PDB_ID PUBMED_CID STRUCTURE TITLE DEPOSITION DATE RELEASE DATE AUTHORS CITATION TITLE JOURNAL YEAR VOLUME FIRST PAGE LAST PAGE 1FIZ 11080640 THREE DIMENSIONAL STRUCTURE OF BETA-ACROSIN FROM BOAR SPERMATOZOA 2000-08-07 2000-11-08 Tranter, R.,Read, J.A.,Jones, R.,Brady, R.L. Effector sites in the three-dimensional structure of mammalian sperm beta-acrosin. Structure Fold.Des. 2000 8 1179 1188 1H8U 11319227 Crystal Structure of the Eosinophil Major Basic Protein at 1.8A: An Atypical Lectin with a Paradigm Shift in Specificity 2001-02-15 2001-07-17 Swaminathan, G.J.,Weaver, A.J.,Loegering, D.A.,Checkel, J.L.,Leonidas, D.D.,Gleich, G.J.,Acharya, K.R. Crystal Structure of the Eosinophil Major Basic Protein at 1.8A. An Atypical Lectin with a Paradigm Shift in Specificity J.Biol.Chem. 2001 276 26197 0 1H70 11473257 DDAH FROM PSEUDOMONAS AERUGINOSA. C249S MUTANT COMPLEXED WITH CITRULLINE 2001-06-30 2001-08-02 Murray-Rust, J.,Leiper, J.,McAlister, M.,Phelan, J.,Tilley, S.,Santa Maria, J.,Vallance, P.,McDonald, N. Structural insights into the hydrolysis of cellular nitric oxide synthase inhibitors by dimethylarginine dimethylaminohydrolase. Nat. Struct. Biol. 2001 8 679 683 1H6G 11447106 alpha-catenin M-domain 2001-06-14 2001-08-07 Yang, J.,Dokurno, P.,Tonks, N.K.,Barford, D. Crystal Structure of the M-Fragment of Alpha-Catenin: Implications for Modulation of Cell Adhesion. Embo J. 2001 20 3645 0 1JOU 12679024 Crystal Structure of Native S195A Thrombin with an Unoccupied Active Site 2001-07-31 2001-08-10 Huntington, J.A.,Esmon, C.T. The molecular basis of thrombin allostery revealed by a 1.8A structure of the slow form Structure 2003 11 469 479 1GMN 11597998 CRYSTAL STRUCTURES OF NK1-HEPARIN COMPLEXES REVEAL THE BASIS FOR NK1 ACTIVITY AND ENABLE ENGINEERING OF POTENT AGONISTS OF THE MET RECEPTOR 2001-09-19 2001-10-02 Lietha, D.,Chirgadze, D.Y.,Mulloy, B.,Blundell, T.L.,Gherardi, E. Crystal Structures of Nk1-Heparin Complexes Reveal the Basis for Nk1 Activity and Enable Engineering of Potent Agonists of the met Receptor Embo J. 2001 20 5543 0 1GNU 11729197 GABA(A) receptor associated protein GABARAP 2001-10-09 2001-12-03 Knight, D.,Harris, R.,Mcalister, M.,Phelan, J.,Geddes, S.,Moss, S.,Driscoll, P.C.,Keep, N.H. The X-Ray Crystal Structure and Putative Ligand-Derived Peptide Binding Properties of Gamma-Aminobutyric Acid Receptor Type a Receptor-Associated Protein J.Biol.Chem. 2002 277 5556 0 1HCF 11738045 Crystal structure of TrkB-d5 bound to neurotrophin-4/5 2001-05-03 2001-12-06 Banfield, M.J.,Naylor, R.L.,Robertson, A.G.S.,Allen, S.J.,Dawbarn, D.,Brady, R.L. Specificity in Trk-Receptor:Neurotrophin Interaction: The Crystal Structure of Trkb-D5 in Complex with Neurotrophin-4/5 Structure 2001 9 1191 0 1LJ5 1.8A Resolution Structure of Latent Plasminogen Activator Inhibitor-1(PAI-1) 2002-04-19 2002-05-08 0 0 0 0 1KN3 12037323 Murine PEBP-2 (phosphatidylethanolamine-binding protein-2) 2001-12-18 2002-06-12 Simister, P.C.,Banfield, M.J.,Brady, R.L. The crystal structure of PEBP-2, a homologue of the PEBP/RKIP family. Acta Crystallogr.,Sect.D 2002 58 1077 1080 1GKA 12119396 The molecular basis of the coloration mechanism in lobster shell. beta-crustacyanin at 3.2 A resolution 2001-08-10 2002-08-08 Cianci, M.,Rizkallah, P.,Olczak, A.,Raftery, J.,Chayen, N.,Zagalsky, P.,Helliwell, J. The Molecular Basis of the Coloration Mechanism in Lobster Shell: Beta -Crustacyanin at 3.2-A Resolution Proc.Natl.Acad.Sci.USA 2002 99 9795 0 1GV7 12173935 ARH-I, an angiogenin/RNase A chimera 2002-02-06 2002-08-22 Holloway, D.E.,Shapiro, R.,Hares, M.C.,Leonidas, D.D.,Acharya, K.R. Guest-Host Crosstalk in an Angiogenin-RNase A Chimeric Protein Biochemistry 2002 41 10482 0 1JMJ 12169660 Crystal Structure of Native Heparin Cofactor II 2001-07-18 2002-08-30 Baglin, T.P.,Carrell, R.W.,Church, F.C.,Esmon, C.T.,Huntington, J.A. Crystal structures of native and thrombin-complexed heparin cofactor II reveal a multistep allosteric mechanism. Proc.Natl.Acad.Sci.USA 2002 99 11079 11084 1JMO 12169660 Crystal Structure of the Heparin Cofactor II-S195A Thrombin Complex 2001-07-19 2002-08-30 Baglin, T.P.,Carrell, R.W.,Church, F.C.,Esmon, C.T.,Huntington, J.A. Crystal structures of native and thrombin-complexed heparin cofactor II reveal a multistep allosteric mechanism. Proc.Natl.Acad.Sci.USA 2002 99 11079 11084 1H0P 12215411 Cyclophilin_5 from C. elegans 2002-06-26 2002-09-12 Picken, N.C.,Eschenlauer, S.,Taylor, P.,Page, A.P.,Walkinshaw, M.D. Structural and Biological Characterisation of the Gut-Associated Cyclophilin B Isoforms from Caenorhabditis Elegans J.Mol.Biol. 2002 322 15 0 1JI3 12417199 CRYSTAL STRUCTURE OF THE FIRST THERMOSTABLE BACTERIAL LIPASE FROM BACILLUS STEAROTHERMOPHILUS 2001-06-29 2002-11-01 Tyndall, J.D.A.,Sinchaikul, S.,Fothergill-Gilmore, L.A.,Taylor, P.,Walkinshaw, M.D. Crystal Structure of a Thermostable Lipase from Bacillus stearothermophilus P1 J.Mol.Biol. 2002 323 859 869 1H2Z 12202494 PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, S554A MUTANT WITH BOUND PEPTIDE LIGAND SUC-GLY-PRO 2002-08-20 2002-11-11 Szeltner, Z.,Rea, D.,Renner, V.,Fulop, V.,Polgar, L. Electrostatic Effects and Binding Determinants in the Catalysis of Prolyl Oligopeptidase: Site Specific Mutagenesis at the Oxyanion Binding Site J.Biol.Chem. 2002 277 42613 0 1O8A 12540854 Crystal Structure of Human Angiotensin Converting Enzyme (Native). 2002-11-26 2003-02-07 Natesh, R.,Schwager, S.L.,Sturrock, E.D.,Acharya, K.R. Crystal structure of the human angiotensin-converting enzyme-lisinopril complex. Nature 2003 421 551 554 1JBO 12615541 The 1.45A Three-Dimensional Structure of c-Phycocyanin from the Thermophylic Cyanobacterium Synechococcus elongatus 2002-05-02 2003-03-18 Nield, J.,Rizkallah, P.J.,Barber, J.,Chayen, N.E. The 1.45A three-dimensional structure of C-phycocyanin from the thermophilic cyanobacterium Synechococcus elongatus J.STRUCT.BIOL. 2003 141 149 155 1GWV 12011052 ALPHA-,1,3 GALACTOSYLTRANSFERASE - LACTOSE COMPLEX 2002-03-26 2003-03-20 Boix, E.,Zhang, Y.,Swaminathan, G.J.,Brew, K.,Acharya, K.R. Structural Basis of Ordered Binding of Donor and Acceptor Substrates to the Retaining Glycosyltransferase, Alpha -1,3 Galactosyltransferase J.Biol.Chem. 2002 277 28310 0 1H03 12499389 Human CD55 domains 3 & 4 2002-06-11 2003-03-20 Williams, P.,Chaudhry, Y.,Goodfellow, I.,Billington, J.,Powell, R.,Spiller, O.,Evans, D.J.,Lea, S.M. Mapping Cd55 Function. The Structure of Two Pathogen-Binding Domains at 1.7 A J.Biol.Chem. 2003 278 10691 0 1O6P 12372823 Importin Beta bound to a GLFG Nucleoporin peptide 2002-10-10 2003-04-24 Bayliss, R.,Littlewood, T.,Strawn, L.A.,Wente, S.R.,Stewart, M. Glfg and Fxfg Nucleoporins Bind to Overlapping Sites on Importin-Beta J.Biol.Chem. 2002 277 50597 0 1O7Z 12737818 Crystal structure of IP-10 T-form 2002-11-20 2003-05-08 Swaminathan, G.J.,Holloway, D.E.,Colvin, R.A.,Campanella, G.K.,Papageorgiou, A.C.,Luster, A.D.,Acharya, K.R. Crystal Structures of Oligomeric Forms of the Ip-10/Cxcl10 Chemokine Structure 2003 11 521 0 1O80 12737818 Crystal structure of IP-10 H-Form 2002-11-20 2003-05-08 Swaminathan, G.J.,Holloway, D.E.,Colvin, R.A.,Campanella, G.K.,Papageorgiou, A.C.,Luster, A.D.,Acharya, K.R. Crystal Structures of Oligomeric Forms of the Ip-10/Cxcl10 Chemokine Structure 2003 11 521 0 1NPH 12742020 Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions 2003-01-17 2003-05-13 Kolappan, S.,Gooch, J.T.,Weeds, A.G.,McLaughlin, P.J. Gelsolin Domains 4-6 in Active, Actin-Free Conformation Identifies Sites of Regulatory Calcium Ions J.Mol.Biol. 2003 329 85 92 1JVQ 15342247 Crystal structure at 2.6A of the ternary complex between antithrombin, a P14-P8 reactive loop peptide, and an exogenous tetrapeptide 2001-08-31 2003-06-03 Zhou, A.,Stein, P.E.,Huntington, J.A.,Sivasothy, P.,Lomas, D.A.,Carrell, R.W. How small peptides block and reverse serpin polymerisation J.Mol.Biol. 2004 342 931 941 1OES 12802339 Oxidation state of protein tyrosine phosphatase 1B 2003-03-31 2003-06-12 van Montfort, R.L.,Congreve, M.,Tisi, D.,Carr, R.,Jhoti, H. Oxidation state of the active-site cysteine in protein tyrosine phosphatase 1B. Nature 2003 423 773 777 1NZC 12791259 The high resolution structures of RmlC from Streptococcus suis in complex with dTDP-D-xylose 2003-02-17 2003-06-24 Dong, C.,Major, L.L.,Allen, A.,Blankenfeldt, W.,Maskell, D.,Naismith, J.H. High-Resolution Structures of RmlC from Streptococcus suis in Complex with Substrate Analogs Locate the Active Site of This Class of Enzyme Structure 2003 11 715 723 1PW9 12888356 High resolution crystal structure of an active recombinant fragment of human lung surfactant protein D 2003-07-01 2003-08-05 Shrive, A.K.,Tharia, H.A.,Strong, P.,Kishore, U.,Burns, I.,Rizkallah, P.J.,Reid, K.B.,Greenhough, T.J. High resolution structural insights into ligand binding and immune cell recognition by human lung surfactant protein D J.Mol.Biol. 2003 331 509 523 1PWB 12888356 High resolution crystal structure of an active recombinant fragment of human lung surfactant protein D with maltose 2003-07-01 2003-08-05 Shrive, A.K.,Tharia, H.A.,Strong, P.,Kishore, U.,Burns, I.,Rizkallah, P.J.,Reid, K.B.,Greenhough, T.J. High-resolution structural insights into ligand binding and immune cell recognition by human lung surfactant protein D J.Mol.Biol. 2003 331 509 523 1OC4 12967707 Lactate dehydrogenase from Plasmodium berghei 2003-02-05 2003-09-18 Winter, V.J.,Cameron, A.,Tranter, R.,Sessions, R.B.,Brady, R.L. Crystal Structure of Plasmodium Berghei Lactate Dehydrogenase Indicates the Unique Structural Differences of These Enzymes are Shared Across the Plasmodium Genus Mol.Biochem.Parasitol. 