importin alpha / beta-dependent nuclear transport of human parvovirus B19 nonstructural protein 1 is essential for viral replication. Antiviral Res. 2023 213 105588 105588 8SKK Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL17 2023-04-19 2023-05-03 Devkota, S.R.,Bhusal, R.P.,Aryal, P.,Wilce, M.C.J.,Stone, M.J. Crystal Structure of the Tick Evasin EVA-AAM1001(L39P) Complexed to Human Chemokine CCL7 To be Published 0 0 0 0 7SQB 37146157 PPAR gamma LBD bound to Inverse Agonist SR10221 2021-11-05 2023-05-10 Frkic, R.L.,Pederick, J.L.,Horsfall, A.J.,Jovcevski, B.,Crame, E.E.,Kowalczyk, W.,Pukala, T.L.,Chang, M.R.,Zheng, J.,Blayo, A.L.,Abell, A.D.,Kamenecka, T.M.,Harbort, J.S.,Harmer, J.R.,Griffin, P.R.,Bruning, J.B. PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles. Acs Chem.Biol. 2023 18 1115 1123 8G9M Acinetobacter_baumannii short-chain dehydrogenase 2023-02-21 2023-05-10 Shaw, K.,Forwood, J.K. Acinetobacter_baumannii short-chain dehydrogenase To Be Published 0 0 0 0 8GBB 37616198 Short-chain dehydrogenase/reductase (SDR) from multi-drug resistant Acinetobacter baumannii 2023-02-24 2023-05-10 Ghafoori, S.M.,Abdollahpour, S.,Shirmast, P.,Forwood, J.K. Crystallographic structure determination and analysis of a potential short-chain dehydrogenase/reductase (SDR) from multi-drug resistant Acinetobacter baumannii. Plos One 2023 18 0 0 7V03 Crystal structure of cytoplasmic triosephosphate isomerase from Cuscuta australis 2022-05-09 2023-05-17 Jones, G.,Vickers, C.,Patrick, W. Crystal structure of cytoplasmic triosephosphate isomerase from Cuscuta australis To Be Published 0 0 0 0 8CV4 37269828 Peptide 4.2C in complex with BRD4.2 2022-05-18 2023-05-24 Franck, C.,Patel, K.,Walport, L.J.,Christie, M.,Norman, A.,Passioura, T.,Suga, H.,Payne, R.J.,Mackay, J.P. Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure 2023 31 912 0 8CV5 37269828 Peptide 4.2B in complex with BRD3.2 2022-05-18 2023-05-24 Franck, C.,Patel, K.,Walport, L.J.,Christie, M.,Norman, A.,Passioura, T.,Suga, H.,Payne, R.J.,Mackay, J.P. Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure 2023 31 912 0 8CV6 37269828 Peptide 4.2B in complex with BRD4.2 2022-05-18 2023-05-24 Franck, C.,Patel, K.,Walport, L.J.,Christie, M.,Norman, A.,Passioura, T.,Suga, H.,Payne, R.J.,Mackay, J.P. Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure 2023 31 912 0 8CV7 37269828 Peptide 2.2E in complex with BRD2-BD2 2022-05-18 2023-05-24 Franck, C.,Patel, K.,Walport, L.J.,Christie, M.,Norman, A.,Passioura, T.,Suga, H.,Payne, R.J.,Mackay, J.P. Discovery and characterization of cyclic peptides selective for the C-terminal bromodomains of BET family proteins. Structure 2023 31 912 0 8CWI Fab arm of antibody 10G4 bound to CoV-2 receptor binding domain (RBD) 2022-05-19 2023-05-24 Langley, D.B.,Christ, D. Neutralization of CoV-2 omicron lineages by affinity-matured class 5 antibodies To Be Published 0 0 0 0 8CWJ Fab arms of antibodies 4C12-B12 and CR3022 bound to pangolin receptor binding domain (pRBD) 2022-05-19 2023-05-24 Langley, D.B.,Christ, D. Neutralization of CoV-2 omicron lineages by affinity-matured class 5 antibodies To Be Published 0 0 0 0 8CWK Fab arm of antibodies 4G1-C2 and 10G4 bound to CoV-2 receptor binding domain (RBD) 2022-05-19 2023-05-24 Langley, D.B.,Christ, D. Neutralization of CoV-2 omicron sublineages by affinity-matured class 5 antibodies To Be Published 0 0 0 0 8ESD 37172566 Crystal structure of COMMD7-COMMD9-COMMD5-COMMD10 tetramer 2022-10-13 2023-05-24 Healy, M.D.,McNally, K.E.,Butkovic, R.,Chilton, M.,Kato, K.,Sacharz, J.,McConville, C.,Moody, E.R.R.,Shaw, S.,Planelles-Herrero, V.J.,Yadav, S.K.N.,Ross, J.,Borucu, U.,Palmer, C.S.,Chen, K.E.,Croll, T.I.,Hall, R.J.,Caruana, N.J.,Ghai, R.,Nguyen, T.H.D.,Heesom, K.J.,Saitoh, S.,Berger, I.,Schaffitzel, C.,Williams, T.A.,Stroud, D.A.,Derivery, E.,Collins, B.M.,Cullen, P.J. Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome. Cell 2023 186 2219 0 8ESE 37172566 Crystal structure of human Vps29 bound to a peptide from Vps35L 2022-10-13 2023-05-24 Healy, M.D.,McNally, K.E.,Butkovic, R.,Chilton, M.,Kato, K.,Sacharz, J.,McConville, C.,Moody, E.R.R.,Shaw, S.,Planelles-Herrero, V.J.,Yadav, S.K.N.,Ross, J.,Borucu, U.,Palmer, C.S.,Chen, K.E.,Croll, T.I.,Hall, R.J.,Caruana, N.J.,Ghai, R.,Nguyen, T.H.D.,Heesom, K.J.,Saitoh, S.,Berger, I.,Schaffitzel, C.,Williams, T.A.,Stroud, D.A.,Derivery, E.,Collins, B.M.,Cullen, P.J. Structure of the endosomal Commander complex linked to Ritscher-Schinzel syndrome. Cell 2023 186 2219 0 8CZ9 38417019 Crystal Structure of the E372K LNK SH2 Domain mutant in Complex with a JAK2 pY813 Phosphopeptide 2022-05-24 2023-05-31 Zhang, Y.,Morris, R.,Brown, G.J.,Lorenzo, A.M.D.,Meng, X.,Kershaw, N.J.,Kiridena, P.,Burgio, G.,Gross, S.,Cappello, J.Y.,Shen, Q.,Wang, H.,Turnbull, C.,Lea-Henry, T.,Stanley, M.,Yu, Z.,Ballard, F.D.,Chuah, A.,Lee, J.C.,Hatch, A.M.,Enders, A.,Masters, S.L.,Headley, A.P.,Trnka, P.,Mallon, D.,Fletcher, J.T.,Walters, G.D.,Sestan, M.,Jelusic, M.,Cook, M.C.,Athanasopoulos, V.,Fulcher, D.A.,Babon, J.J.,Vinuesa, C.G.,Ellyard, J.I. Rare SH2B3 coding variants in lupus patients impair B cell tolerance and predispose to autoimmunity. J.Exp.Med. 2024 221 0 0 8SV0 The crystal structure of the classical binding interface of Importin alpha 2 and nuclear localisation signal sequence in Psittacine siadenovirus core protein VII 2023-05-14 2023-05-31 Athukorala, A.,Sarker, S.,Forwood, J.K.,Donnelly, C.M. Structural and functional characterization of nuclear localization signal of pVII protein of psittacine siadenovirus F demonstrates an independent transport of pVII protein into the nucleus To Be Published 0 0 0 0 8DGM 37336884 14-3-3 epsilon bound to phosphorylated PEAK1 (pT1165) peptide 2022-06-24 2023-06-07 Roy, M.J.,Surudoi, M.G.,Kropp, A.,Hou, J.,Dai, W.,Hardy, J.M.,Liang, L.Y.,Cotton, T.R.,Lechtenberg, B.C.,Dite, T.A.,Ma, X.,Daly, R.J.,Patel, O.,Lucet, I.S. Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling. Nat Commun 2023 14 3542 3542 8DGN 37336884 14-3-3 epsilon bound to phosphorylated PEAK2 (pS826) peptide 2022-06-24 2023-06-07 Roy, M.J.,Surudoi, M.G.,Kropp, A.,Hou, J.,Dai, W.,Hardy, J.M.,Liang, L.Y.,Cotton, T.R.,Lechtenberg, B.C.,Dite, T.A.,Ma, X.,Daly, R.J.,Patel, O.,Lucet, I.S. Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling. Nat Commun 2023 14 3542 3542 8DGO 37336884 Growth Factor Receptor-Bound Protein 2 (Grb2) bound to phosphorylated PEAK3 (pY24) peptide 2022-06-24 2023-06-07 Roy, M.J.,Surudoi, M.G.,Kropp, A.,Hou, J.,Dai, W.,Hardy, J.M.,Liang, L.Y.,Cotton, T.R.,Lechtenberg, B.C.,Dite, T.A.,Ma, X.,Daly, R.J.,Patel, O.,Lucet, I.S. Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling. Nat Commun 2023 14 3542 3542 8DGP 37336884 14-3-3 epsilon bound to phosphorylated PEAK3 (pS69) peptide 2022-06-24 2023-06-07 Roy, M.J.,Surudoi, M.G.,Kropp, A.,Hou, J.,Dai, W.,Hardy, J.M.,Liang, L.Y.,Cotton, T.R.,Lechtenberg, B.C.,Dite, T.A.,Ma, X.,Daly, R.J.,Patel, O.,Lucet, I.S. Structural mapping of PEAK pseudokinase interactions identifies 14-3-3 as a molecular switch for PEAK3 signaling. Nat Commun 2023 14 3542 3542 8G8K 37211532 Crystal structure of Rv1916 (residues 233-398) 2023-02-18 2023-06-07 Huang, E.Y.,Kwai, B.X.C.,Bhusal, R.P.,Bashiri, G.,Leung, I.K.H. Mycobacterium tuberculosis Rv1916 is an Acetyl-CoA-Binding Protein. Chembiochem 2023 24 0 0 8ELG 37468623 Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANAF from OC43 virus 2022-09-24 2023-06-14 Augusto, D.G.,Murdolo, L.D.,Chatzileontiadou, D.S.M.,Sabatino Jr., J.J.,Yusufali, T.,Peyser, N.D.,Butcher, X.,Kizer, K.,Guthrie, K.,Murray, V.W.,Pae, V.,Sarvadhavabhatla, S.,Beltran, F.,Gill, G.S.,Lynch, K.L.,Yun, C.,Maguire, C.T.,Peluso, M.J.,Hoh, R.,Henrich, T.J.,Deeks, S.G.,Davidson, M.,Lu, S.,Goldberg, S.A.,Kelly, J.D.,Martin, J.N.,Vierra-Green, C.A.,Spellman, S.R.,Langton, D.J.,Dewar-Oldis, M.J.,Smith, C.,Barnard, P.J.,Lee, S.,Marcus, G.M.,Olgin, J.E.,Pletcher, M.J.,Maiers, M.,Gras, S.,Hollenbach, J.A. A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection. Nature 2023 620 128 136 8ELH 37468623 Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANQF from SARS-CoV-2 virus 2022-09-24 2023-06-14 Augusto, D.G.,Murdolo, L.D.,Chatzileontiadou, D.S.M.,Sabatino Jr., J.J.,Yusufali, T.,Peyser, N.D.,Butcher, X.,Kizer, K.,Guthrie, K.,Murray, V.W.,Pae, V.,Sarvadhavabhatla, S.,Beltran, F.,Gill, G.S.,Lynch, K.L.,Yun, C.,Maguire, C.T.,Peluso, M.J.,Hoh, R.,Henrich, T.J.,Deeks, S.G.,Davidson, M.,Lu, S.,Goldberg, S.A.,Kelly, J.D.,Martin, J.N.,Vierra-Green, C.A.,Spellman, S.R.,Langton, D.J.,Dewar-Oldis, M.J.,Smith, C.,Barnard, P.J.,Lee, S.,Marcus, G.M.,Olgin, J.E.,Pletcher, M.J.,Maiers, M.,Gras, S.,Hollenbach, J.A. A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection. Nature 2023 620 128 136 8G3J Non-ribosomal PCP-C didomain R2577G (thioether stabilised glycolic acid) acceptor bound state 2023-02-08 2023-06-14 Ho, Y.T.C.,Izore, T.,Kaczmarski, J.A.,Marschall, E.,Ratnayake, M.,Tailhades, J.,Steer, D.L.,Schittenhelm, R.B.,Tosin, M.,Jackson, C.J.,Cryle, M.J. Exploring the selectivity and engineering potential of an NRPS condensation domain involved in the biosynthesis of the thermophilic siderophore fuscachelin Front Catal 2023 3 0 0 8DAE Arabidopsis thaliana bifunctional dihydrofolate reductase-thymidylate synthase 2022-06-13 2023-06-21 Bond, C.S.,Haywood, J. Arabidopsis thaliana bifunctional dihydrofolate reductase-thymidylate synthase To Be Published 0 0 0 0 8EB9 38411527 Crystal structure of SIX8 from Fusarium oxysporum f. sp. lycopersici 2022-08-30 2023-06-21 Yu, D.S.,Outram, M.A.,Smith, A.,McCombe, C.L.,Khambalkar, P.B.,Rima, S.A.,Sun, X.,Ma, L.,Ericsson, D.J.,Jones, D.A.,Williams, S.J. The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies. Elife 2024 12 0 0 8FX6 37310188 Non-ribosomal PCP-C didomain (amide stabilised leucine) acceptor bound state 2023-01-24 2023-06-21 Ho, Y.T.C.,Kaczmarski, J.A.,Tailhades, J.,Izore, T.,Steer, D.L.,Schittenhelm, R.B.,Tosin, M.,Jackson, C.J.,Cryle, M.J. Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis. Chem.Commun.(Camb.) 2023 59 8234 8237 8FX7 37310188 Non-ribosomal PCP-C didomain (ester stabilised leucine) acceptor bound state 2023-01-24 2023-06-21 Ho, Y.T.C.,Kaczmarski, J.A.,Tailhades, J.,Izore, T.,Steer, D.L.,Schittenhelm, R.B.,Tosin, M.,Jackson, C.J.,Cryle, M.J. Not always an innocent bystander: the impact of stabilised phosphopantetheine moieties when studying nonribosomal peptide biosynthesis. Chem.Commun.(Camb.) 2023 59 8234 8237 8SHI 37330172 Valpha3S1 Vbeta13S1 HLA C 0602 VRSRRCLRL 2023-04-14 2023-06-28 Anand, S.,Littler, D.R.,Mobbs, J.I.,Braun, A.,Baker, D.G.,Tennant, L.,Purcell, A.W.,Vivian, J.P.,Rossjohn, J. Complimentary electrostatics dominate T-cell receptor binding to a psoriasis-associated peptide antigen presented by human leukocyte antigen C∗06:02. J.Biol.Chem. 2023 299 104930 104930 8DFW Crystal Structure of Human BTN2A1 in Complex With Vgamma9-Vdelta2 T Cell Receptor 2022-06-22 2023-07-05 Fulford, T.S.,Soliman, C.,Castle, R.G.,Rigau, M.,Ruan, Z.,Dolezal, O.,Seneviratna, R.,Brown, H.G.,Hanssen, E.,Hammet, A.,Li, S.,Redmond, S.J.,Chung, A.,Gorman, M.A.,Parker, M.W.,Patel, O.,Peat, T.S.,Newman, J.,Behren, A.,Gherardin, N.A.,Godfrey, D.I.,Uldrich, A.P. Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers To Be Published 0 0 0 0 8DFX Crystal structure of Human BTN2A1-BTN3A1 Ectodomain Complex 2022-06-22 2023-07-05 Fulford, T.S.,Soliman, C.,Castle, R.G.,Rigau, M.,Ruan, Z.,Dolezal, O.,Seneviratna, R.,Brown, H.G.,Hanssen, E.,Hammet, A.,Li, S.,Redmond, S.J.,Chung, A.,Gorman, M.A.,Parker, M.W.,Patel, O.,Peat, T.S.,Newman, J.,Behren, A.,Gherardin, N.A.,Godfrey, D.I.,Uldrich, A.P. Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers To Be Published 0 0 0 0 8DFY Crystal structure of Human BTN2A1 Ectodomain 2022-06-22 2023-07-05 Fulford, T.S.,Soliman, C.,Castle, R.G.,Rigau, M.,Ruan, Z.,Dolezal, O.,Seneviratna, R.,Brown, H.G.,Hanssen, E.,Hammet, A.,Li, S.,Redmond, S.J.,Chung, A.,Gorman, M.A.,Parker, M.W.,Patel, O.,Peat, T.S.,Newman, J.,Behren, A.,Gherardin, N.A.,Godfrey, D.I.,Uldrich, A.P. Vgamma9-Vdelta2 T cells recognize butyrophilin 2A1 and 3A1 heteromers To Be Published 0 0 0 0 8EXI 37316570 Crystal structure of apo PTP1B D181A/Q262A phosphatase domain 2022-10-25 2023-07-05 Morris, R.,Keating, N.,Tan, C.,Chen, H.,Laktyushin, A.,Saiyed, T.,Liau, N.P.D.,Nicola, N.A.,Tiganis, T.,Kershaw, N.J.,Babon, J.J. Structure guided studies of the interaction between PTP1B and JAK. Commun Biol 2023 6 641 641 8EXJ 37316570 Crystal structure of PTP1B D181A/Q262A phosphatase domain in complex with a JAK1 activation loop phosphopeptide 2022-10-25 2023-07-05 Morris, R.,Keating, N.,Tan, C.,Chen, H.,Laktyushin, A.,Saiyed, T.,Liau, N.P.D.,Nicola, N.A.,Tiganis, T.,Kershaw, N.J.,Babon, J.J. Structure guided studies of the interaction between PTP1B and JAK. Commun Biol 2023 6 641 641 8EXK 37316570 Crystal structure of PTP1B D181A/Q262A phosphatase domain with JAK2 activation loop phosphopeptide 2022-10-25 2023-07-05 Morris, R.,Keating, N.,Tan, C.,Chen, H.,Laktyushin, A.,Saiyed, T.,Liau, N.P.D.,Nicola, N.A.,Tiganis, T.,Kershaw, N.J.,Babon, J.J. Structure guided studies of the interaction between PTP1B and JAK. Commun Biol 2023 6 641 641 8EXM 37316570 Crystal structure of PTP1B D181A/Q262A phosphatase domain with a JAK3 activation loop phosphopeptide 2022-10-25 2023-07-05 Morris, R.,Keating, N.,Tan, C.,Chen, H.,Laktyushin, A.,Saiyed, T.,Liau, N.P.D.,Nicola, N.A.,Tiganis, T.,Kershaw, N.J.,Babon, J.J. Structure guided studies of the interaction between PTP1B and JAK. Commun Biol 2023 6 641 641 8EXN 37316570 Crystal structure of PTP1B D181A/Q262A phosphatase domain with TYK2 activation loop phosphopeptide 2022-10-25 2023-07-05 Morris, R.,Keating, N.,Tan, C.,Chen, H.,Laktyushin, A.,Saiyed, T.,Liau, N.P.D.,Nicola, N.A.,Tiganis, T.,Kershaw, N.J.,Babon, J.J. Structure guided studies of the interaction between PTP1B and JAK. Commun Biol 2023 6 641 641 8EYA 37316570 Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with a JAK2 activation loop phosphopeptide 2022-10-26 2023-07-05 Morris, R.,Keating, N.,Tan, C.,Chen, H.,Laktyushin, A.,Saiyed, T.,Liau, N.P.D.,Nicola, N.A.,Tiganis, T.,Kershaw, N.J.,Babon, J.J. Structure guided studies of the interaction between PTP1B and JAK. Commun Biol 2023 6 641 641 8EYB 37316570 Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with JAK2 activation loop phosphopeptide 2022-10-26 2023-07-05 Morris, R.,Keating, N.,Tan, C.,Chen, H.,Laktyushin, A.,Saiyed, T.,Liau, N.P.D.,Nicola, N.A.,Tiganis, T.,Kershaw, N.J.,Babon, J.J. Structure guided studies of the interaction between PTP1B and JAK. Commun Biol 2023 6 641 641 8F88 37316570 Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with monophosphorylated JAK2 activation loop phosphopeptide 2022-11-21 2023-07-05 Morris, R.,Keating, N.,Tan, C.,Chen, H.,Laktyushin, A.,Saiyed, T.,Liau, N.P.D.,Nicola, N.A.,Tiganis, T.,Kershaw, N.J.,Babon, J.J. Structure guided studies