2003 131 1 0 1MH5 12948492 The Structure Of The Complex Of The Fab Fragment Of The Esterolytic Antibody MS6-164 and A Transition-State Analog 2002-08-19 2003-09-23 Ruzheinikov, S.N.,Muranova, T.A.,Sedelnikova, S.E.,Partridge, L.J.,Blackburn, G.M.,Murray, I.A.,Kakinuma, H.,Takashi, N.,Shimazaki, K.,Sun, J.,Nishi, Y.,Rice, D.W. High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity J.Mol.Biol. 2003 332 423 435 1MJJ 12948492 HIGH RESOLUTION CRYSTAL STRUCTURE OF THE COMPLEX OF THE FAB FRAGMENT OF ESTEROLYTIC ANTIBODY MS6-12 AND A TRANSITION-STATE ANALOG 2002-08-28 2003-09-23 Ruzheinikov, S.N.,Muranova, T.A.,Sedelnikova, S.E.,Partridge, L.J.,Blackburn, G.M.,Murray, I.A.,Kakinuma, H.,Takashi, N.,Shimazaki, K.,Sun, J.,Nishi, Y.,Rice, D.W. High-resolution crystal structure of the Fab-fragments of a family of mouse catalytic antibodies with esterase activity J.Mol.Biol. 2003 332 423 435 1NQ9 12873131 Crystal Structure of Antithrombin in the Pentasaccharide-Bound Intermediate State 2003-01-21 2003-09-30 Johnson, D.J.D.,Huntington, J.A. Crystal Structure of Antithrombin in a Heparin-Bound Intermediate State Biochemistry 2003 42 8712 8719 1UOQ 14514675 PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, S554A MUTANT WITH BOUND PEPTIDE LIGAND GLU-PHE-SER-PRO 2003-09-22 2003-10-02 Szeltner, Z.,Rea, D.,Renner, V.,Juliano, L.,Fulop, V.,Polgar, L. Electrostatic Environment at the Active Site of Prolyl Oligopeptidase is Highly Influential During Substrate Binding J.Biol.Chem. 2003 278 48786 0 1UMW 14532005 Structure of a human Plk1 Polo-box domain/phosphopeptide complex 2003-08-29 2003-10-16 Elia, A.,Rellos, P.,Haire, L.,Chao, J.,Ivins, F.,Hoepker, K.,Mohammad, D.,Cantley, L.,Smerdon, S.J.,Yaffe, M.B. The Molecular Basis for Phosphodependent Substrate Targeting and Regulation of Plks by the Polo-Box Domain Cell(Cambridge,Mass.) 2003 115 83 0 1URC 15455144 Cyclin A binding groove inhibitor Ace-Arg-Lys-Leu-Phe-Gly 2003-10-28 2003-10-31 Andrews, M.J.,McInnes, C.,Kontopidis, G.,Innes, L.,Cowan, A.,Plater, A.,Fischer, P.M. Design, synthesis, biological activity and structural analysis of cyclic peptide inhibitors targeting the substrate recruitment site of cyclin-dependent kinase complexes. Org. Biomol. Chem. 2004 2 2735 2741 1PT0 14633979 Unprocessed Pyruvoyl Dependent Aspartate Decarboxylase with an Alanine insertion at position 26 2003-06-22 2003-11-11 Schmitzberger, F.,Kilkenny, M.L.,Lobley, C.M.C.,Webb, M.E.,Vinkovic, M.,Matak-Vinkovic, D.,Witty, M.,Chirgadze, D.Y.,Smith, A.G.,Abell, C.,Blundell, T.L. Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase Embo J. 2003 22 6193 6204 1PT1 14633979 Unprocessed Pyruvoyl Dependent Aspartate Decarboxylase with Histidine 11 Mutated to Alanine 2003-06-22 2003-11-11 Schmitzberger, F.,Kilkenny, M.L.,Lobley, C.M.C.,Webb, M.E.,Vinkovic, M.,Matak-Vinkovic, D.,Witty, M.,Chirgadze, D.Y.,Smith, A.G.,Abell, C.,Blundell, T.L. Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase Embo J. 2003 22 6193 6204 1PQF 14633979 Glycine 24 to Serine mutation of aspartate decarboxylase 2003-06-18 2003-11-18 Schmitzberger, F.,Kilkenny, M.L.,Lobley, C.M.C.,Webb, M.E.,Vinkovic, M.,Matak-Vinkovic, D.,Witty, M.,Chirgadze, D.Y.,Smith, A.G.,Abell, C.,Blundell, T.L. Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase Embo J. 2003 22 6193 6204 1PYQ 14633979 Unprocessed Aspartate Decarboxylase Mutant, with Alanine inserted at position 24 2003-07-09 2003-11-18 Schmitzberger, F.,Kilkenny, M.L.,Lobley, C.M.C.,Webb, M.E.,Vinkovic, M.,Matak-Vinkovic, D.,Witty, M.,Chirgadze, D.Y.,Smith, A.G.,Abell, C.,Blundell, T.L. Structural Constraints on protein self-processing in L-aspartate-alpha-decarboxylase Embo J. 2003 22 6193 6204 1UPB 14623876 Carboxyethylarginine synthase from Streptomyces clavuligerus 2003-09-29 2003-11-20 Caines, M.E.C.,Elkins, J.M.,Hewitson, K.S.,Schofield, C.J. Crystal Structure and Mechanistic Implications of N2-(2-Carboxyethyl)Arginine Synthase, the First Enzyme in the Clavulanic Acid Biosynthesis Pathway J.Biol.Chem. 2004 279 5685 0 1PM7 12951098 RmlC (dTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE)STRUCTURE FROM MYCOBACTERIUM TUBERCULOSIS AND INHIBITOR DESIGN. THE APO STRUCTURE. 2003-06-10 2003-12-09 Babaoglu, K.,Page, M.A.,Jones, V.C.,McNeil, M.R.,Dong, C.,Naismith, J.H.,Lee, R.E. Novel inhibitors of an emerging target in Mycobacterium tuberculosis; substituted thiazolidinones as inhibitors of dTDP-rhamnose synthesis. Bioorg.Med.Chem.Lett. 2003 13 3227 3230 1PXI 12679018 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,5-Dichloro-thiophen-3-yl)-pyrimidin-2-ylamine 2003-07-04 2003-12-09 Wu, S.Y.,McNae, I.,Kontopidis, G.,McClue, S.J.,McInnes, C.,Stewart, K.J.,Wang, S.,Zheleva, D.I.,Marriage, H.,Lane, D.P.,Taylor, P.,Fischer, P.M.,Walkinshaw, M.D. Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop Structure 2003 11 399 410 1OL2 14656438 Cyclin A binding groove inhibitor H-Arg-Arg-Leu-Asn-(p-F-Phe)-NH2 2003-08-05 2003-12-11 Kontopidis, G.,Andrews, M.,Mcinnes, C.,Cowan, A.,Powers, H.,Innes, L.,Plater, A.,Griffiths, G.,Paterson, D.,Zheleva, D.,Lane, D.,Green, S.,Walkinshaw, M.,Fischer, P. Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange Structure 2003 11 1537 0 1R8H 14643661 Comparison of the structure and DNA binding properties of the E2 proteins from an oncogenic and a non-oncogenic human papillomavirus 2003-10-24 2003-12-23 Dell, G.,Wilkinson, K.W.,Tranter, R.,Parish, J.,Leo Brady, R.,Gaston, K. Comparison of the structure and DNA-binding properties of the E2 proteins from an oncogenic and a non-oncogenic human papillomavirus. J.Mol.Biol. 2003 334 979 991 1UN5 14756559 ARH-II, AN ANGIOGENIN/RNASE A CHIMERA 2003-09-04 2004-02-06 Holloway, D.E.,Chavali, G.B.,Hares, M.C.,Baker, M.D.,Subbarao, G.V.,Shapiro, R.,Acharya, K.R. Crystallographic Studies on Structural Features that Determine the Enzymatic Specificity and Potency of Human Angiogenin: Thr44, Thr80 and Residues 38-41 Biochemistry 2004 43 1230 0 1NXV MicArec pH 4.2 2003-02-11 2004-02-17 Bent, C.J.,Isaacs, N.W.,Mitchell, T.J.,Riboldi-Tunnicliffe, A. MicArec pH 4.2 To be Published 0 0 0 0 1NXX MicArec pH 5.5 2003-02-11 2004-02-17 Bent, C.J.,Isaacs, N.W.,Mitchell, T.J.,Riboldi-Tunnicliffe, A. MicArec pH 5.5 To be Published 0 0 0 0 1QY0 14871097 Thermodynamics of Binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the Major Urinary Protein 2003-09-09 2004-02-24 Bingham, R.J.,Findlay, J.B.C.,Hsieh, S.-Y.,Kalverda, A.P.,Kjellberg, A.,Perazzolo, C.,Phillips, S.E.V.,Seshadri, K.,Trinh, C.H.,Turnbull, W.B.,Bodenhausen, G.,Homans, S.W. Thermodynamics of Binding of 2-Methoxy-3-isopropylpyrazine and 2-Methoxy-3-isobutylpyrazine to the Major Urinary Protein. J.Am.Chem.Soc. 2004 126 1675 1681 1PYH 14671305 Crystal structure of RC-LH1 core complex from Rhodopseudomonas palustris 2003-07-08 2004-03-02 Roszak, A.W.,Howard, T.D.,Southall, J.,Gardiner, A.T.,Law, C.J.,Isaacs, N.W.,Cogdell, R.J. Crystal structure of the RC-LH1 core complex from Rhodopseudomonas palustris. Science 2003 302 1969 1972 1UW3 15037077 The crystal structure of the globular domain of sheep prion protein 2004-01-29 2004-03-25 Haire, L.F.,Whyte, S.M.,Vasisht, N.,Gill, A.C.,Verma, C.,Dodson, E.J.,Dodson, G.G.,Bayley, P.M. The Crystal Structure of the Globular Domain of Sheep Prion Protein J.Mol.Biol. 2004 336 1175 0 1PXM 15027857 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol 2003-07-04 2004-04-13 Wang, S.,Meades, C.,Wood, G.,Osnowski, A.,Anderson, S.,Yuill, R.,Thomas, M.,Mezna, M.,Jackson, W.,Midgley, C.,Griffiths, G.,Fleming, I.,Green, S.,McNae, I.,Wu, S.Y.,McInnes, C.,Zheleva, D.,Walkinshaw, M.D.,Fischer, P.M. 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem. 2004 47 1662 1675 1PXN 15027857 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol 2003-07-04 2004-04-13 Wang, S.,Meades, C.,Wood, G.,Osnowski, A.,Anderson, S.,Yuill, R.,Thomas, M.,Mezna, M.,Jackson, W.,Midgley, C.,Griffiths, G.,Fleming, I.,Green, S.,McNae, I.,Wu, S.Y.,McInnes, C.,Zheleva, D.,Walkinshaw, M.D.,Fischer, P.M. 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem. 2004 47 1662 1675 1PXO 15027857 HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine 2003-07-04 2004-04-13 Wang, S.,Meades, C.,Wood, G.,Osnowski, A.,Anderson, S.,Yuill, R.,Thomas, M.,Mezna, M.,Jackson, W.,Midgley, C.,Griffiths, G.,Fleming, I.,Green, S.,McNae, I.,Wu, S.Y.,McInnes, C.,Zheleva, D.,Walkinshaw, M.D.,Fischer, P.M. 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity. J.Med.Chem. 2004 47 1662 1675 1T25 15117937 Plasmodium falciparum lactate dehydrogenase complexed with NADH and 3-hydroxyisoxazole-4-carboxylic acid 2004-04-20 2004-05-11 Cameron, A.,Read, J.,Tranter, R.,Winter, V.J.,Sessions, R.B.,Brady, R.L.,Vivas, L.,Easton, A.,Kendrick, H.,Croft, S.L.,Barros, D.,Lavandera, J.L.,Martin, J.J.,Risco, F.,Garcia-Ochoa, S.,Gamo, F.J.,Sanz, L.,Leon, L.,Ruiz, J.R.,Gabarro, R.,Mallo, A.,De Las Heras, F.G. Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem. 2004 279 31429 31439 1T26 15117937 Plasmodium falciparum lactate dehydrogenase complexed with NADH and 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid 2004-04-20 2004-05-11 Cameron, A.,Read, J.,Tranter, R.,Winter, V.J.,Sessions, R.B.,Brady, R.L.,Vivas, L.,Easton, A.,Kendrick, H.,Croft, S.L.,Barros, D.,Lavandera, J.L.,Martin, J.J.,Risco, F.,Garcia-Ochoa, S.,Gamo, F.J.,Sanz, L.,Leon, L.,Ruiz, J.R.,Gabarro, R.,Mallo, A.,De Las Heras, F.G. Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem. 2004 279 31429 31439 1T2C 15117937 Plasmodium falciparum lactate dehydrogenase complexed with NADH 2004-04-21 2004-05-11 Cameron, A.,Read, J.,Tranter, R.,Winter, V.J.,Sessions, R.B.,Brady, R.L.,Vivas, L.,Easton, A.,Kendrick, H.,Croft, S.L.,Barros, D.,Lavandera, J.L.,Martin, J.J.,Risco, F.,Garcia-Ochoa, S.,Gamo, F.J.,Sanz, L.,Leon, L.,Ruiz, J.R.,Gabarro, R.,Mallo, A.,De Las Heras, F.G. Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem. 2004 279 31429 31439 1T2E 15117937 Plasmodium falciparum lactate dehydrogenase S245A, A327P mutant complexed with NADH and oxamate 2004-04-21 2004-05-11 Cameron, A.,Read, J.,Tranter, R.,Winter, V.J.,Sessions, R.B.,Brady, R.L.,Vivas, L.,Easton, A.,Kendrick, H.,Croft, S.L.,Barros, D.,Lavandera, J.L.,Martin, J.J.,Risco, F.,Garcia-Ochoa, S.,Gamo, F.J.,Sanz, L.,Leon, L.,Ruiz, J.R.,Gabarro, R.,Mallo, A.,De Las Heras, F.G. Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity. J.Biol.Chem. 2004 279 31429 31439 1UZ2 15147215 The Cys121Ser Mutant of Beta-Lactoglobulin 2004-03-03 2004-05-20 Jayat, D.,Gaudin, J.C.,Chobert, J.M.,Burova, T.V.,Holt, C.,McNae, I.,Sawyer, L.,Haertle, T. A recombinant C121S mutant of bovine beta-lactoglobulin is more susceptible to peptic digestion and to denaturation by reducing agents and heating. Biochemistry 2004 43 6312 6321 1UZY 15201215 Erythrina crystagalli lectin 2004-03-19 2004-06-22 Turton, K.,Natesh, R.,Thiyagarajan, N.,Chaddock, J.A.,Acharya, K.R. Crystal structures of Erythrina cristagalli lectin with bound N-linked oligosaccharide and lactose. Glycobiology 2004 14 923 929 1UZZ 15201215 Erythrina cristagalli bound to N-linked oligosaccharide and lactose 2004-03-20 2004-06-22 Turton, K.,Natesh, R.,Thiyagarajan, N.,Chaddock, J.A.,Acharya, K.R. Crystal structures of Erythrina cristagalli lectin with bound N-linked oligosaccharide and lactose. Glycobiology 2004 14 923 929 1V00 15201215 Erythrina cristagalli lectin 2004-03-21 2004-06-22 Turton, K.,Natesh, R.,Thiyagarajan, N.,Chaddock, J.A.,Acharya, K.R. Crystal Structures of Erythrina Cristagalli Lectin with Bound N-Linked Oligosaccharide and Lactose Glycobiology 2004 14 923 0 1VZ2 15210359 PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, Y73C/V427C/C255T MUTANT 2004-05-14 2004-07-01 Szeltner, Z.,Rea, D.,Juhasz, T.,Renner, V.,Fulop, V.,Polgar, L. Concerted Structural Changes in the Peptidase and the Propeller Domains of Prolyl Oligopeptidase are Required for Substrate Binding J.Mol.Biol. 2004 340 627 0 1VZ3 15210359 PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, T597C MUTANT 2004-05-14 2004-07-01 Szeltner, Z.,Rea, D.,Juhasz, T.,Renner, V.,Fulop, V.,Polgar, L. Concerted Structural Changes in the Peptidase and the Propeller Domains of Prolyl Oligopeptidase are Required for Substrate Binding J.Mol.Biol. 2004 340 627 0 1VZX 15229192 Roles of active site tryptophans in substrate binding and catalysis by ALPHA-1,3 GALACTOSYLTRANSFERASE 2004-05-28 2004-07-08 Zhang, Y.,Deshpande, A.,Xie, Z.,Natesh, R.,Acharya, K.R.,Brew, K. Roles of active site tryptophans in substrate binding and catalysis by alpha-1,3 galactosyltransferase. Glycobiology 2004 14 1295 1302 1SM2 14766749 Crystal structure of the phosphorylated Interleukin-2 tyrosine kinase catalytic domain 2004-03-08 2004-07-16 Brown, K.,Long, J.M.,Vial, S.C.,Dedi, N.,Dunster, N.J.,Renwick, S.B.,Tanner, A.J.,Frantz, J.D.,Fleming, M.A.,Cheetham, G.M. Crystal structures of interleukin-2 tyrosine kinase and their implications for the design of selective inhibitors. J.Biol.Chem. 2004 279 18727 18732 1UZE 15236580 Complex of the anti-hypertensive drug enalaprilat and the human testicular angiotensin I-converting enzyme 2004-03-11 2004-07-16 Natesh, R.,Schwager, S.L.U.,Evans, H.R.,Sturrock, E.D.,Acharya, K.R. Structural Details on the Binding of Antihypertensive Drugs Captopril and Enalaprilat to Human Testicular Angiotensin I-Converting Enzyme Biochemistry 2004 43 8718 0 1UZF 15236580 Complex of the anti-hypertensive drug captopril an the human testicular angiotensin I-converting enzyme 2004-03-11 2004-07-16 Natesh, R.,Schwager, S.L.U.,Evans, H.R.,Sturrock, E.D.,Acharya, K.R. Structural Details on the Binding of Antihypertensive Drugs Captopril and Enalaprilat to Human Testicular Angiotensin I-Converting Enzyme Biochemistry 2004 43 8718 0 1SJ2 15231843 Crystal structure of Mycobacterium tuberculosis catalase-peroxidase 2004-03-02 2004-07-20 Bertrand, T.,Eady, N.A.J.,Jones, J.N.,Jesmin,Nagy, J.M.,Jamart-Gregoire, B.,Raven, E.L.,Brown, K.A. Crystal Structure of Mycobacterium tuberculosis Catalase-Peroxidase. J.Biol.Chem. 2004 279 38991 38999 1SNU 14766749 CRYSTAL STRUCTURE OF THE UNPHOSPHORYLATED INTERLEUKIN-2 TYROSINE KINASE CATALYTIC DOMAIN 2004-03-12 2004-07-20 Brown, K.,Long, J.M.,Vial, S.C.,Dedi, N.,Dunster, N.J.,Renwick, S.B.,Tanner, A.J.,Frantz, J.D.,Fleming, M.A.,Cheetham, G.M. Crystal structures of interleukin-2 tyrosine kinase and their implications for the design of selective inhibitors. J.Biol.Chem. 2004 279 18727 18732 1TQQ 15342230 Structure of TolC in complex with hexamminecobalt 2004-06-18 2004-07-20 Higgins, M.K.,Eswaran, J.,Edwards, P.C.,Schertler, G.F.,Hughes, C.,Koronakis, V. Structure of the ligand-blocked periplasmic entrance of the bacterial multidrug effllux protein TolC J.Mol.Biol. 2004 342 697 702 1W2I 15779887 Crystal structuore of acylphosphatase from Pyrococcus horikoshii complexed with formate 2004-07-06 2004-08-04 Cheung, Y.Y.,Lam, S.Y.,Chu, W.K.,Allen, M.D.,Bycroft, M.,Wong, K.B. Crystal Structure of a Hyperthermophilic Archaeal Acylphosphatase from Pyrococcus Horikoshii-Structural Insights Into Enzymatic Catalysis, Thermostability, and Dimerization Biochemistry 2005 44 4601 0 1TB6 15311269 2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex 2004-05-19 2004-08-17 Li, W.,Johnson, D.J.,Esmon, C.T.,Huntington, J.A. Structure of the antithrombin-thrombin-heparin ternary complex reveals the antithrombotic mechanism of heparin. Nat.Struct.Mol.Biol. 2004 11 857 862 1VZ6 15352873 Ornithine Acetyltransferase (ORF6 Gene Product - Clavulanic Acid Biosynthesis) from Streptomyces clavuligerus 2004-05-14 2004-09-16 Elkins, J.M.,Kershaw, N.J.,Schofield, C.J. X-Ray Crystal Structure of Ornithine Acetyltransferase from the Clavulanic Acid Biosynthesis Gene Cluster. Biochem.J. 2005 385 565 0 1W58 15558053 FtsZ GMPCPP soak I213 (M. jannaschii) 2004-08-06 2004-12-01 Oliva, M.A.,Cordell, S.C.,Lowe, J. Structural Insights Into Ftsz Protofilament Formation Nat.Struct.Mol.Biol. 2004 11 1243 0 1U1Y 15496523 Crystal structure of a complex between WT bacteriophage MS2 coat protein and an F5 aptamer RNA stemloop with 2aminopurine substituted at the-10 position 2004-07-16 2004-12-07 Horn, W.T.,Convery, M.A.,Stonehouse, N.J.,Adams, C.J.,Liljas, L.,Phillips, S.E.,Stockley, P.G. The crystal structure of a high affinity RNA stem-loop complexed with the bacteriophage MS2 capsid: further challenges in the modeling of ligand-RNA interactions. Rna 2004 10 1776 1782 1WA0 15610025 Crystal Structure Of W138H Mutant Of Alcaligenes Xylosoxidans Nitrite Reductase 2004-10-22 2005-01-04 Barrett, M.L.,Harris, R.L.,Antonyuk, S.V.,Hough, M.A.,Ellis, M.J.,Sawers, G.,Eady, R.R.,Hasnain, S.S. Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes Xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants Biochemistry 2004 43 16311 0 1WA1 15610025 Crystal Structure Of H313Q Mutant Of Alcaligenes Xylosoxidans Nitrite Reductase 2004-10-22 2005-01-04 Barrett, M.L.,Harris, R.L.,Antonyuk, S.V.,Hough, M.A.,Ellis, M.J.,Sawers, G.,Eady, R.R.,Hasnain, S.S. Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes Xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants Biochemistry 2004 43 16311 0 1WA2 15610025 Crystal Structure Of H313Q Mutant Of Alcaligenes Xylosoxidans Nitrite Reductase with nitrite bound 2004-10-22 2005-01-04 Barrett, M.L.,Harris, R.L.,Antonyuk, S.V.,Hough, M.A.,Ellis, M.J.,Sawers, G.,Eady, R.R.,Hasnain, S.S. Insights Into Redox Partner Interactions and Substrate Binding in Nitrite Reductase from Alcaligenes Xylosoxidans: Crystal Structures of the Trp138His and His313Gln Mutants Biochemistry 2004 43 16311 0 2BEJ 15635448 Structure of the bacterial chromosome segregation protein Soj 2004-11-25 2005-01-12 Leonard, T.A.,Butler, P.J.G.,Lowe, J. Bacterial Chromosome Segregation: Structure and DNA Binding of the Soj Dimer--A Conserved Biological Switch Embo J. 2005 24 270 0 1W60 15681588 NATIVE HUMAN PCNA 2004-08-11 2005-01-13 Kontopidis, G.,Wu, S.,Zheleva, D.,Taylor, P.,Mcinnes, C.,Lane, D.,Fischer, P.,Walkinshaw, M. Structural and Biochemical Studies of Human Proliferating Cell Nuclear Antigen Complexes Provide a Rationale for Cyclin Association and Inhibitor Design Proc.Natl.Acad.Sci.USA 2005 102 1871 0 2BIO 15703170 human p53 core domain mutant M133L-V203A-N239Y-R249S-N268D 2005-01-25 2005-01-26 Joerger, A.C.,Ang, H.C.,Veprintsev, D.B.,Blair, C.M.,Fersht, A.R. Structures of P53 Cancer Mutants and Mechanism of Rescue by Second-Site Suppressor Mutations J.Biol.Chem. 2005 280 16030 0 2BIP 15703170 human p53 core domain mutant M133L-H168R-V203A-N239Y-R249S-N268D 2005-01-25 2005-01-26 Joerger, A.C.,Ang, H.C.,Veprintsev, D.B.,Blair, C.M.,Fersht, A.R. Structures of P53 Cancer Mutants and Mechanism of Rescue by Second-Site Suppressor Mutations J.Biol.Chem. 2005 280 16030 0 2BIQ 15703170 human p53 core domain mutant T123A-M133L-H168R-V203A-N239Y-R249S- N268D 2005-01-25 2005-01-26 Joerger, A.C.,Ang, H.C.,Veprintsev, D.B.,Blair, C.M.,Fersht, A.R. Structures of P53 Cancer Mutants and Mechanism of Rescue by Second-Site Suppressor Mutations J.Biol.Chem. 2005 280 16030 0 1W4O 15670155 Binding of Nonnatural 3'-Nucleotides to Ribonuclease A 2004-07-27 2005-02-02 Jenkins, C.L.,Thiyagarajan, N.,Sweeney, R.Y.,Guy, M.P.,Kelemen, B.R.,Acharya, K.R.,Raines, R.T. Binding of Non-Natural 3'-Nucleotides to Ribonuclease A FEBS J. 2005 272 744 0 1UV4 15708971 Native Bacillus subtilis Arabinanase Arb43A 2004-01-14 2005-02-16 Proctor, M.,Taylor, E.J.,Nurizzo, D.,Turkenburg, J.,Lloyd, R.,Vardakou, M.,Davies, G.J.,Gilbert, H.J. Tailored Catalysts for Plant Cell-Wall Degradation: Redesigning the Exo/Endo Preference of Cellvibrio Japonicus Arabinanase 43A Proc.Natl.Acad.Sci.USA 2005 102 2697 0 2BG8 15779910 Bacillus cereus metallo-beta-lactamase (BcII) Arg (121) Cys mutant. Solved at pH4.5 using 20 Micromolar ZnSO4 in the buffer. 1mM DTT and 1mM TCEP-HCl were used as reducing agents. 2004-12-17 2005-03-31 Davies, A.M.,Rasia, R.M.,Vila, A.J.,Sutton, B.J.,Fabiane, S.M. Effect of Ph on the Active Site of an Arg121Cys Mutant of the Metallo-Beta-Lactamase from Bacillus Cereus: Implications for the Enzyme Mechanism Biochemistry 2005 44 4841 0 2BJW 15790859 PspF AAA domain 2005-02-08 2005-03-31 Rappas, M.,Schumacher, J.,Beuron, F.,Niwa, H.,Bordes, P.,Wigneshweraraj, S.,Keetch, C.A.,Robinson, C.V.,Buck, M.,Zhang, X. Structural Insights Into the Activity of Enhancer-Binding Proteins Science 2005 307 1972 0 1W41 15811378 T. celer L30e E90A variant 2004-07-22 2005-04-08 Lee, C.F.,Allen, M.D.,Bycroft, M.,Wong, K.B. Electrostatic Interactions Contribute to Reduced Heat Capacity Change of Unfolding in a Thermophilic Ribosomal Protein L30E J.Mol.Biol. 2005 348 419 0 1W42 15811378 T. celer L30e R92A variant 2004-07-22 2005-04-08 Lee, C.F.,Allen, M.D.,Bycroft, M.,Wong, K.B. Electrostatic Interactions Contribute to Reduced Heat Capacity Change of Unfolding in a Thermophilic Ribosomal Protein L30E J.Mol.Biol. 2005 348 419 0 2BHL 15858258 X-RAY STRUCTURE OF HUMAN GLUCOSE-6-PHOSPHATE DEHYDROGENASE (DELETION VARIANT) COMPLEXED WITH GLUCOSE-6-PHOSPHATE 2005-01-13 2005-04-25 Kotaka, M.,Gover, S.,Vandeputte-Rutten, L.,Au, S.W.N.,Lam, V.M.S.,Adams, M.J. Structural Studies of Glucose-6-Phosphate and Nadp+ Binding to Human Glucose-6-Phosphate Dehydrogenase Acta Crystallogr.,Sect.D 2005 61 495 0 1XPZ 15865431 Structure of human carbonic anhydrase II with 4-[4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole 2004-10-11 2005-05-17 Lloyd, M.D.,Thiyagarajan, N.,Ho, Y.T.,Woo, L.W.L.,Sutcliffe, O.B.,Purohit, A.,Reed, M.J.,Acharya, K.R.,Potter, B.V.L. First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,) Biochemistry 2005 44 6858 6866 1XQ0 15865431 Structure of human carbonic anhydrase II with 4-[(3-bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole 2004-10-11 2005-05-17 Lloyd, M.D.,Thiyagarajan, N.,Ho, Y.T.,Woo, L.W.L.,Sutcliffe, O.B.,Purohit, A.,Reed, M.J.,Acharya, K.R.,Potter, B.V.L. First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,) Biochemistry 2005 44 6858 6866 2BOZ 15908429 Photosynthetic Reaction Center Mutant With Gly M203 Replaced With Leu 2005-04-15 2005-05-20 Potter, J.A.,Fyfe, P.K.,Frolov, D.,Wakeham, M.C.,Van Grondelle, R.,Robert, B.,Jones, M.R. Strong Effects of an Individual Water Molecule on the Rate of Light-Driven Charge Separation in the Rhodobacter Sphaeroides Reaction Center. J.Biol.Chem. 2005 280 27155 0 1VZT 14621997 ROLES OF INDIVIDUAL RESIDUES OF ALPHA-1,3 GALACTOSYLTRANSFERASES IN SUBSTRATE BINDING AND CATALYSIS 2004-05-26 2005-05-26 Zhang, Y.,Swaminathan, G.J.,Deshpande, A.,Boix, E.,Natesh, R.,Xie, Z.,Acharya, K.R.,Brew, K. Roles of Individual Enzyme-Substrate Interactions by Alpha-1,3-Galactosyltransferase in Catalysis and Specificity. Biochemistry 2003 42 13512 0 1XIV 15978953 Plasmodium falciparum lactate dehydrogenase complexed with 2-({4-chloro-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol 2004-09-22 2005-06-21 Conners, R.,Schambach, F.,Read, J.A.,Cameron, A.,Sessions, R.B.,Vivas, L.,Easton, A.,Croft, S.L.,Brady, R.L. Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase MOL.BIOCHEM.PARASITOL. 2005 142 137 148 1WKO 16424903 Terminal flower 1 (tfl1) from arabidopsis thaliana 2004-06-01 2005-06-28 Ahn, J.H.,Miller, D.,Winter, V.J.,Banfield, M.J.,Lee, J.H.,Yoo, S.Y.,Henz, S.R.,Brady, R.L.,Weigel, D. A divergent external loop confers antagonistic activity on floral regulators FT and TFL1. Embo J. 2006 25 605 614 1YIV 16041071 Structure of myelin P2 protein from Equine spinal cord 2005-01-13 2005-07-26 Hunter, D.J.,Macmaster, R.,Roszak, A.W.,Riboldi-Tunnicliffe, A.,Griffiths, I.R.,Freer, A.A. Structure of myelin P2 protein from equine spinal cord. Acta Crystallogr.,Sect.D 2005 61 1067 1071 1YYH 16011479 Crystal structure of the human Notch 1 ankyrin domain 2005-02-25 2005-08-16 Ehebauer, M.T.,Chirgadze, D.Y.,Hayward, P.,Martinez-Arias, A.,Blundell, T.L. High-resolution crystal structure of the human Notch 1 ankyrin domain Biochem.J. 2005 392 13 20 1ZWX 16093240 Crystal Structure of SmcL 2005-06-06 2005-08-16 Openshaw, A.E.A.,Race, P.R.,Monzo, H.J.,Vasquez-Boland, J.A.,Banfield, M.J. Crystal structure of SmcL, a bacterial neutral sphingomyelinase C from Listeria. J.Biol.Chem. 2005 280 35011 35017 1ZUJ 16091047 The crystal structure of the Lactococcus lactis MG1363 DpsA protein 2005-05-31 2005-08-30 Stillman, T.J.,Upadhyay, M.,Norte, V.A.,Sedelnikova, S.E.,Carradus, M.,Tzokov, S.,Bullough, P.A.,Shearman, C.A.,Gasson, M.J.,Williams, C.H.,Artymiuk, P.J.,Green, J. The crystal structures of Lactococcus lactis MG1363 Dps proteins reveal the presence of an N-terminal helix that is required for DNA binding. Mol.Microbiol. 2005 57 1101 1112 1ZUJ 16091047 The crystal structure of the Lactococcus lactis MG1363 DpsA protein 2005-05-31 2005-08-30 Stillman, T.J.,Upadhyay, M.,Norte, V.A.,Sedelnikova, S.E.,Carradus, M.,Tzokov, S.,Bullough, P.A.,Shearman, C.A.,Gasson, M.J.,Williams, C.H.,Artymiuk, P.J.,Green, J. The crystal structures of Lactococcus lactis MG1363 Dps proteins reveal the presence of an N-terminal helix that is required for DNA binding. Mol.Microbiol. 2005 57 1101 1112 1ZP7 16154091 The structure of Bacillus subtilis RecU Holliday junction resolvase and its role in substrate selection and sequence specific cleavage. 