of the interaction between PTP1B and JAK. Commun Biol 2023 6 641 641 8E07 37368361 Crystal structure of HPSE P6 in complex with triose pentosan inhibitor 2022-08-08 2023-07-12 Whitefield, C.,Vo, Y.,Schwartz, B.D.,Hepburn, C.,Ahmed, F.H.,Onagi, H.,Banwell, M.G.,Nelms, K.,Malins, L.R.,Jackson, C.J. Complex Inhibitory Mechanism of Glycomimetics with Heparanase. Biochemistry 2023 62 2202 2215 8E08 37368361 Crystal structure of HPSE P6 in complex with tetraose pentosan inhibitor 2022-08-08 2023-07-12 Whitefield, C.,Vo, Y.,Schwartz, B.D.,Hepburn, C.,Ahmed, F.H.,Onagi, H.,Banwell, M.G.,Nelms, K.,Malins, L.R.,Jackson, C.J. Complex Inhibitory Mechanism of Glycomimetics with Heparanase. Biochemistry 2023 62 2202 2215 8GBQ 37541247 Structure of RNF125 in complex with UbcH5b 2023-02-27 2023-07-19 Middleton, A.J.,Barzak, F.M.,Fokkens, T.J.,Nguyen, K.,Day, C.L. Zinc finger 1 of the RING E3 ligase, RNF125, interacts with the E2 to enhance ubiquitylation. Structure 2023 31 1208 0 8GCB 37541247 Structure of RNF125 in complex with a UbcH5b~Ub conjugate 2023-03-01 2023-07-19 Middleton, A.J.,Barzak, F.M.,Fokkens, T.J.,Nguyen, K.,Day, C.L. Zinc finger 1 of the RING E3 ligase, RNF125, interacts with the E2 to enhance ubiquitylation. Structure 2023 31 1208 0 8SG7 38441555 Adeno-Associated Virus Bat origin capsid protein basic regions in complex with importin-alpha 2 2023-04-11 2023-07-19 Hoad, M.,Roby, J.A.,Forwood, J.K. Structural basis for nuclear import of bat adeno-associated virus capsid protein. J.Gen.Virol. 2024 105 0 0 8DZV 37440171 Chicken anti-cardiac Troponin I antibody in complex with peptide 2022-08-08 2023-07-26 Islam, J.,Conroy, P.,Fercher, C.,Kim, M.,Yaari, Z.,Jones, M.,Bell, T.D.M.,Caradoc-Davies, T.,Law, R.,Whisstock, J.,Heller, D.,Mahler, S.,Corrie, S. Design of Polarity-Dependent Immunosensors Based on the Structural Analysis of Engineered Antibodies. Acs Chem.Biol. 2023 18 1863 1871 8GU0 37509117 Crystal structure of a fungal halogenase RadH 2022-09-09 2023-07-26 Peh, G.,Gunawan, G.A.,Tay, T.,Tiong, E.,Tan, L.L.,Jiang, S.,Goh, Y.L.,Ye, S.,Wong, J.,Brown, C.J.,Zhao, H.,Ang, E.L.,Wong, F.T.,Lim, Y.H. Further Characterization of Fungal Halogenase RadH and Its Homologs. Biomolecules 2023 13 0 0 8SKL 37500611 PTP1B in complex with 182 2023-04-20 2023-08-02 Liang, S.,Tran, E.,Du, X.,Dong, J.,Sudholz, H.,Chen, H.,Qu, Z.,Huntington, N.D.,Babon, J.J.,Kershaw, N.J.,Zhang, Z.Y.,Baell, J.B.,Wiede, F.,Tiganis, T. A small molecule inhibitor of PTP1B and PTPN2 enhances T cell anti-tumor immunity. Nat Commun 2023 14 4524 4524 8SZQ 37860960 Cat DHX9 bound to ADP 2023-05-30 2023-08-02 Lee, Y.T.,Sickmier, E.A.,Grigoriu, S.,Castro, J.,Boriack-Sjodin, P.A. Crystal structures of the DExH-box RNA helicase DHX9. Acta Crystallogr D Struct Biol 2023 79 980 991 8SZR 37860960 Dog DHX9 bound to ADP 2023-05-30 2023-08-02 Lee, Y.T.,Sickmier, E.A.,Grigoriu, S.,Castro, J.,Boriack-Sjodin, P.A. Crystal structures of the DExH-box RNA helicase DHX9. Acta Crystallogr D Struct Biol 2023 79 980 991 8THM Beta carbonic anhydrase from the carboxysome of Cyanobium PCC 7001 2023-07-17 2023-08-09 Pulsford, S.B.,Outram, M.A.,Forster, B.,Jackson, C.J.,Rhodes, T.,Williams, S.J.,Price, G.D.,Badger, M.R.,Long, B.M. Alpha-cyanobacterial carbonic anhydrase is allosterically regulated by the Rubisco substrate Ribulose 1,5-bisphosphate (RuBP) To Be Published 0 0 0 0 8EYC 37316570 Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with TYK2 activation loop phosphopeptide 2022-10-26 2023-08-16 Morris, R.,Keating, N.,Tan, C.,Chen, H.,Laktyushin, A.,Saiyed, T.,Liau, N.P.D.,Nicola, N.A.,Tiganis, T.,Kershaw, N.J.,Babon, J.J. Structure guided studies of the interaction between PTP1B and JAK. Commun Biol 2023 6 641 641 8TNE 37762041 Crystal structure of bacterial pectin methylesterase Pme8A from rumen Butyrivibrio 2023-08-01 2023-08-16 Carbone, V.,Reilly, K.,Sang, C.,Schofield, L.R.,Ronimus, R.S.,Kelly, W.J.,Attwood, G.T.,Palevich, N. Crystal Structures of Bacterial Pectin Methylesterases Pme8A and PmeC2 from Rumen Butyrivibrio . Int J Mol Sci 2023 24 0 0 8E5H Old Yellow Enzyme 5 (PcOYE5) from Pseudomonas chloritidismutans 2022-08-22 2023-08-30 Frkic, R.L.,Jackson, C.J. Old Yellow Enzyme 5 (PcOYE5) from Pseudomonas chloritidismutans To Be Published 0 0 0 0 8E5I Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp. 2022-08-22 2023-08-30 Frkic, R.L.,Jackson, C.J. Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp. To Be Published 0 0 0 0 8E5J 36268769 The crystal structure of 4-n-butylbenzoic acid bound CYP199A4 2022-08-22 2023-08-30 Coleman, T.,Doherty, D.Z.,Zhang, T.,Podgorski, M.N.,Qiao, R.,Lee, J.H.Z.,Bruning, J.B.,De Voss, J.J.,Zhou, W.,Bell, S.G. Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation. Chem Asian J 2022 17 0 0 8EVW 37581574 DdlA from Pseudomonas aeruginosa PAO1 in complex with ATP and D-ala-D-ala 2022-10-21 2023-08-30 Pederick, J.L.,Woolman, J.C.,Bruning, J.B. Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets. Febs J. 2023 290 5536 5553 8EVX 37581574 DdlA from Pseudomonas aeruginosa PAO1 in complex with ADP and phosphorylated D-cycloserine 2022-10-21 2023-08-30 Pederick, J.L.,Woolman, J.C.,Bruning, J.B. Comparative functional and structural analysis of Pseudomonas aeruginosa d-alanine-d-alanine ligase isoforms as prospective antibiotic targets. Febs J. 2023 290 5536 5553 8FII Wild type APOBEC3A in complex with TT(FdZ)-hairpin inhibitor (crystal form 1) 2022-12-16 2023-09-06 Harjes, S.,Kurup, H.M.,Filichev, V.,Harjes, E.,Jameson, G.B. DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells To Be Published 0 0 0 0 8FIJ Wild type APOBEC3A in complex with TT(FdZ)-hairpin inhibitor (crystal form 2) 2022-12-16 2023-09-06 Harjes, S.,Kurup, H.M.,Filichev, V.,Harjes, E.,Jameson, G.B. DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells To Be Published 0 0 0 0 8FIK APOBEC3A E72A inactive mutant in complex with ATTC-hairpin DNA substrate 2022-12-16 2023-09-06 Harjes, S.,Kurup, H.M.,Filichev, V.,Harjes, E.,Jameson, G.B. DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells To Be Published 0 0 0 0 8FIL Zinc-free APOBEC3A (inactive E72A mutant) in complex with TTC-hairpin DNA substrate 2022-12-16 2023-09-06 Harjes, S.,Kurup, H.M.,Filichev, V.,Harjes, E.,Jameson, G.B. DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells To Be Published 0 0 0 0 8FIM Structure of APOBEC3A (E72A inactive mutant) in complex with TTC-hairpin DNA substrate 2022-12-16 2023-09-06 Harjes, S.,Kurup, H.M.,Filichev, V.,Harjes, E.,Jameson, G.B. DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells To Be Published 0 0 0 0 8GLI Crystal Structure of Human CD1b in Complex with Mycobacterial C85-GMM 2023-03-22 2023-09-20 Huang, S.,Shahine, A.,Cheng, T.Y.,Chen, Y.L.,Ng, S.W.,Balaji, G.R.,Farquhar, R.,Gras, S.,Hardman, C.S.,Altman, J.D.,Tahiri, N.,Minnaard, A.J.,Ogg, G.S.,Mayfield, J.A.,Rossjohn, J.,Moody, D.B. CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms Cell(Cambridge,Mass.) 2023 186 1 14 8FTP 37824340 FphH, Staphylococcus aureus fluorophosphonate-binding serine hydrolases H, apo form 2023-01-12 2023-10-11 Fellner, M.,Walsh, A.,Dela Ahator, S.,Aftab, N.,Sutherland, B.,Tan, E.W.,Bakker, A.T.,Martin, N.I.,van der Stelt, M.,Lentz, C.S. Biochemical and Cellular Characterization of the Function of Fluorophosphonate-Binding Hydrolase H (FphH) in Staphylococcus aureus Support a Role in Bacterial Stress Response. Acs Infect Dis. 2023 9 2119 2132 8B82 Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide 2022-10-04 2023-10-18 Stewart, B.Z.,Caria, S.,Humbert, P.O.,Kvansakul, M. Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published 0 0 0 0 8B87 Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide 2022-10-04 2023-10-18 Stewart, B.Z.,Caria, S.,Humbert, P.O.,Kvansakul, M. Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published 0 0 0 0 8B8O Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide 2022-10-04 2023-10-18 Stewart, B.Z.,Caria, S.,Humbert, P.O.,Kvansakul, M. Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published 0 0 0 0 8B9T Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide 2022-10-07 2023-10-18 Stewart, B.Z.,Caria, S.,Humbert, P.O.,Kvansakul, M. Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published 0 0 0 0 8EKG MHETase variant Thr159Val, Met192Tyr, Tyr252Phe, Tyr503Trp 2022-09-20 2023-10-18 Saunders, J.W.,Damry, A.D.,Vongsouthi, V.,Frkic, R.L.,Spence, M.A.,Yates, P.M.,McLeod, M.D.,Tokuriki, N.,Jackson, C.J. MHETase protein engineering using a novel colorimetric assay To Be Published 0 0 0 0 8ERE HTLV-1 capsid protein N-terminal domain triclinic crystal form 2022-10-11 2023-10-18 Yu, R.J.,Li, N.,Jacques, D.A. HTLV-1 capsid protein N-terminal domain triclinic crystal form To Be Published 0 0 0 0 8ERF HTLV-1 capsid protein N-terminal domain orthorhombic crystal form 2022-10-11 2023-10-18 Yu, R.J.,Li, N.,Jacques, D.A. HTLV-1 capsid protein N-terminal domain orthorhombic crystal form To Be Published 0 0 0 0 8ERG HTLV-1 capsid protein N-terminal domain hexagonal crystal form 2022-10-11 2023-10-18 Yu, R.J.,Li, N.,Jacques, D.A. HTLV-1 capsid protein N-terminal domain hexagonal crystal form To Be Published 0 0 0 0 8ERH HTLV-1 capsid protein C-terminal domain 2022-10-11 2023-10-18 Yu, R.J.,Li, N.,Jacques, D.A. HTLV-1 capsid protein C-terminal domain To Be Published 0 0 0 0 8ERI HTLV-1 capsid protein full-length 2022-10-11 2023-10-18 Yu, R.J.,Li, N.,Jacques, D.A. HTLV-1 capsid protein full-length To Be Published 0 0 0 0 7SUT 37957226 Light harvesting phycobiliprotein HaPE645 from the cryptophyte Hemiselmis andersenii CCMP644 2021-11-18 2023-10-25 Rathbone, H.W.,Laos, A.J.,Michie, K.A.,Iranmanesh, H.,Biazik, J.,Goodchild, S.C.,Thordarson, P.,Green, B.R.,Curmi, P.M.G. Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii. Commun Biol 2023 6 1158 1158 8EL3 37957226 Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 in a loose interface filament 2022-09-23 2023-10-25 Rathbone, H.W.,Laos, A.J.,Michie, K.A.,Iranmanesh, H.,Biazik, J.,Goodchild, S.C.,Thordarson, P.,Green, B.R.,Curmi, P.M.G. Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii. Commun Biol 2023 6 1158 1158 8EL4 37957226 Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 in a tight interface filament 2022-09-23 2023-10-25 Rathbone, H.W.,Laos, A.J.,Michie, K.A.,Iranmanesh, H.,Biazik, J.,Goodchild, S.C.,Thordarson, P.,Green, B.R.,Curmi, P.M.G. Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii. Commun Biol 2023 6 1158 1158 8EL5 37957226 Light harvesting phycobiliprotein HaPE555 from the cryptophyte Hemiselmis andersenii CCMP644 in an alternating tight to loose interface filament 2022-09-23 2023-10-25 Rathbone, H.W.,Laos, A.J.,Michie, K.A.,Iranmanesh, H.,Biazik, J.,Goodchild, S.C.,Thordarson, P.,Green, B.R.,Curmi, P.M.G. Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii. Commun Biol 2023 6 1158 1158 8ESF Crystal structure of human Nischarin PX and LRR domains with engineered mutations 2022-10-13 2023-10-25 Eldershaw, D.E.,Collins, B.M. Crystal structure of human Nischarin PX and LRR domains with engineered mutations To Be Published 0 0 0 0 8EVN Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with N-oxalylglycine (NOG) 2022-10-20 2023-10-25 Juan, T.-J.,Leung, I.,Squire, C.J. Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitors NOG and FG2216 To Be Published 0 0 0 0 8EVO Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitor FG2216 2022-10-20 2023-10-25 Juan, T.-J.,Leung, I.,Squire, C.J. Sulfatase from Mycobacterium tuberculosis (Rv3406) in complex with inhibitors NOG and FG2216 To Be Published 0 0 0 0 8TAY 37837941 The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid 2023-06-28 2023-10-25 Podgorski, M.N.,Lee, J.H.Z.,Harbort, J.S.,Nguyen, G.T.H.,Doherty, D.Z.,Donald, W.A.,Harmer, J.R.,Bruning, J.B.,Bell, S.G. Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant. J.Inorg.Biochem. 2023 249 112391 112391 8TNK 37837941 The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid 2023-08-02 2023-10-25 Podgorski, M.N.,Lee, J.H.Z.,Harbort, J.S.,Nguyen, G.T.H.,Doherty, D.Z.,Donald, W.A.,Harmer, J.R.,Bruning, J.B.,Bell, S.G. Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant. J.Inorg.Biochem. 2023 249 112391 112391 8ETX Ancestral PETase 55_547 2022-10-18 2023-11-01 Saunders, J.,Frkic, R.L.,Jackson, C.J. Ancestral PETase 55_547 To Be Published 0 0 0 0 8ETY Ancestral PETase 35_442 2022-10-18 2023-11-01 Saunders, J.,Frkic, R.L.,Jackson, C.J. Ancestral PETase 35_442 To Be Published 0 0 0 0 8ETZ Ancestral PETase 35_442 Mutant E13D 2022-10-18 2023-11-01 Saunders, J.,Frkic, R.L.,Jackson, C.J. Ancestral PETase 35_442 Mutant E13D To Be Published 0 0 0 0 8EU0 Ancestral PETase 35_442 Mutant E27Q 2022-10-18 2023-11-01 Saunders, J.,Frkic, R.L.,Jackson, C.J. Ancestral PETase 35_442 Mutant E27Q To Be Published 0 0 0 0 8EU1 Ancestral PETase 35_442 Mutant F93L 2022-10-18 2023-11-01 Saunders, J.,Frkic, R.L.,Jackson, C.J. Ancestral PETase 35_442 Mutant F93L To Be Published 0 0 0 0 8D2J 37871210 A novel insecticidal protein from ferns IPD113_Cow. 2022-05-30 2023-11-08 Wei, J.Z.,Lum, A.,Schepers, E.,Liu, L.,Weston, R.T.,McGinness, B.S.,Heckert, M.J.,Xie, W.,Kassa, A.,Bruck, D.,Rauscher, G.,Kapka-Kitzman, D.,Mathis, J.P.,Zhao, J.Z.,Sethi, A.,Barry, J.,Lu, A.L.,Brugliera, F.,Lee, E.L.,van derWeerden, N.L.,Eswar, N.,Maher, M.J.,Anderson, M.A. Novel insecticidal proteins from ferns resemble insecticidal proteins from Bacillus thuringiensis. Proc.Natl.Acad.Sci.USA 2023 120 0 0 8ED5 Crystal structure of loop deletion AioX mutant from Pseudorhizobium sp. str. NT-26 2022-09-03 2023-11-08 Maher, M.J.,Poddar, N. Investigating the interaction of the periplasmic arsenite-binding protein, AioX with the sensor histidine kinase, AioS from Pseudorhizobium banfieldii sp. str. NT-26 To Be Published 0 0 0 0 8QXW 38158756 HCMV DNA polymerase processivity factor UL44 unphosphorylated NLS 410-433 bound to mouse importin alpha 2 2023-10-25 2023-11-08 Cross, E.M.,Marin, O.,Ariawan, D.,Aragao, D.,Cozza, G.,Di Iorio, E.,Forwood, J.K.,Alvisi, G. Structural determinants of phosphorylation-dependent nuclear transport of HCMV DNA polymerase processivity factor UL44. Febs Lett. 2024 598 199 209 8QXX 38158756 HCMV DNA polymerase processivity factor UL44 phosphorylated NLS 410-433 bound to mouse importin alpha 2 2023-10-25 2023-11-08 Cross, E.M.,Marin, O.,Ariawan, D.,Aragao, D.,Cozza, G.,Di Iorio, E.,Forwood, J.K.,Alvisi, G. Structural determinants of phosphorylation-dependent nuclear transport of HCMV DNA polymerase processivity factor UL44. Febs Lett. 2024 598 199 209 8SLZ 37884510 Crystal structure of phosphorylated (T357/S358) human MLKL pseudokinase domain 2023-04-25 2023-11-08 Meng, Y.,Garnish, S.E.,Davies, K.A.,Black, K.A.,Leis, A.P.,Horne, C.R.,Hildebrand, J.M.,Hoblos, H.,Fitzgibbon, C.,Young, S.N.,Dite, T.,Dagley, L.F.,Venkat, A.,Kannan, N.,Koide, A.,Koide, S.,Glukhova, A.,Czabotar, P.E.,Murphy, J.M. Phosphorylation-dependent pseudokinase domain dimerization drives full-length MLKL oligomerization. Nat Commun 2023 14 6804 6804 8BIA Crystal structure of Scribble PDZ1 with PTHR 2022-11-02 2023-11-15 Stewart, B.Z.,Caria, S.,Humbert, P.O.,Kvansakul, M. Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published 0 0 0 0 8BJ0 Crystal structure of Scribble PDZ1 with PTHR 2022-11-03 2023-11-15 Stewart, B.Z.,Caria, S.,Humbert, P.O.,Kvansakul, M. Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published 0 0 0 0 8SXS Crystal structure of a Nudix hydrolase effector from Magnaporthe oryzae 2023-05-23 2023-11-22 McCombe, C.L.,Wegner, A.,Zamora, C.S.,Casanova, F.,Aditya, S.,Greenwood, J.R.,Wirtz, L.,de Paula, S.,England, E.,Shang, S.,Ericsson, D.J.,Oliveira-Garcia, E.,Williams, S.J.,Schaffrath, U. Plant pathogenic fungi hijack phosphate starvation signaling with conserved enzymatic effectors Biorxiv 2023 0 0 0 8U36 The crystal structure of the classical binding interface of Importin alpha 2 and a nuclear localisation signal sequence in Frog siadenovirus core protein VII 2023-09-07 2023-11-22 Athukorala, A.,Donnelly, C.M.,Forwood, J.K.,Sarker, S. Structural and functional characterization of nuclear localization signals of pVII protein of Frog siadenovirus To be published 0 0 0 0 8BNB Crystal structure of Trichoplax Scribble PDZ2 domain 2022-11-14 2023-11-29 Maddumage, J.C.,Humbert, P.O.,Kvansakul, M. Crystal structure of Trichoplax Scribble PDZ2 domain To be published 0 0 0 0 8BOJ Crystal structure of Trichoplax Scribble PDZ1 domain 2022-11-15 2023-11-29 Maddumage, J.C.,Humbert, P.O.,Kvansakul, M. Crystal structure of Trichoplax Pals1 PDZ1 with Trichoplax Crumbs peptide To be published 0 0 0 0 8BP4 Crystal structure of Trichoplax Scribble PDZ2 domain in complex with Trichoplax Vangl peptide 2022-11-16 2023-11-29 Maddumage, J.C.,Humbert, P.O.,Kvansakul, M. Crystal structure of Trichoplax Scribble PDZ2 domain in complex with Trichoplax Vangl peptide To be published 0 0 0 0 8BP5 Crystal structure of Trichoplax Dlg PDZ1 domain 2022-11-16 2023-11-29 Maddumage, J.C.,Humbert, P.O.,Kvansakul, M. Crystal structure of Trichoplax Dlg PDZ1 domain To be published 0 0 0 0 8BPM Crystal structure of Trichoplax Dlg PDZ3 domain 2022-11-17 2023-11-29 Maddumage, J.C.,Kvansakul, M.,Humbert, P.O. Crystal structure of Trichoplax Dlg PDZ3 domain To be published 0 0 0 0 8BQ8 Crystal structure of Trichoplax Dlg PDZ2 domain in complex with Trichoplax Vangl peptide 2022-11-20 2023-11-29 Madduamge, J.C.,Kvansakul, M.,Humbert, P.O. Crystal structure of Trichoplax Dlg PDZ2 domain in complex with Trichoplax Vangl peptide To Be Published 0 0 0 0 8DPU The crystal structure of the IL-11 signalling complex 2022-07-17 2023-11-29 Metcalfe, R.D.,Hanssen, E.,Fung, K.Y.,Aizel, K.,Kosasih, C.C.,Zlatic, C.O.,Doughty, L.,Morton, C.J.,Leis, A.P.,Parker, M.W.,Gooley, P.R.,Putoczki, T.L.,Griffin, M.D.W. Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant Nat Commun 2023 14 7543 0 8DPV The crystal structure of Interleukin-11, W147A mutant 2022-07-17 2023-11-29 Metcalfe, R.D.,Hanssen, E.,Fung, K.Y.,Aizel, K.,Kosasih, C.C.,Zlatic, C.O.,Doughty, L.,Morton, C.J.,Leis, A.P.,Parker, M.W.,Gooley, P.R.,Putoczki, T.L.,Griffin, M.D.W. Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant Nat Commun 2023 14 7543 0 8DPW The structure of Interleukin-11 Mutein 2022-07-17 2023-11-29 Metcalfe, R.D.,Hanssen, E.,Fung, K.Y.,Aizel, K.,Kosasih, C.C.,Zlatic, C.O.,Doughty, L.,Morton, C.J.,Leis, A.P.,Parker, M.W.,Gooley, P.R.,Putoczki, T.L.,Griffin, M.D.W. Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant Nat Commun 2023 14 7543 0 8F73 Crystal structure of Pseudomonas aeruginosa UDP-glucose phosphorylase in complex with UDP-glucose 2022-11-17 2023-11-29 Dirr, L.,Fuehring, J. Crystal structure of Pseudomonas aeruginosa UDP-glucose phosphorylase in complex with UDP-glucose To Be Published 0 0 0 0 8F73 Crystal structure of Pseudomonas aeruginosa UDP-glucose phosphorylase in complex with UDP-glucose 2022-11-17 2023-11-29 Dirr, L.,Fuehring, J. Crystal structure of Pseudomonas aeruginosa UDP-glucose phosphorylase in complex with UDP-glucose To Be Published 0 0 0 0 8F8F The structure of Rv2173 from M. tuberculosis (APO form) 2022-11-22 2023-11-29 Johnston, J.M.,Allison, T.M.,Titterington, J.,Beasley, C.P.H. The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms. To be Published 0 0 0 0 8F8K The structure of Rv2173 from M. tuberculosis with IPP bound 2022-11-22 2023-11-29 Johnston, J.M.,Allison, T.M.,Titterington, J.,Beasley, C.P.H. The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms. To be Published 0 0 0 0 8F8L The structure of Rv2173 from M. tuberculosis with DMAP bound 2022-11-22 2023-11-29 Johnston, J.M.,Allison, T.M.,Titterington, J.,Beasley, C.P.H. The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms. To be Published 0 0 0 0 8JVE 37979329 Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer 2023-06-28 2023-11-29 Anantharajan, J.,Tan, Q.W.,Fulwood, J.,Sifang, W.,Huang, Q.,Ng, H.Q.,Koh, X.,Xu, W.,Cherian, J.,Baburajendran, N.,Kang, C.,Ke, Z. Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer. Biochem.Biophys.Res.Commun. 2023 689 149238 149238 8JVL 37979329 Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer 2023-06-28 2023-11-29 Anantharajan, J.,Tan, Q.W.,Fulwood, J.,Sifang, W.,Huang, Q.,Ng, H.Q.,Koh, X.,Xu, W.,Cherian, J.,Baburajendran, N.,Kang, C.,Ke, Z. Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer. Biochem.Biophys.Res.Commun. 2023 689 149238 149238 8F9X Cyclase-PTE 2022-11-24 2023-12-06 Ji, D.,Frkic, R.L.,Jackson, C.J. Cyclase-PTE To Be Published 0 0 0 0 8GIC 38030603 A1 Tei + Hpg: Adenylation domain 1 core construct from teicoplanin biosynthesis; 4-hydroxyphenylglycine bound 2023-03-14 2023-12-06 Hansen, M.H.,Adamek, M.,Iftime, D.,Petras, D.,Schuseil, F.,Grond, S.,Stegmann, E.,Cryle, M.J.,Ziemert, N. Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides. Nat Commun 2023 14 7842 7842 8GJ4 38030603 A1 Tei: Adenylation domain 1 core construct from teicoplanin biosynthesis 2023-03-14 2023-12-06 Hansen, M.H.,Adamek, M.,Iftime, D.,Petras, D.,Schuseil, F.,Grond, S.,Stegmann, E.,Cryle, M.J.,Ziemert, N. Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides. Nat Commun 2023 14 7842 7842 8GJP 38030603 A1 Int graft: Adenylation domain 1 core construct from teicoplanin biosynthesis, intermediate selection pocket graft 2023-03-16 2023-12-06 Hansen, M.H.,Adamek, M.,Iftime, D.,Petras, D.,Schuseil, F.,Grond, S.,Stegmann, E.,Cryle, M.J.,Ziemert, N. Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides. Nat Commun 2023 14 7842 7842 8GKM 38030603 A1 Leu graft + Leu: Adenylation domain 1 core construct from teicoplanin biosynthesis, leucine selection pocket graft; leucine bound 2023-03-20 2023-12-06 Hansen, M.H.,Adamek, M.,Iftime, D.,Petras, D.,Schuseil, F.,Grond, S.,Stegmann, E.,Cryle, M.J.,Ziemert, N. Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides. Nat Commun 2023 14 7842 7842 8GLC 38030603 A1 AncAla: Adenylation domain 1 core construct from ancestral reconstruction of glycopeptide antibiotic biosynthesis, alanine selection pocket 2023-03-21 2023-12-06 Hansen, M.H.,Adamek, M.,Iftime, D.,Petras, D.,Schuseil, F.,Grond, S.,Stegmann, E.,Cryle, M.J.,Ziemert, N. Resurrecting ancestral antibiotics: unveiling the origins of modern lipid II targeting glycopeptides. Nat Commun 2023 14 7842 7842 8BUW Crystal structure of Trichoplax Scribble PDZ1 domain in complex with Trichoplax Vangl peptide 2022-12-01 2023-12-13 Maddumage, J.C.,Kvansakul, M.,Humbert, P.O. Crystal structure of Trichoplax Scribble PDZ1 domain in complex with Trichoplax Vangl peptide To Be Published 0 0 0 0 8BV7 Crystal structure of the Trichoplax Scribble PDZ1 domain in complex with the Trichoplax phosphorylated Vangl peptide 2022-12-02 2023-12-13 Maddumage, J.C.,Kvansakul, M.,Humbert, P.O. Crystal structure of Trichoplax Scribble PDZ1 domain in complex with Trichoplax the phosphorylated Vangl peptide To Be Published 0 0 0 0 8SOS 38040419 Human CD1d presenting sphingomyelin C24:1 in complex with VHH nanobody 1D17 2023-04-29 2023-12-13 Lameris, R.,Shahine, A.,Veth, M.,Westerman, B.,Godfrey, D.I.,Lutje Hulsik, D.,Brouwer, P.,Rossjohn, J.,de Gruijl, T.D.,van der Vliet, H.J. Enhanced CD1d phosphatidylserine presentation using a single-domain antibody promotes immunomodulatory CD1d-TIM-3 interactions. J Immunother Cancer 2023 11 0 0 8TQP 38054267 HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor 2023-08-08 2023-12-20 Xu, S.,Sun, L.,Barnett, M.,Zhang, X.,Ding, D.,Gattu, A.,Shi, D.,Taka, J.R.H.,Shen, W.,Jiang, X.,Cocklin, S.,De Clercq, E.,Pannecouque, C.,Goldstone, D.C.,Liu, X.,Dick, A.,Zhan, P. Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators. J.Med.Chem. 2023 66 16303 16329 8U1W 38005879 Structure of Norovirus (Hu/GII.4/Sydney/NSW0514/2012/AU) protease bound to inhibitor NV-004 2023-09-03 2023-12-20 Eruera, A.R.,McSweeney, A.M.,McKenzie-Goldsmith, G.M.,Opel-Reading, H.K.,Thomas, S.X.,Campbell, A.C.,Stubbing, L.,Siow, A.,Hubert, J.G.,Brimble, M.A.,Ward, V.K.,Krause, K.L. Crystal Structure of Inhibitor-Bound GII.4 Sydney 2012 Norovirus 3C-Like Protease. Viruses 2023 15 0 0 8G1T 38088212 Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P21 2023-02-02 2023-12-27 Miller, M.S.,Cowan, A.D.,Brouwer, J.M.,Smyth, S.T.,Peng, L.,Wardak, A.Z.,Uren, R.T.,Luo, C.,Roy, M.J.,Shah, S.,Tan, Z.,Reid, G.E.,Colman, P.M.,Czabotar, P.E. Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J. 2023 0 0 0 8SPE 38088212 Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31 2023-05-03 2023-12-27 Miller, M.S.,Cowan, A.D.,Brouwer, J.M.,Smyth, S.T.,Peng, L.,Wardak, A.Z.,Uren, R.T.,Luo, C.,Roy, M.J.,Shah, S.,Tan, Z.,Reid, G.E.,Colman, P.M.,Czabotar, P.E. Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J. 2023 0 0 0 8SPF 38088212 Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC 2023-05-03 2023-12-27 Miller, M.S.,Cowan, A.D.,Brouwer, J.M.,Smyth, S.T.,Peng, L.,Wardak, A.Z.,Uren, R.T.,Luo, C.,Roy, M.J.,Shah, S.,Tan, Z.,Reid, G.E.,Colman, P.M.,Czabotar, P.E. Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J. 2023 0 0 0 8SPZ 38088212 Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine 2023-05-04 2023-12-27 Miller, M.S.,Cowan, A.D.,Brouwer, J.M.,Smyth, S.T.,Peng, L.,Wardak, A.Z.,Uren, R.T.,Luo, C.,Roy, M.J.,Shah, S.,Tan, Z.,Reid, G.E.,Colman, P.M.,Czabotar, P.E. Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J. 2023 0 0 0 8SRX 38088212 Crystal structure of BAK-BAX heterodimer with lysoPC 2023-05-07 2023-12-27 Miller, M.S.,Cowan, A.D.,Brouwer, J.M.,Smyth, S.T.,Peng, L.,Wardak, A.Z.,Uren, R.T.,Luo, C.,Roy, M.J.,Shah, S.,Tan, Z.,Reid, G.E.,Colman, P.M.,Czabotar, P.E. Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J. 2023 0 0 0 8SRY 38088212 Crystal structure of BAK-BAX heterodimer with C12E8 2023-05-08 2023-12-27 Miller, M.S.,Cowan, A.D.,Brouwer, J.M.,Smyth, S.T.,Peng, L.,Wardak, A.Z.,Uren, R.T.,Luo, C.,Roy, M.J.,Shah, S.,Tan, Z.,Reid, G.E.,Colman, P.M.,Czabotar, P.E. Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J. 2023 0 0 0 8SVK 38088212 Crystal structure of Bax D71N core domain BH3-groove dimer 2023-05-16 2023-12-27 Miller, M.S.,Cowan, A.D.,Brouwer, J.M.,Smyth, S.T.,Peng, L.,Wardak, A.Z.,Uren, R.T.,Luo, C.,Roy, M.J.,Shah, S.,Tan, Z.,Reid, G.E.,Colman, P.M.,Czabotar, P.E. Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids. Febs J. 2023 0 0 0 8X72 The Crystal Structure of PLK1 from Biortus. 2023-11-22 2023-12-27 Wang, F.,Cheng, W.,Yuan, Z.,Lin, D.,Wu, B. The Crystal Structure of PLK1 from Biortus. To Be Published 0 0 0 0 8C1T Crystal structure of Trichoplax Dlg PDZ1 domain in complex with Trichoplax Vangl peptide 2022-12-21 2024-01-10 Maddumage, J.C.,Kvansakul, M. Crystal structure of Trichoplax Dlg PDZ1 domain in complex with Trichoplax Vangl peptide To be published 0 0 0 0 8U2M Structure of P450Blt from Micromonospora sp. MW-13 in Complex with Biarylitide 2023-09-06 2024-01-10 Hansen, M.H.,Keto, A.,Treisman, M.,Sasi, V.M.,Coe, L.,Zhao, Y.,Padva, L.,Hess, C.,Leichthammer, V.,Machell, D.L.,Schittenhelm, R.B.,Jackson, C.J.,Tailhades, J.,Crusemann, M.,De Voss, J.J.,Krenske, E.H.,Cryle, M.J. Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis Acs Catalysis 2024 0 812 826 8U3N Structure of P450Blt from Micromonospora sp. MW-13 2023-09-08 2024-01-10 Hansen, M.H.,Keto, A.,Treisman, M.,Sasi, V.M.,Coe, L.,Zhao, Y.,Padva, L.,Hess, C.,Leichthammer, V.,Machell, D.L.,Schittenhelm, R.B.,Jackson, C.J.,Tailhades, J.,Crusemann, M.,De Voss, J.J.,Krenske, E.H.,Cryle, M.J. Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis Acs Catalysis 2024 0 812 826 8UKZ Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation 2023-10-15 2024-01-10 Hansen, M.H.,Keto, A.,Treisman, M.,Sasi, V.M.,Coe, L.,Zhao, Y.,Padva, L.,Hess, C.,Leichthammer, V.,Machell, D.L.,Schittenhelm, R.B.,Jackson, C.J.,Tailhades, J.,Crusemann, M.,De Voss, J.J.,Krenske, E.H.,Cryle, M.J. Structural Insights into a Side Chain Cross-Linking Biarylitide P450 from RiPP Biosynthesis Acs Catalysis 2024 0 812 826 8FK9 Crystal Structure of the Tick Evasin EVA-ACA1001 Complexed to Human Chemokine CCL16 2022-12-21 2024-01-17 Devkota, S.R.,Bhusal, R.P.,Aryal, P.,Wilce, M.C.J.,Stone, M.J. Crystal Structure of the Tick Evasin EVA-ACA1001 Complexed to Human Chemokine CCL16 To Be Published 0 0 0 0 8UMO 38158698 Murine CD94-NKG2A receptor in complex with Qa-1b presenting AMAPRTLLL 2023-10-18 2024-01-17 MacLachlan, B.J.,Sullivan, L.C.,Brooks, A.G.,Rossjohn, J.,Vivian, J.P. Structure of the murine CD94-NKG2A receptor in complex with Qa-1 b presenting an MHC-I leader peptide. Febs J. 2023 0 0 0 8XN6 The Crystal Structure of GSK3b from Biortus. 2023-12-29 2024-01-24 Wang, F.,Cheng, W.,Yuan, Z.,Qi, J.,Wu, B. The Crystal Structure of GSK3b from Biortus. To Be Published 0 0 0 0 8XOX The Crystal Structure of FAK2 from Biortus. 2024-01-02 2024-01-24 Wang, F.,Cheng, W.,Lv, Z.,Ju, C.,Wang, J. The Crystal Structure of FAK2 from Biortus. To Be Published 0 0 0 0 8CD3 37430142 Crystal structure of human Scribble PDZ1 domain in complex with human TMIGD1 2023-01-30 2024-01-31 Thuring, E.M.,Hartmann, C.,Maddumage, J.C.,Javorsky, A.,Michels, B.E.,Gerke, V.,Banks, L.,Humbert, P.O.,Kvansakul, M.,Ebnet, K. Membrane recruitment of the polarity protein Scribble by the cell adhesion receptor TMIGD1. Commun Biol 2023 6 702 702 8U1V 38005879 Structure of Norovirus (Hu/GII.4/Sydney/NSW0514/2012/AU) protease in the ligand-free state 2023-09-03 2024-01-31 Eruera, A.R.,McSweeney, A.M.,McKenzie-Goldsmith, G.M.,Opel-Reading, H.K.,Thomas, S.X.,Campbell, A.C.,Stubbing, L.,Siow, A.,Hubert, J.G.,Brimble, M.A.,Ward, V.K.,Krause, K.L. Crystal Structure of Inhibitor-Bound GII.4 Sydney 2012 Norovirus 3C-Like Protease. Viruses 2023 15 0 0 8U6X 38245708 ATP-dependent DNA ligase Lig E from Neisseria gonorrhoeae 2023-09-14 2024-01-31 Pan, J.,Singh, A.,Hanning, K.,Hicks, J.,Williamson, A. A role for the ATP-dependent DNA ligase lig E of Neisseria gonorrhoeae in biofilm formation. Bmc Microbiol. 