2005-05-16 2005-09-20 McGregor, N.,Ayora, S.,Sedelnikova, S.,Carrasco, B.,Alonso, J.C.,Thaw, P.,Rafferty, J. The Structure of Bacillus subtilis RecU Holliday Junction Resolvase and Its Role in Substrate Selection and Sequence-Specific Cleavage. Structure 2005 13 1341 1351 2BRS 16245931 EMBP Heparin complex 2005-05-11 2005-10-26 Swaminathan, G.J.,Myszka, D.G.,Katsamba, P.S.,Ohnuki, L.E.,Gleich, G.J.,Acharya, K.R. Eosinophil-Granule Major Basic Protein, a C-Type Lectin, Binds Heparin Biochemistry 2005 44 14152 0 2BEH 16973611 Crystal structure of antithrombin variant S137A/V317C/T401C with plasma latent antithrombin 2005-10-24 2005-11-01 Johnson, D.J.,Langdown, J.,Li, W.,Luis, S.A.,Baglin, T.P.,Huntington, J.A. Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation. J.Biol.Chem. 2006 281 35478 35486 1WBN 15658855 fragment based p38 inhibitors 2004-11-04 2005-11-03 Gill, A.L.,Frederickson, M.,Cleasby, A.,Woodhead, S.J.,Carr, M.G.,Woodhead, A.J.,Walker, M.T.,Congreve, M.S.,Devine, L.A.,Tisi, D.,O'Reilly, M.,Seavers, L.C.,Davis, D.J.,Curry, J.,Anthony, R.,Padova, A.,Murray, C.W.,Carr, R.A.,Jhoti, H. Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation. J.Med.Chem. 2005 48 414 0 1Y0P Flavocytochrome c3 with mesaconate bound 2004-11-16 2005-11-08 Wardrope, C.,Mowat, C.G.,Reid, G.A.,Chapman, S.K. Electrocatalytic Generation of Chiral Fumarate Derivatives by Flavocytochrome c3 to be published 0 0 0 0 2ET7 16291738 Structural and spectroscopic insights into the mechanism of oxalate oxidase 2005-10-27 2005-11-22 Opaleye, O.,Rose, R.-S.,Whittaker, M.M.,Woo, E.-J.,Whittaker, J.W.,Pickersgill, R.W. Structural and spectroscopic studies shed light on the mechanism of oxalate oxidase J.Biol.Chem. 2006 281 6428 6433 2ETE 16291738 Recombinant oxalate oxidase in complex with glycolate 2005-10-27 2005-11-22 Opaleye, O.,Rose, R.-S.,Whittaker, M.M.,Woo, E.-J.,Whittaker, J.W.,Pickersgill, R.W. Structural and spectroscopic studies shed light on the mechanism of oxalate oxidase J.Biol.Chem. 2006 281 6428 6433 1ZUW 16271894 Crystal structure of B.subtilis glutamate racemase (RacE) with D-Glu 2005-06-01 2005-12-06 Ruzheinikov, S.N.,Taal, M.A.,Sedelnikova, S.E.,Baker, P.J.,Rice, D.W. Substrate-Induced Conformational Changes in Bacillus subtilis Glutamate Racemase and Their Implications for Drug Discovery Structure 2005 13 1707 1713 1ZNH 16316253 Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex 2005-05-11 2005-12-20 Malham, R.,Johnstone, S.,Bingham, R.J.,Barratt, E.,Phillips, S.E.,Laughton, C.A.,Homans, S.W. Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc. 2005 127 17061 17067 1ZNL 16316253 Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex 2005-05-11 2005-12-20 Malham, R.,Johnstone, S.,Bingham, R.J.,Barratt, E.,Phillips, S.E.,Laughton, C.A.,Homans, S.W. Strong Solute-Solute Dispersive Interactions in a Protein-Ligand Complex. J.Am.Chem.Soc. 2005 127 17061 17067 2A92 16331982 Crystal structure of lactate dehydrogenase from Plasmodium vivax: complex with NADH 2005-07-11 2006-01-10 Chaikuad, A.,Fairweather, V.,Conners, R.,Joseph-Horne, T.,Turgut-Balik, D.,Brady, R.L. Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH. Biochemistry 2005 44 16221 16228 2AA3 16331982 Crystal structure of Plasmodium vivax lactate dehydrogenase complex with APADH 2005-07-13 2006-01-10 Chaikuad, A.,Fairweather, V.,Conners, R.,Joseph-Horne, T.,Turgut-Balik, D.,Brady, R.L. Structure of Lactate Dehydrogenase from Plasmodium vivax: Complexes with NADH and APADH. Biochemistry 2005 44 16221 16228 2BCK 16323248 Crystal Structure of HLA-A*2402 Complexed with a telomerase peptide 2005-10-19 2006-01-10 Cole, D.K.,Rizkallah, P.J.,Gao, F.,Watson, N.I.,Boulter, J.M.,Bell, J.I.,Sami, M.,Gao, G.F.,Jakobsen, B.K. Crystal structure of HLA-A*2402 complexed with a telomerase peptide. Eur.J.Immunol. 2006 36 170 179 1YQO 16403573 T268A mutant heme domain of flavocytochrome P450 BM3 2005-02-02 2006-01-31 Clark, J.P.,Miles, C.S.,Mowat, C.G.,Walkinshaw, M.D.,Reid, G.A.,Daff, S.N.,Chapman, S.K. The role of Thr268 and Phe393 in cytochrome P450 BM3. J.Inorg.Biochem. 2006 100 1075 1090 2BT4 16106291 Type II Dehydroquinase inhibitor complex 2005-05-26 2006-02-13 Toscano, M.D.,Stewart, K.A.,Coggins, J.R.,Lapthorn, A.J.,Abell, C. Rational Design of New Bifunctional Inhibitors of Type II Dehydroquinase. Org.Biomol.Chem. 2005 3 3102 0 2FN0 16434053 Crystal structure of Yersinia enterocolitica salicylate synthase (Irp9) 2006-01-10 2006-02-14 Kerbarh, O.,Chirgadze, D.Y.,Blundell, T.L.,Abell, C. Crystal Structures of Yersinia enterocolitica Salicylate Synthase and its Complex with the Reaction Products Salicylate and Pyruvate. J.Mol.Biol. 2006 357 524 534 2C5X 16492568 Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design 2005-11-03 2006-03-01 Kontopidis, G.,Mcinnes, C.,Pandalaneni, S.R.,Mcnae, I.,Gibson, D.,Mezna, M.,Thomas, M.,Wood, G.,Wang, S.,Walkinshaw, M.D.,Fischer, P.M. Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design. Chem.Biol. 2006 13 201 0 2C6N 16476442 Structure of human somatic angiontensin-I converting enzyme N domain with lisinopril 2005-11-10 2006-03-15 Corradi, H.R.,Schwager, S.L.,Nchinda, A.T.,Sturrock, E.D.,Acharya, K.R. Crystal structure of the N domain of human somatic angiotensin I-converting enzyme provides a structural basis for domain-specific inhibitor design. J. Mol. Biol. 2006 357 964 974 2CG4 16528101 Structure of E.coli AsnC 2006-02-27 2006-04-04 Thaw, P.,Sedelnikova, S.E.,Muranova, T.,Wiese, S.,Ayora, S.,Alonso, J.C.,Brinkman, A.B.,Akerboom, J.,Van Der Oost, J.,Rafferty, J.B. Structural Insight Into Gene Transcriptional Regulation and Effector Binding by the Lrp/Asnc Family. Nucleic Acids Res. 2006 34 1439 0 2F53 16600963 Directed Evolution of Human T-cell Receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without apparent cross-reactivity 2005-11-25 2006-04-25 Dunn, S.M.,Rizkallah, P.J.,Baston, E.,Mahon, T.,Cameron, B.,Moysey, R.,Gao, F.,Sami, M.,Boulter, J.,Li, Y.,Jakobsen, B.K. Directed evolution of human T cell receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without increasing apparent cross-reactivity. Protein Sci. 2006 15 710 721 2EVA 16289117 Structural Basis for the Interaction of TAK1 Kinase with its Activating Protein TAB1 2005-10-31 2006-05-02 Brown, K.,Vial, S.C.,Dedi, N.,Long, J.M.,Dunster, N.J.,Cheetham, G.M. Structural basis for the interaction of TAK1 kinase with its activating protein TAB1 J.Mol.Biol. 2005 354 1013 1020 1ZSE 16531233 RNA stemloop from bacteriophage Qbeta complexed with an N87S mutant MS2 Capsid 2005-05-24 2006-05-09 Horn, W.T.,Tars, K.,Grahn, E.,Helgstrand, C.,Baron, A.J.,Lago, H.,Adams, C.J.,Peabody, D.S.,Phillips, S.E.V.,Stonehouse, N.J.,Liljas, L.,Stockley, P.G. Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2 Structure 2006 14 487 495 2B2G 16531233 MS2 Wild-type RNA stemloop complexed with an N87S mutant MS2 capsid 2005-09-19 2006-05-09 Horn, W.T.,Tars, K.,Grahn, E.,Helgstrand, C.,Baron, A.J.,Lago, H.,Adams, C.J.,Peabody, D.S.,Phillips, S.E.V.,Stonehouse, N.J.,Liljas, L.,Stockley, P.G. Structural basis of RNA binding discrimination between bacteriophages Qbeta and MS2 Structure 2006 14 487 495 2GD4 16619025 Crystal Structure of the Antithrombin-S195A Factor Xa-Pentasaccharide Complex 2006-03-15 2006-05-09 Johnson, D.J.,Li, W.,Adams, T.E.,Huntington, J.A. Antithrombin-S195A factor Xa-heparin structure reveals the allosteric mechanism of antithrombin activation. Embo J. 2006 25 2029 2037 2FW5 16700547 Diheme cytochrome c from Rhodobacter sphaeroides 2006-02-01 2006-05-23 Gibson, H.R.,Mowat, C.G.,Miles, C.S.,Li, B.R.,Leys, D.,Reid, G.A.,Chapman, S.K. Structural and Functional Studies on DHC, the Diheme Cytochrome c from Rhodobacter sphaeroides, and Its Interaction with SHP, the sphaeroides Heme Protein Biochemistry 2006 45 6363 6371 2CN8 16794575 Crystal structure of human Chk2 in complex with debromohymenialdisine 2006-05-18 2006-06-28 Oliver, A.W.,Paul, A.,Boxall, K.J.,Barrie, S.E.,Aherne, G.W.,Garrett, M.D.,Mittnacht, S.,Pearl, L.H. Trans-Activation of the DNA-Damage Signalling Protein Kinase Chk2 by T-Loop Exchange Embo J. 2006 25 3179 0 2GCG 16756993 Ternary Crystal Structure of Human Glyoxylate Reductase/Hydroxypyruvate Reductase 2006-03-14 2006-07-18 Booth, M.P.S.,Conners, R.,Rumsby, G.,Brady, R.L. Structural basis of substrate specificity in human glyoxylate reductase/hydroxypyruvate reductase J.Mol.Biol. 2006 360 178 189 2IYD SENP1 covalent complex with SUMO-2 2006-07-14 2006-08-08 Dong, C.,Naismith, J.H. Senp1 Native Structure To be Published 0 0 0 0 2CLT 16890240 Crystal structure of the active form (full-length) of human fibroblast collagenase. 2006-04-29 2006-08-09 Iyer, S.,Visse, R.,Nagase, H.,Acharya, K.R. Crystal Structure of an Active Form of Human Mmp-1. J.Mol.Biol. 2006 362 78 0 2AYG 16914454 Crystal structure of HPV6a E2 DNA binding domain bound to an 18 base pair DNA target 2005-09-07 2006-08-22 Hooley, E.,Fairweather, V.,Clarke, A.R.,Gaston, K.,Brady, R.L. The recognition of local DNA conformation by the human papillomavirus type 6 E2 protein. Nucleic Acids Res. 2006 34 3897 3908 2J1W 17015838 Human p53 core domain mutant M133L-V143A-V203A-N239Y-N268D 2006-08-15 2006-09-20 Joerger, A.C.,Ang, H.C.,Fersht, A.R. Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs. Proc.Natl.Acad.Sci.USA 2006 103 15056 0 2J20 17015838 Human p53 core domain mutant M133L-V203A-N239Y-N268D-R273C 2006-08-15 2006-09-20 Joerger, A.C.,Ang, H.C.,Fersht, A.R. Structural Basis for Understanding Oncogenic P53 Mutations and Designing Rescue Drugs. Proc.Natl.Acad.Sci.USA 2006 103 15056 0 2IX2 17012780 Crystal structure of the heterotrimeric PCNA from Sulfolobus solfataricus 2006-07-05 2006-10-04 Williams, G.J.,Johnson, K.,Rudolf, J.,Mcmahon, S.A.,Carter, L.,Oke, M.,Liu, H.,Taylor, G.L.,White, M.F.,Naismith, J.H. Structure of the Heterotrimeric PCNA from Sulfolobus Solfataricus. Acta Crystallogr.,Sect.F 2006 62 944 0 2IVD 17046834 Structure of protoporphyrinogen oxidase from Myxococcus xanthus with acifluorfen 2006-06-12 2006-10-17 Corradi, H.R.,Corrigall, A.V.,Boix, E.,Mohan, C.G.,Sturrock, E.D.,Meissner, P.N.,Acharya, K.R. Crystal Structure of Protoporphyrinogen Oxidase from Myxococcus Xanthus and its Complex with the Inhibitor Acifluorfen. J.Biol.Chem. 2006 281 38625 0 2BVU 18385381 D83R mutant of Asaris suum major sperm protein (MSP) 2005-07-04 2006-10-25 Miao, L.,Vanderlinde, O.,Liu, J.,Grant, R.P.,Wouterse, A.,Shimabukuro, K.,Philipse, A.,Stewart, M.,Roberts, T.M. The Role of Filament-Packing Dynamics in Powering Amoeboid Cell Motility. Proc.Natl.Acad.Sci.USA 2008 105 5390 0 2C5H X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-adenosine 2005-10-27 2006-10-25 Mcewan, A.R.,Deng, H.,Mcglinchey, R.P.,Robinson, D.R.,O'Hagan, D.,Naismith, J.H. Substrates and Inhibitors of the Fluorinase from Streptomyces Cattleya To be Published 0 0 0 0 2IUL 17042482 Human tACE g13 mutant 2006-06-06 2006-10-25 Watermeyer, J.M.,Sewell, B.T.,Schwager, S.L.,Natesh, R.,Corradi, H.R.,Acharya, K.R.,Sturrock, E.D. Structure of Testis Ace Glycosylation Mutants and Evidence for Conserved Domain Movement. Biochemistry 2006 45 12654 0 2IUX 17042482 Human tACE mutant g1234 2006-06-07 2006-10-25 Watermeyer, J.M.,Sewell, B.T.,Schwager, S.L.,Natesh, R.,Corradi, H.R.,Acharya, K.R.,Sturrock, E.D. Structure of Testis Ace Glycosylation Mutants and Evidence for Conserved Domain Movement. Biochemistry 2006 45 12654 0 2IXC 17046787 RmlC M. tuberculosis with dTDP-rhamnose 2006-07-07 2006-10-26 Dong, C.,Major, L.L.,Srikannathasan, V.,Errey, J.C.,Giraud, M.F.,Lam, J.S.,Graninger, M.,Messner, P.,Mcneil, M.R.,Field, R.A.,Whitfield, C.,Naismith, J.H. Rmlc, a C3' and C5' Carbohydrate Epimerase, Appears to Operate Via an Intermediate with an Unusual Twist Boat Conformation. J.Mol.Biol. 2007 365 146 0 2C6F 16476442 Structure of human somatic angiontensin-I converting enzyme N domain 2005-11-09 2006-11-08 Corradi, H.R.,Schwager, S.L.U.,Nchinda, A.T.,Sturrock, E.D.,Acharya, K.R. Crystal Structure of the N Domain of Human Somatic Angiotensin I-Converting Enzyme Provides a Structural Basis for Domain-Specific Inhibitor Design. J.Mol.Biol. 2006 357 964 0 2C6U 17132623 Crystal structure of human CLEC-2 (CLEC1B) 2005-11-11 2006-11-20 Watson, A.A.,Brown, J.,Harlos, K.,Eble, J.A.,Walter, T.S.,O'Callaghan, C.A. The Crystal Structure and Mutational Binding Analysis of the Extracellular Domain of the Platelet-Activating Receptor Clec-2. J.Biol.Chem. 2007 282 3165 0 2O2Y 17327670 The crystal structure of P. falciparum enoyl acyl carrier protein reductase 2006-11-30 2006-12-26 Muench, S.P.,Prigge, S.T.,McLeod, R.,Rafferty, J.B.,Kirisits, M.J.,Roberts, C.W.,Mui, E.J.,Rice, D.W. Studies of Toxoplasma gondii and Plasmodium falciparum enoyl acyl carrier protein reductase and implications for the development of antiparasitic agents ACTA CRYSTALLOGR.,SECT.D 2007 63 328 338 2IZ1 17222187 6PDH complexed with PEX inhibitor synchrotron data 2006-07-23 2007-01-23 Sundaramoorthy, R.,Iulek, J.,Barrett, M.P.,Bidet, O.,Ruda, G.F.,Gilbert, I.H.,Hunter, W.N. Crystal Structures of a Bacterial 6- Phosphogluconate Dehydrogenase Reveal Aspects of Specificity, Mechanism and Mode of Inhibition by Analogues of High-Energy Reaction Intermediates. FEBS J. 2007 274 275 0 2JCA 21595442 Crystal structure of the streptomyces coelicolor holo- [Acyl-carrier-protein] Synthase (AcpS) at 2 A. 2006-12-21 2007-01-30 Dall'Aglio, P.,Arthur, C.,Williams, C.,Vasilakis, K.,Maple, H.J.,Crosby, J.,Crump, M.P.,Hadfield, A.T. Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry 2011 50 5704 0 2HIG 17207816 Crystal Structure of Phosphofructokinase apoenzyme from Trypanosoma brucei. 2006-06-29 2007-02-13 Martinez-Oyanedel, J.,McNae, I.W.,Nowicki, M.W.,Keillor, J.W.,Michels, P.A.,Fothergill-Gilmore, L.A.,Walkinshaw, M.D. The First Crystal Structure of Phosphofructokinase from a Eukaryote: Trypanosoma brucei. J.Mol.Biol. 2007 366 1185 1198 2J4T 17279775 Biological and Structural Features of Murine Angiogenin-4, an Angiogenic Protein 2006-09-05 2007-02-20 Crabtree, B.,Holloway, D.E.,Baker, M.D.,Acharya, K.R.,Subramanian, V. Biological and Structural Features of Murine Angiogenin-4, an Angiogenic Protein Biochemistry 2007 46 2431 0 2CBX 16604208 X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with beta-D-erythrofuranosyl- adenosine 2006-01-09 2007-03-06 Cobb, S.L.,Deng, H.,McEwan, A.R.,Naismith, J.H.,O'Hagan, D.,Robinson, D.A. Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates. Org. Biomol. Chem. 2006 4 1458 1460 2JC4 17318183 3'-5' exonuclease (NExo) from Neisseria Meningitidis 2006-12-19 2007-03-06 Carpenter, E.P.,Corbett, A.,Thomson, H.,Adacha, J.,Jensen, K.,Bergeron, J.,Kasampalidis, I.,Exley, R.,Winterbotham, M.,Tang, C.,Baldwin, G.S.,Freemont, P. Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis. Embo J. 2007 26 1363 0 2HI9 17337440 Crystal Structure of human native protein C inhibitor 2006-06-29 2007-03-13 Li, W.,Adams, T.E.,Kjellberg, M.,Stenflo, J.,Huntington, J.A. Structure of native protein C inhibitor provides insight into its multiple functions. J.Biol.Chem. 2007 282 13759 13768 2H9J 17120266 Structure of Hen egg white lysozyme soaked with Ni2-Xylylbicyclam 2006-06-10 2007-04-10 Hunter, T.M.,McNae, I.W.,Simpson, D.P.,Smith, A.M.,Moggach, S.,White, F.,Walkinshaw, M.D.,Parsons, S.,Sadler, P.J. Configurations of nickel-cyclam antiviral complexes and protein recognition. Chemistry 2007 13 40 50 2H9K 17120266 Structure of Hen egg white lysozyme soaked with Ni-cyclam 2006-06-10 2007-04-10 Hunter, T.M.,McNae, I.W.,Simpson, D.P.,Smith, A.M.,Moggach, S.,White, F.,Walkinshaw, M.D.,Parsons, S.,Sadler, P.J. Configurations of nickel-cyclam antiviral complexes and protein recognition. Chemistry 2007 13 40 50 2UVD 17894349 The crystal structure of a 3-oxoacyl-(acyl carrier protein) reductase from Bacillus anthracis (BA3989) 2007-03-09 2007-04-17 Zaccai, N.R.,Carter, L.G.,Berrow, N.S.,Sainsbury, S.,Nettleship, J.E.,Walter, T.S.,Harlos, K.,Owens, R.J.,Wilson, K.S.,Stuart, D.I.,Esnouf, R.M. Crystal Structure of a 3-Oxoacyl-(Acylcarrier Protein) Reductase (Ba3989) from Bacillus Anthracis at 2.4-A Resolution. Proteins: Struct., Funct., Bio 2008 70 562 0 2UWL 17420122 Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa 2007-03-22 2007-04-24 Young, R.J.,Brown, D.,Burns-Kurtis, C.L.,Chan, C.,Convery, M.A.,Hubbard, J.A.,Kelly, H.A.,Pateman, A.J.,Patikis, A.,Senger, S.,Shah, G.P.,Toomey, J.R.,Watson, N.S.,Zhou, P. Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett. 2007 17 2927 0 2OFE 17391699 The Crystal structure of Sclerotium rolfsii lectin in complex with N-acetyl-D-glucosamine 2007-01-03 2007-05-01 Leonidas, D.D.,Swamy, B.M.,Hatzopoulos, G.N.,Gonchigar, S.J.,Chachadi, V.B.,Inamdar, S.R.,Zographos, S.E.,Oikonomakos, N.G. Structural Basis for the Carbohydrate Recognition of the Sclerotium rolfsii Lectin J.Mol.Biol. 2007 368 1145 1161 2CMY 17640870 Crystal complex between bovine trypsin and Veronica hederifolia trypsin inhibitor 2006-05-16 2007-05-22 Conners, R.,Konarev, A.,Forsyth, J.,Lovegrove, A.,Marsh, J.,Joseph-Horne, T.,Shewry, P.,Brady, R.L. An Unusual Helix-Turn-Helix Protease Inhibitory Motif in a Novel Trypsin Inhibitor from Seeds of Veronica (Veronica Hederifolia L.). J.Biol.Chem. 2007 282 27760 0 2JCK 17493636 Crystal structure of alpha-1,3 Galactosyltransferase (R365K) in complex with UDP and 2 manganese ion 2006-12-26 2007-05-22 Jamaluddin, H.,Tumbale, P.,Withers, S.G.,Acharya, K.R.,Brew, K. Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis. J.Mol.Biol. 2007 369 1270 0 2JH7 17491595 Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 6'-sialyl-N-acetyllactosamine 2007-02-20 2007-05-22 Blumenschein, T.M.A.,Friedrich, N.,Childs, R.A.,Saouros, S.,Carpenter, E.P.,Campanero-Rhodes, M.A.,Simpson, P.,Chai, W.,Koutroukides, T.,Blackman, M.J.,Feizi, T.,Soldati-Favre, D.,Matthews, S. Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii. Embo J. 2007 26 2808 0 2JHD 17491595 Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 3'-sialyl-N-acetyllactosamine 2007-02-21 2007-05-22 Blumenschein, T.M.A.,Friedrich, N.,Childs, R.A.,Saouros, S.,Carpenter, E.P.,Campanero-Rhodes, M.A.,Simpson, P.,Chai, W.,Koutroukides, T.,Blackman, M.J.,Feizi, T.,Soldati-Favre, D.,Matthews, S. Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii. Embo J. 2007 26 2808 0 2OPS 17441703 Crystal Structure of Y188C Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X. 2007-01-30 2007-05-22 Ren, J.,Nichols, C.E.,Chamberlain, P.P.,Weaver, K.L.,Short, S.A.,Chan, J.H.,Kleim, J.P.,Stammers, D.K. Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases. J.Med.Chem. 2007 50 2301 2309 2JFC 17503096 M144L mutant of Nitrite Reductase from Alcaligenes xylosoxidans in space group P212121 2007-01-31 2007-05-29 Paraskevopoulos, K.,Hough, M.A.,Sawers, R.G.,Eady, R.R.,Hasnain, S.S. The Structure of the met144Leu Mutant of Copper Nitrite Reductase from Alcaligenes Xylosoxidans Provides the First Glimpse of a Protein-Protein Complex with Azurin II. J.Biol.Inorg.Chem. 2007 12 789 0 2JCO 17493636 Crystal structure of wild type alpha-1,3 Galactosyltransferase in the absence of ligands 2006-12-28 2007-06-05 Jamaluddin, H.,Tumbale, P.,Withers, S.G.,Acharya, K.R.,Brew, K. Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis. J.Mol.Biol. 2007 369 1270 0 2HW1 19237742 Crystal structure of human ketohexokinase complexed to different sugar molecules 2006-07-31 2007-07-10 Trinh, C.H.,Asipu, A.,Bonthron, D.T.,Phillips, S.E. Structures of alternatively spliced isoforms of human ketohexokinase. Acta Crystallogr.,Sect.D 2009 65 201 211 2OFF 17600143 The crystal structure of Glycogen Phosphorylase b in complex with a potent allosteric inhibitor 2007-01-03 2007-08-07 Tiraidis, C.,Alexacou, K.-M.,Zographos, S.E.,Leonidas, D.D.,Gimisis, T.,Oikonomakos, N.G. FR258900, a potential anti-hyperglycemic drug, binds at the allosteric site of glycogen phosphorylase Protein Sci. 2007 16 1773 1782 2PLX 17640870 Trypsin complexed to a synthetic peptide from Veronica hederifolia 2007-04-20 2007-08-07 Conners, R.,Konarev, A.V.,Forsyth, J.,Lovegrove, A.,Marsh, J.,Joseph-Horne, T.,Shewry, P.,Brady, R.L. An Unusual Helix-Turn-Helix Protease Inhibitory Motif in a Novel Trypsin Inhibitor from Seeds of Veronica (Veronica hederifolia L.) J.Biol.Chem. 2007 282 27760 27768 2V7I 17924666 PrnB native 2007-07-30 2007-08-07 De Laurentis, W.,Khim, L.,Anderson, J.L.R.,Adam, A.,Phillips, R.S.,Chapman, S.K.,Van Pee, K.-H.,Naismith, J.H. The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily Biochemistry 2007 46 12393 0 2V7M 17924666 PrnB 7-Cl-D-tryptophan complex 2007-07-30 2007-08-07 De Laurentis, W.,Khim, L.,Anderson, J.L.R.,Adam, A.,Phillips, R.S.,Chapman, S.K.,Van Pee, K.-H.,Naismith, J.H. The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily Biochemistry 2007 46 12393 0 2QIN 17715946 Stenotrophomonas maltophilia L1 Metallo-beta-Lactamase Asp-120 Cys mutant 2007-07-05 2007-08-14 Crisp, J.,Conners, R.,Garrity, J.D.,Carenbauer, A.L.,Crowder, M.W.,Spencer, J. Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases. Biochemistry 2007 46 10664 10674 2QJS 17715946 Stenotrophomonas maltophilia L1 metallo-beta-lactamase Asp-120 Asn mutant 2007-07-09 2007-08-21 Crisp, J.,Conners, R.,Garrity, J.D.,Carenbauer, A.L.,Crowder, M.W.,Spencer, J. Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases Biochemistry 2007 46 10664 10674 2V8X 17631896 Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives 2007-08-16 2007-08-28 Brown, C.J.,Mcnae, I.,Fischer, P.M.,Walkinshaw, M.D. Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives. J.Mol.Biol. 2007 372 7 0 2V8Y 17631896 Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives 2007-08-16 2007-08-28 Brown, C.J.,Mcnae, I.,Fischer, P.M.,Walkinshaw, M.D. Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives. J.Mol.Biol. 2007 372 7 0 2JIY 17711306 PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ALA M149 REPLACED WITH TRP (CHAIN M, AM149W) 2007-07-03 2007-09-04 Fyfe, P.K.,Potter, J.A.,Cheng, J.,Williams, C.M.,Watson, A.J.,Jones, M.R. Structural Responses to Cavity-Creating Mutations in an Integral Membrane Protein. Biochemistry 2007 46 10461 0 2JJ0 17711306 PHOTOSYNTHETIC REACTION CENTER MUTANT WITH ALA M248 REPLACED WITH TRP (CHAIN M, AM248W) 2007-07-03 2007-09-04 Fyfe, P.K.,Potter, J.A.,Cheng, J.,Williams, C.M.,Watson, A.J.,Jones, M.R. Structural Responses to Cavity-Creating Mutations in an Integral Membrane Protein. Biochemistry 2007 46 10461 0 2IHT 19477162 Carboxyethylarginine synthase from Streptomyces clavuligerus: SeMet structure 2006-09-27 2007-09-18 Caines, M.E.,Sorensen, J.L.,Schofield, C.J. Structural and mechanistic studies on N(2)-(2-carboxyethyl)arginine synthase. Biochem.Biophys.Res.Commun. 2009 385 512 517 2P5E 17644531 Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC Reveal Native Diagonal Binding Geometry 2007-03-15 2007-09-25 Sami, M.,Rizkallah, P.J.,Dunn, S.,Molloy, P.,Moysey, R.,Vuidepot, A.,Baston, E.,Todorov, P.,Yi, L.,Gao, F.,Boulter, J.M.,Jakobsen, B.K. Crystal structures of high affinity human T-cell receptors bound to peptide major histocompatibility complex reveal native diagonal binding geometry Protein Eng.Des.Sel. 2007 20 397 403 2PYF 17644531 Crystal Structures of High Affinity Human T-Cell Receptors Bound to pMHC RevealNative Diagonal Binding Geometry Unbound TCR Clone 5-1 2007-05-16 2007-09-25 Sami, M.,Rizkallah, P.J.,Dunn, S.,Molloy, P.,Moysey, R.,Vuidepot, A.,Baston, E.,Todorov, P.,Yi, L.,Gao, F.,Boulter, J.M.,Jakobsen, B.K. Crystal structures of high affinity human T-cell receptors bound to peptide major histocompatibility complex reveal native diagonal binding geometry Protein Eng.Des.Sel. 2007 20 397 403 2PZK 17950751 Crystal structure of the Bordetella bronchiseptica enzyme WbmG in complex with NAD 2007-05-18 2007-10-02 King, J.D.,Harmer, N.J.,Preston, A.,Palmer, C.M.,Rejzek, M.,Field, R.A.,Blundell, T.L.,Maskell, D.J. Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis. J.Mol.Biol. 2007 374 749 763 2PZL 17950751 Crystal structure of the Bordetella bronchiseptica enzyme WbmG in complex with NAD and UDP 2007-05-18 2007-10-02 King, J.D.,Harmer, N.J.,Preston, A.,Palmer, C.M.,Rejzek, M.,Field, R.A.,Blundell, T.L.,Maskell, D.J. Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis. J.Mol.Biol. 2007 374 749 763 2Q1W 17950751 Crystal structure of the Bordetella bronchiseptica enzyme WbmH in complex with NAD+ 2007-05-25 2007-10-02 King, J.D.,Harmer, N.J.,Preston, A.,Palmer, C.M.,Rejzek, M.,Field, R.A.,Blundell, T.L.,Maskell, D.J. Predicting protein function from structure--the roles of short-chain dehydrogenase/reductase enzymes in Bordetella O-antigen biosynthesis. J.Mol.Biol. 2007 374 749 763 2NND 17991731 The Structural Identification of the Interaction Site and Functional State of RBP for its Membrane Receptor 2006-10-24 2007-10-30 Redondo, C.,Vouropoulou, M.,Evans, J.,Findlay, J.B. Identification of the retinol-binding protein (RBP) interaction site and functional state of RBPs for the membrane receptor. Faseb J. 2008 22 1043 1054 2NNE 17991731 The Structural Identification of the Interaction Site and Functional State of RBP for its Membrane Receptor 2006-10-24 2007-10-30 Redondo, C.,Vouropoulou, M.,Evans, J.,Findlay, J.B. Identification of the retinol-binding protein (RBP) interaction site and functional state of RBPs for the membrane receptor. Faseb J. 2008 22 1043 1054 2V09 17924657 SENS161-164DSSN mutant of Bacillus subtilis Oxalate Decarboxylase OxdC 2007-05-10 2007-10-30 Burrell, M.R.,Just, V.J.,Bowater, L.,Fairhurst, S.A.,Requena, L.,Lawson, D.M.,Bornemann, S. Oxalate Decarboxylase and Oxalate Oxidase Activities Can be Interchanged with a Specificity Switch of Up to 282 000 by Mutating an Active Site Lid. Biochemistry 2007 46 12327 0 2Z22 18007034 Crystal structure of phosphate preplasmic binding protein psts from yersinia pestis 2007-05-17 2007-10-30 Tanabe, M.,Mirza, O.,Bertrand, T.,Atkins, H.S.,Titball, R.W.,Iwata, S.,Brown, K.A.,Byrne, B. Structures of OppA and PstS from Yersinia pestis indicate variability of interactions with transmembrane domains. Acta Crystallogr.,Sect.D 2007 63 1185 1193 2VA5 17985862 X-ray crystal structure of beta secretase complexed with compound 8c 2007-08-30 2007-11-13 Edwards, P.D.,Albert, J.S.,Sylvester, M.,Aharony, D.,Andisik, D.,Callaghan, O.,Campbell, J.B.,Carr, R.A.,Chessari, G.,Congreve, M.,Frederickson, M.,Folmer, R.H.,Geschwindner, S.,Koether, G.,Kolmodin, K.,Krumrine, J.,Mauger, R.C.,Murray, C.W.,Olsson, L.L.,Patel, S.,Spear, N.,Tian, G. Application