2024 24 29 29 8G32 Pro-form of a CDCL short from E. anophelis 2023-02-06 2024-02-07 Johnstone, B.A.,Christie, M.P.,Morton, C.J.,Tweten, R.K.,Parker, M.W. Pro-form of a CDCL short from E. anophelis To Be Published 0 0 0 0 8G33 Activated form of a CDCL long protein 2023-02-06 2024-02-07 Johnstone, B.A.,Christie, M.P.,Morton, C.J.,Tweten, R.K.,Parker, M.W. Activated form of a CDCL long protein To Be Published 0 0 0 0 8Q8K 38108201 KI Polyomavirus LTA NLS bound to importin alpha 2 2023-08-18 2024-02-07 Cross, E.M.,Akbari, N.,Ghassabian, H.,Hoad, M.,Pavan, S.,Ariawan, D.,Donnelly, C.M.,Lavezzo, E.,Petersen, G.F.,Forwood, J.K.,Alvisi, G. A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci. 2024 33 0 0 8TC7 38297033 Human asparaginyl-tRNA synthetase, apo form 2023-06-30 2024-02-07 Xie, S.C.,Wang, Y.,Morton, C.J.,Metcalfe, R.D.,Dogovski, C.,Pasaje, C.F.A.,Dunn, E.,Luth, M.R.,Kumpornsin, K.,Istvan, E.S.,Park, J.S.,Fairhurst, K.J.,Ketprasit, N.,Yeo, T.,Yildirim, O.,Bhebhe, M.N.,Klug, D.M.,Rutledge, P.J.,Godoy, L.C.,Dey, S.,De Souza, M.L.,Siqueira-Neto, J.L.,Du, Y.,Puhalovich, T.,Amini, M.,Shami, G.,Loesbanluechai, D.,Nie, S.,Williamson, N.,Jana, G.P.,Maity, B.C.,Thomson, P.,Foley, T.,Tan, D.S.,Niles, J.C.,Han, B.W.,Goldberg, D.E.,Burrows, J.,Fidock, D.A.,Lee, M.C.S.,Winzeler, E.A.,Griffin, M.D.W.,Todd, M.H.,Tilley, L. Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun 2024 15 937 937 8TC8 38297033 Human asparaginyl-tRNA synthetase bound to adenosine 5'-sulfamate 2023-06-30 2024-02-07 Xie, S.C.,Wang, Y.,Morton, C.J.,Metcalfe, R.D.,Dogovski, C.,Pasaje, C.F.A.,Dunn, E.,Luth, M.R.,Kumpornsin, K.,Istvan, E.S.,Park, J.S.,Fairhurst, K.J.,Ketprasit, N.,Yeo, T.,Yildirim, O.,Bhebhe, M.N.,Klug, D.M.,Rutledge, P.J.,Godoy, L.C.,Dey, S.,De Souza, M.L.,Siqueira-Neto, J.L.,Du, Y.,Puhalovich, T.,Amini, M.,Shami, G.,Loesbanluechai, D.,Nie, S.,Williamson, N.,Jana, G.P.,Maity, B.C.,Thomson, P.,Foley, T.,Tan, D.S.,Niles, J.C.,Han, B.W.,Goldberg, D.E.,Burrows, J.,Fidock, D.A.,Lee, M.C.S.,Winzeler, E.A.,Griffin, M.D.W.,Todd, M.H.,Tilley, L. Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun 2024 15 937 937 8TC9 38297033 Human asparaginyl-tRNA synthetase bound to OSM-S-106 2023-06-30 2024-02-07 Xie, S.C.,Wang, Y.,Morton, C.J.,Metcalfe, R.D.,Dogovski, C.,Pasaje, C.F.A.,Dunn, E.,Luth, M.R.,Kumpornsin, K.,Istvan, E.S.,Park, J.S.,Fairhurst, K.J.,Ketprasit, N.,Yeo, T.,Yildirim, O.,Bhebhe, M.N.,Klug, D.M.,Rutledge, P.J.,Godoy, L.C.,Dey, S.,De Souza, M.L.,Siqueira-Neto, J.L.,Du, Y.,Puhalovich, T.,Amini, M.,Shami, G.,Loesbanluechai, D.,Nie, S.,Williamson, N.,Jana, G.P.,Maity, B.C.,Thomson, P.,Foley, T.,Tan, D.S.,Niles, J.C.,Han, B.W.,Goldberg, D.E.,Burrows, J.,Fidock, D.A.,Lee, M.C.S.,Winzeler, E.A.,Griffin, M.D.W.,Todd, M.H.,Tilley, L. Reaction hijacking inhibition of Plasmodium falciparum asparagine tRNA synthetase. Nat Commun 2024 15 937 937 8TOQ 38085789 ACE2-peptide 1 complex 2023-08-03 2024-02-07 Bedding, M.J.,Franck, C.,Johansen-Leete, J.,Aggarwal, A.,Maxwell, J.W.C.,Patel, K.,Hawkins, P.M.E.,Low, J.K.K.,Siddiquee, R.,Sani, H.M.,Ford, D.J.,Turville, S.,Mackay, J.P.,Passioura, T.,Christie, M.,Payne, R.J. Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol. 2024 19 141 152 8TOR 38085789 ACE2-peptide 2 complex 2023-08-03 2024-02-07 Bedding, M.J.,Franck, C.,Johansen-Leete, J.,Aggarwal, A.,Maxwell, J.W.C.,Patel, K.,Hawkins, P.M.E.,Low, J.K.K.,Siddiquee, R.,Sani, H.M.,Ford, D.J.,Turville, S.,Mackay, J.P.,Passioura, T.,Christie, M.,Payne, R.J. Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol. 2024 19 141 152 8TOS 38085789 ACE2-peptide 6 complex 2023-08-03 2024-02-07 Bedding, M.J.,Franck, C.,Johansen-Leete, J.,Aggarwal, A.,Maxwell, J.W.C.,Patel, K.,Hawkins, P.M.E.,Low, J.K.K.,Siddiquee, R.,Sani, H.M.,Ford, D.J.,Turville, S.,Mackay, J.P.,Passioura, T.,Christie, M.,Payne, R.J. Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol. 2024 19 141 152 8TOT 38085789 ACE2-peptide2 complex crystal form 2 2023-08-03 2024-02-07 Bedding, M.J.,Franck, C.,Johansen-Leete, J.,Aggarwal, A.,Maxwell, J.W.C.,Patel, K.,Hawkins, P.M.E.,Low, J.K.K.,Siddiquee, R.,Sani, H.M.,Ford, D.J.,Turville, S.,Mackay, J.P.,Passioura, T.,Christie, M.,Payne, R.J. Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol. 2024 19 141 152 8TOU 38085789 ACE2-peptide 2 complex crystal form 3 2023-08-04 2024-02-07 Bedding, M.J.,Franck, C.,Johansen-Leete, J.,Aggarwal, A.,Maxwell, J.W.C.,Patel, K.,Hawkins, P.M.E.,Low, J.K.K.,Siddiquee, R.,Sani, H.M.,Ford, D.J.,Turville, S.,Mackay, J.P.,Passioura, T.,Christie, M.,Payne, R.J. Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity. Acs Chem.Biol. 2024 19 141 152 8TUQ 38108201 STL Polyomavirus LTA NLS bound to importin alpha 2 2023-08-17 2024-02-07 Cross, E.M.,Akbari, N.,Ghassabian, H.,Hoad, M.,Pavan, S.,Ariawan, D.,Donnelly, C.M.,Lavezzo, E.,Petersen, G.F.,Forwood, J.K.,Alvisi, G. A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci. 2024 33 0 0 8TUR 38108201 Merkel Cell Polyomavirus LTA bipartite NLS bound to importin alpha 2 2023-08-17 2024-02-07 Cross, E.M.,Akbari, N.,Ghassabian, H.,Hoad, M.,Pavan, S.,Ariawan, D.,Donnelly, C.M.,Lavezzo, E.,Petersen, G.F.,Forwood, J.K.,Alvisi, G. A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci. 2024 33 0 0 8TUS 38108201 WU Polyomavirus LTA NLS bound to importin alpha 2 2023-08-17 2024-02-07 Cross, E.M.,Akbari, N.,Ghassabian, H.,Hoad, M.,Pavan, S.,Ariawan, D.,Donnelly, C.M.,Lavezzo, E.,Petersen, G.F.,Forwood, J.K.,Alvisi, G. A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci. 2024 33 0 0 8TUT 38108201 Merkel Cell Polyomavirus LTA NLSct bound to importin alpha 2 2023-08-17 2024-02-07 Cross, E.M.,Akbari, N.,Ghassabian, H.,Hoad, M.,Pavan, S.,Ariawan, D.,Donnelly, C.M.,Lavezzo, E.,Petersen, G.F.,Forwood, J.K.,Alvisi, G. A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci. 2024 33 0 0 8TUV 38108201 Merkel Cell Polyomavirus LTA NLSm bound to importin alpha 2 2023-08-17 2024-02-07 Cross, E.M.,Akbari, N.,Ghassabian, H.,Hoad, M.,Pavan, S.,Ariawan, D.,Donnelly, C.M.,Lavezzo, E.,Petersen, G.F.,Forwood, J.K.,Alvisi, G. A functional and structural comparative analysis of large tumor antigens reveals evolution of different importin alpha-dependent nuclear localization signals. Protein Sci. 2024 33 0 0 8G0N FphI, Staphylococcus aureus fluorophosphonate-binding serine hydrolases I, apo form 2023-01-31 2024-02-14 Fellner, M. FphI, Staphylococcus aureus fluorophosphonate-binding serine hydrolases I, apo form To Be Published 0 0 0 0 8G48 FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, dimeric apo form 2023-02-08 2024-02-21 Fellner, M. FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, dimeric apo form To Be Published 0 0 0 0 8G49 FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3 bound 2023-02-08 2024-02-21 Fellner, M.,Bakker, A.T.,Martin, N.I.,Stelt, M. FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone compound 3 bound To be published 0 0 0 0 8G8Q RelB NLS in complex with Importin alpha 2 2023-02-19 2024-02-21 Tsimbslyuk, S.,Stewart, M.,Forwood, J.K. p52 monopartite NLS in complex with Importin alpha 2 To Be Published 0 0 0 0 8G8R RelB NLS in complex with Importin alpha 2 2023-02-19 2024-02-21 Tsimbslyuk, S.,Stewart, M.,Forwood, J.K. monopartite p52 NLS in complex with Importin alpha 2 To Be Published 0 0 0 0 8G8S bipartite p52 NLS in complex with Importin alpha 2 2023-02-19 2024-02-21 Tsimbslyuk, S.,Stewart, M.,Forwood, J.K. p52 bipartite NLS in complex with Importin alpha 2 To Be Published 0 0 0 0 8TBP 38321013 HLA-DRB1*15:01 in complex with smith antigen 2023-06-29 2024-02-21 Eggenhuizen, P.J.,Cheong, R.M.Y.,Lo, C.,Chang, J.,Ng, B.H.,Ting, Y.T.,Monk, J.A.,Loh, K.L.,Broury, A.,Tay, E.S.V.,Shen, C.,Zhong, Y.,Lim, S.,Chung, J.X.,Kandane-Rathnayake, R.,Koelmeyer, R.,Hoi, A.,Chaudhry, A.,Manzanillo, P.,Snelgrove, S.L.,Morand, E.F.,Ooi, J.D. Smith-specific regulatory T cells halt the progression of lupus nephritis. Nat Commun 2024 15 899 899 8UCE 38421610 Thermophilic RNA Ligase from Palaeococcus pacificus + AMP 2023-09-26 2024-02-21 Rousseau, M.,Oulavallickal, T.,Williamson, A.,Arcus, V.,Patrick, W.M.,Hicks, J. Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res. 2024 0 0 0 8UCF 38421610 Thermophilic RNA Ligase from Palaeococcus pacificus K238G 2023-09-26 2024-02-21 Rousseau, M.,Oulavallickal, T.,Williamson, A.,Arcus, V.,Patrick, W.M.,Hicks, J. Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res. 2024 0 0 0 8UCG 38421610 Thermophilic RNA Ligase from Palaeococcus pacificus K92A 2023-09-26 2024-02-21 Rousseau, M.,Oulavallickal, T.,Williamson, A.,Arcus, V.,Patrick, W.M.,Hicks, J. Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res. 2024 0 0 0 8UCH 38421610 Thermophilic RNA Ligase from Palaeococcus pacificus K92A + ATP 2023-09-26 2024-02-21 Rousseau, M.,Oulavallickal, T.,Williamson, A.,Arcus, V.,Patrick, W.M.,Hicks, J. Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res. 2024 0 0 0 8UCI 38421610 Thermophilic RNA Ligase from Palaeococcus pacificus K238G + AMP 2023-09-26 2024-02-21 Rousseau, M.,Oulavallickal, T.,Williamson, A.,Arcus, V.,Patrick, W.M.,Hicks, J. Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus. Nucleic Acids Res. 2024 0 0 0 8G8P 38346985 F420-2/GTP(GDP) complex of F420-gamma glutamyl ligase (CofE) from Archaeoglobus fulgidus 2023-02-18 2024-02-28 Bashiri, G.,Bulloch, E.M.M.,Bramley, W.R.,Davidson, M.,Stuteley, S.M.,Young, P.G.,Harris, P.W.R.,Naqvi, M.S.H.,Middleditch, M.J.,Schmitz, M.,Chang, W.C.,Baker, E.N.,Squire, C.J. Poly-gamma-glutamylation of biomolecules. Nat Commun 2024 15 1310 1310 8JVD 38358126 Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening 2023-06-28 2024-02-28 Loh, Y.Y.,Anantharajan, J.,Huang, Q.,Xu, W.,Fulwood, J.,Ng, H.Q.,Ng, E.Y.,Gea, C.Y.,Choong, M.L.,Tan, Q.W.,Koh, X.,Lim, W.H.,Nacro, K.,Cherian, J.,Baburajendran, N.,Ke, Z.,Kang, C. Identification of small-molecule binding sites of a ubiquitin-conjugating enzyme-UBE2T through fragment-based screening. Protein Sci. 2024 33 0 0 8T87 38411555 FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, unbound dimer crystal form 1 2023-06-22 2024-03-06 Jo, J.,Upadhyay, T.,Woods, E.C.,Park, K.W.,Pedowitz, N.J.,Jaworek-Korjakowska, J.,Wang, S.,Valdez, T.A.,Fellner, M.,Bogyo, M. Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections. J.Am.Chem.Soc. 2024 146 6880 6892 8XX1 The Crystal Structure of MAPKAP kinase 2 domain from Biortus 2024-01-17 2024-03-06 Wang, F.,Cheng, W.,Lv, Z.,Ju, C.,Ni, C. The Crystal Structure of MAPKAP kinase 2 domain from Biortus To Be Published 0 0 0 0 8TUB HLA B7:02 with HPNGYKSLSTL 2023-08-16 2024-03-13 Menon, T.,Illing, P.T.,Chaurasia, P.,McQuilten, H.A.,Shepherd, C.,Rowntree, L.C.,Petersen, J.,Littler, D.R.,Khuu, G.,Huang, Z.,Allen, L.F.,Rockman, S.,Crowe, J.,Flanagan, K.L.,Wakim, L.M.,Nguyen, T.H.O.,Mifsud, N.A.,Rossjohn, J.,Purcell, A.W.,van de Sandt, C.E.,Kedzierska, K. Prominent CD8+ T cell responses are directed at novel conserved influenza B virus epitopes across anatomical sites and age groups To Be Published 0 0 0 0 8TUH HLA B7:02 with RPIIRPATL 2023-08-16 2024-03-13 Menon, T.,Illing, P.T.,Chaurasia, P.,McQuilten, H.A.,Shepherd, C.,Rowntree, L.C.,Petersen, J.,Littler, D.R.,Khuu, G.,Huang, Z.,Allen, L.F.,Rockman, S.,Crowe, J.,Flanagan, K.L.,Wakim, L.M.,Nguyen, T.H.O.,Mifsud, N.A.,Rossjohn, J.,Purcell, A.W.,van de Sandt, C.E.,Kedzierska, K. Prominent CD8+ T cell responses are directed at novel conserved influenza B virus epitopes across anatomical sites and age groups To Be Published 0 0 0 0 8GEK Dihydrodipicolinate synthase with pyruvate from Candidatus Liberibacter solanacearum 2023-03-06 2024-03-20 Gilkes, J.M.,Frampton, R.A.,Board, A.,Sheen, C.R.,Smith, G.R.,Dobson, R.C.J. Dihydrodipicolinate synthase with pyruvate from the plant pathogen, Candidatus Liberibacter solanacearum To Be Published 0 0 0 0 8VEC Deep Mutational Scanning of SARS-CoV-2 PLpro 2023-12-18 2024-03-20 Wu, X.,Go, M.,Nguyen, J.V.,Kuchel, N.W.,Lu, B.G.C.,Lowes, K.N.,Calleja, D.J.,Mitchell, J.P.,Lessene, G.,Komander, D.,Call, M.E.,Call, M.J. Mutational Profiling of SARS-CoV-2 PLpro in human cells reveals requirements for function, structure, and drug escape Biorxiv 2024 0 0 0 8EMG Crystal structure of a HLA-B*35:01-NP7 epitope from 2002 H2N1 influenza strain 2022-09-27 2024-03-27 Quinones-Parra, S.,Littler, D.R.,Rossjohn, J.,Kedzierska, K. Molecular determinants of cross-strain influenza A virus recognition by T-cell receptors To Be Published 0 0 0 0 8EMI Crystal structure of a HLA-B*35:01-NP8 epitope from 2005 H1N1 influenza strain 2022-09-27 2024-03-27 Quinones-Parra, S.,Littler, D.R.,Rossjohn, J.,Kedzierska, K. Molecular determinants of cross-strain influenza A virus recognition by T-cell receptors To Be Published 0 0 0 0 8EMJ Crystal structure of HLA-B*35:01-NP9 epitope from 2006 H1N1 influenza strain 2022-09-27 2024-03-27 Quinones-Parra, S.,Littler, D.R.,Rossjohn, J.,Kedzierska, K. Molecular determinants of cross-strain influenza A virus recognition by T-cell receptors To Be Published 0 0 0 0 8EMK Crystal structure of HLA-B*35:01-NP3 epitope from 1957 H2N2 influenza strain 2022-09-27 2024-03-27 Quinones-Parra, S.M.,Littler, D.R.,Rossjohn, J.,Kedzierska, K. Molecular determinants of cross-strain influenza A virus recognition by T-cell receptors To Be Published 0 0 0 0 8EN8 Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP4 epitope from 1972 influenza strain 2022-09-29 2024-03-27 Quinones-Parra, S.M.,Littler, D.R.,Rossjohn, J.,Kedzierska, K. Molecular determinants of cross-strain influenza A virus recognition by T-cell receptors To Be Published 0 0 0 0 8ENH Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP7 epitope from 2002 H3N2 influenza strain 2022-09-30 2024-03-27 Quinones-Parra, S.M.,Littler, D.R.,Rossjohn, J.,Kedzierska, K. Molecular determinants of cross-strain influenza A virus recognition by T-cell receptors To Be Published 0 0 0 0 8EO8 Cross-reactive 3180 TCR recognition of HLA-B*35:01-NP8 epitope from 2005 H1N1 influenza strain 2022-10-02 2024-03-27 Quinones-Parra, S.M.,Littler, D.R.,Rossjohn, J.,Kedzierska, K. Molecular determinants of cross-strain influenza A virus recognition by T-cell receptors To Be Published 0 0 0 0 8FRT 38377192 X-ray crystal structure of the N-terminal region from HCMV US11 binding to HLA-A*02:01 2023-01-08 2024-03-27 Zimmermann, C.,Watson, G.M.,Bauersfeld, L.,Berry, R.,Ciblis, B.,Lan, H.,Gerke, C.,Oberhardt, V.,Fuchs, J.,Hofmann, M.,Freund, C.,Rossjohn, J.,Momburg, F.,Hengel, H.,Halenius, A. Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids. Proc.Natl.Acad.Sci.USA 2024 121 0 0 8FU4 38377192 HCMV US11 peptide binding to HLA-A*02:01 2023-01-16 2024-03-27 Zimmermann, C.,Watson, G.M.,Bauersfeld, L.,Berry, R.,Ciblis, B.,Lan, H.,Gerke, C.,Oberhardt, V.,Fuchs, J.,Hofmann, M.,Freund, C.,Rossjohn, J.,Momburg, F.,Hengel, H.,Halenius, A. Diverse cytomegalovirus US11 antagonism and MHC-A evasion strategies reveal a tit-for-tat coevolutionary arms race in hominids. Proc.Natl.Acad.Sci.USA 2024 121 0 0