of Fragment-Based Lead Generation to the Discovery of Novel, Cyclic Amidine Beta-Secretase Inhibitors with Nanomolar Potency, Cellular Activity, and High Ligand Efficiency. J.Med.Chem. 2007 50 5912 0 2VFZ 17493636 CRYSTAL STRUCTURE OF ALPHA-1,3 GALACTOSYLTRANSFERASE (R365K) IN COMPLEX WITH UDP-2F-GALACTOSE 2007-11-06 2007-11-13 Jamaluddin, H.,Tumbale, P.,Withers, S.G.,Acharya, K.R.,Brew, K. Conformational Changes Induced by Binding Udp-2F-Galactose to Alpha-1,3 Galactosyltransferase-Implications for Catalysis J.Mol.Biol. 2007 369 1270 0 2PF6 17638854 Lutheran glycoprotein, N-terminal domains 1 and 2 2007-04-04 2007-12-04 Mankelow, T.J.,Burton, N.,Stefansdottir, F.O.,Spring, F.A.,Parsons, S.F.,Pedersen, J.S.,Oliveira, C.L.,Lammie, D.,Wess, T.,Mohandas, N.,Chasis, J.A.,Brady, R.L.,Anstee, D.J. The Laminin 511/521-binding site on the Lutheran blood group glycoprotein is located at the flexible junction of Ig domains 2 and 3. Blood 2007 110 3398 3406 2QIJ 17671358 Hepatitis B Capsid Protein with an N-terminal extension modelled into 8.9 A data. 2007-07-04 2007-12-11 Tan, W.S.,McNae, I.W.,Ho, K.L.,Walkinshaw, M.D. Crystallization and X-ray analysis of the T = 4 particle of hepatitis B capsid protein with an N-terminal extension. Acta Crystallogr.,Sect.F 2007 63 642 647 2VKW 18261743 Human NCAM, FN3 domains 1 and 2 2008-01-04 2008-02-26 Carafoli, F.,Saffell, J.L.,Hohenester, E. Structure of the Tandem Fibronectin Type 3 Domains of Neural Cell Adhesion Molecule J.Mol.Biol. 2008 377 524 0 2VEF 18321242 Dihydropteroate synthase from Streptococcus pneumoniae 2007-10-24 2008-03-25 Levy, C.,Minnis, D.,Derrick, J.P. Dihydropteroate Synthase from Streptococcus Pneumoniae: Structure, Ligand Recognition and Mechanism of Sulfonamide Resistance. Biochem.J. 2008 412 379 0 2VR7 18378676 Crystal Structure of G85R ALS mutant of Human Cu,Zn Superoxide Dismutase (CuZnSOD) at 1.58 A resolution 2008-03-28 2008-04-15 Cao, X.,Antonyuk, S.,Seetharaman, S.V.,Whitson, L.J.,Taylor, A.B.,Holloway, S.P.,Strange, R.W.,Doucette, P.A.,Valentine, J.S.,Tiwari, A.,Hayward, L.J.,Padua, S.,Cohlberg, J.A.,Hasnain, S.S.,Hart, P.J. Structures of the G85R Variant of Sod1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem. 2008 283 16169 0 2VWC 18357975 STRUCTURE OF THE HSP90 INHIBITOR MACBECIN BOUND TO THE N-TERMINUS OF YEAST HSP90. 2008-06-20 2008-07-01 Martin, C.J.,Gaisser, S.,Challis, I.R.,Carletti, I.,Wilkinson, B.,Gregory, M.,Prodromou, C.,Roe, S.M.,Pearl, L.H.,Boyd, S.M.,Zhang, M.Q. Molecular Characterisation of Macbecin as an Hsp90 Inhibitor J.Med.Chem. 2008 51 2853 0 2V6H 18374358 Crystal structure of the C1 domain of cardiac myosin binding protein-C 2007-07-18 2008-07-22 Govada, L.,Carpenter, L.,da Fonseca, P.C.,Helliwell, J.R.,Rizkallah, P.,Flashman, E.,Chayen, N.E.,Redwood, C.,Squire, J.M. Crystal structure of the C1 domain of cardiac myosin binding protein-C: implications for hypertrophic cardiomyopathy. J. Mol. Biol. 2008 378 387 397 2VZ1 18771294 Premat-galactose oxidase 2008-07-29 2008-09-16 Rogers, M.S.,Hurtado-Guerrero, R.,Firbank, S.J.,Halcrow, M.A.,Dooley, D.M.,Phillips, S.E.V.,Knowles, P.F.,McPherson, M.J. Cross-Link Formation of the Cysteine 228-Tyrosine 272 Catalytic Cofactor of Galactose Oxidase Does not Require Dioxygen. Biochemistry 2008 47 10428 0 2VZ3 18771294 bleached galactose oxidase 2008-07-29 2008-09-16 Rogers, M.S.,Hurtado-Guerrero, R.,Firbank, S.J.,Halcrow, M.A.,Dooley, D.M.,Phillips, S.E.V.,Knowles, P.F.,McPherson, M.J. Cross-Link Formation of the Cysteine 228-Tyrosine 272 Catalytic Cofactor of Galactose Oxidase Does not Require Dioxygen. Biochemistry 2008 47 10428 0 2VXY 18801997 The structure of FTsZ from Bacillus subtilis at 1.7A resolution 2008-07-15 2008-09-30 Haydon, D.J.,Stokes, N.R.,Ure, R.,Galbraith, G.,Bennett, J.M.,Brown, D.R.,Baker, P.J.,Barynin, V.V.,Rice, D.W.,Sedelnikova, S.E.,Heal, J.R.,Sheridan, J.M.,Aiwale, S.T.,Chauhan, P.K.,Srivastava, A.,Taneja, A.,Collins, I.,Errington, J.,Czaplewski, L.G. An Inhibitor of Ftsz with Potent and Selective Anti-Staphylococcal Activity. Science 2008 321 1673 0 2RIV 21325280 Crystal structure of the reactive loop cleaved human Thyroxine Binding Globulin 2007-10-12 2008-10-14 Qi, X.,Loiseau, F.,Chan, W.L.,Yan, Y.,Wei, Z.,Milroy, L.G.,Myers, R.M.,Ley, S.V.,Read, R.J.,Carrell, R.W.,Zhou, A. Allosteric modulation of hormone release from thyroxine and corticosteroid-binding globulins J.Biol.Chem. 2011 286 16163 16173 2RIW 21325280 The Reactive loop cleaved human Thyroxine Binding Globulin complexed with thyroxine 2007-10-12 2008-10-14 Qi, X.,Loiseau, F.,Chan, W.L.,Yan, Y.,Wei, Z.,Milroy, L.G.,Myers, R.M.,Ley, S.V.,Read, R.J.,Carrell, R.W.,Zhou, A. Allosteric modulation of hormone release from thyroxine and corticosteroid-binding globulins J.Biol.Chem. 2011 286 16163 16173 3EVJ 19452598 Intermediate structure of antithrombin bound to the natural pentasaccharide 2008-10-13 2008-10-21 Langdown, J.,Belzar, K.J.,Savory, W.J.,Baglin, T.P.,Huntington, J.A. The critical role of hinge-region expulsion in the induced-fit heparin binding mechanism of antithrombin. J. Mol. Biol. 2009 386 1278 1289 3B3L Crystal structures of alternatively-spliced isoforms of human ketohexokinase 2007-10-22 2008-10-28 Trinh, C.H.,Asipu, A.,Bonthron, D.T.,Phillips, S.E.V. Crystal structures of alternatively-spliced isoforms of human ketohexokinase To be Published 0 0 0 0 3DY0 18974053 Crystal Structure of Cleaved PCI Bound to Heparin 2008-07-25 2008-10-28 Li, W.,Huntington, J.A. The heparin binding site of protein C inhibitor is protease-dependent. J.Biol.Chem. 2008 283 36039 36045 2VBP 20603104 Isopenicillin N synthase with substrate analogue L,L,L-ACAB (unexposed) 2007-09-14 2008-11-04 Ge, W.,Clifton, I.J.,Stok, J.E.,Adlington, R.M.,Baldwin, J.E.,Rutledge, P.J. Crystallographic Studies on the Binding of Selectively Deuterated Lld- and Lll-Substrate Epimers by Isopenicillin N Synthase. Biochem.Biophys.Res.Commun. 2010 398 659 0 2V4X 19007792 Crystal Structure of Jaagsiekte Sheep Retrovirus Capsid N-terminal domain 2008-09-30 2008-11-25 Mortuza, G.B.,Goldstone, D.C.,Pashley, C.,Haire, L.F.,Palmarini, M.,Taylor, W.R.,Stoye, J.P.,Taylor, I.A. Structure of the Capsid Amino-Terminal Domain from the Betaretrovirus, Jaagsiekte Sheep Retrovirus. J.Mol.Biol. 2009 386 1179 0 2W0Q 19052360 E. coli copper amine oxidase in complex with Xenon 2008-08-20 2008-12-16 Pirrat, P.,Smith, M.A.,Pearson, A.R.,McPherson, M.J.,Phillips, S.E.V. Structure of a Xenon Derivative of Escherichia Coli Copper Amine Oxidase: Confirmation of the Proposed Oxygen-Entry Pathway. Acta Crystallogr.,Sect.F 2008 64 1105 0 3BMO 19916554 Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX4) 2007-12-13 2008-12-16 Tulloch, L.B.,Martini, V.P.,Iulek, J.,Huggan, J.K.,Lee, J.H.,Gibson, C.L.,Smith, T.K.,Suckling, C.J.,Hunter, W.N. Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem. 2010 53 221 229 3BMQ 19916554 Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5) 2007-12-13 2008-12-16 Tulloch, L.B.,Martini, V.P.,Iulek, J.,Huggan, J.K.,Lee, J.H.,Gibson, C.L.,Smith, T.K.,Suckling, C.J.,Hunter, W.N. Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem. 2010 53 221 229 3FLP 19452596 Crystal structure of native heptameric SAP-like pentraxin from Limulus polyphemus 2008-12-19 2009-01-20 Shrive, A.K.,Burns, I.,Chou, H.T.,Stahlberg, H.,Armstrong, P.B.,Greenhough, T.J. Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations. J.Mol.Biol. 2009 386 1240 1254 3FLT 19452596 Crystal structure of PE-bound octameric SAP-like pentraxin from Limulus polyphemus 2008-12-19 2009-01-20 Shrive, A.K.,Burns, I.,Chou, H.T.,Stahlberg, H.,Armstrong, P.B.,Greenhough, T.J. Crystal structures of Limulus SAP-like pentraxin reveal two molecular aggregations. J.Mol.Biol. 2009 386 1240 1254 2W5G 19191310 RNASE A-5'-ATP COMPLEX 2008-12-10 2009-02-17 Holloway, D.E.,Chavali, G.B.,Leonidas, D.D.,Baker, M.D.,Acharya, K.R. Influence of Naturally-Occurring 5'-Pyrophosphate- Linked Substituents on the Binding of Adenylic Inhibitors to Ribonuclease A: An X-Ray Crystallographic Study. Biopolymers 2009 91 995 0 3CUV Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides 2008-04-17 2009-04-21 Czifrak, K.,Kyritsi, C.,Felfoldi, N.,Dosca, T.,Gergely, P.,Chrysina, E.D.,Siafaka-Kapadai, A.,Leonidas, D.D.,Zographos, S.E.,Oikonomakos, N.G. Tracking structure activity relationships of glycogen phosphorylase inhibitors: synthesis, kinetic and crystallographic evaluation of analogues of N-(-D-glucopyranosyl)-N'-oxamides To be Published 0 0 0 0 2W8X 19394347 Structure of the tick ion-channel modulator Ra-KLP 2009-01-20 2009-05-05 Paesen, G.C.,Siebold, C.,Dallas, M.L.,Peers, C.,Harlos, K.,Nuttall, P.A.,Nunn, M.A.,Stuart, D.I.,Esnouf, R.M. An Ion-Channel Modulator from the Saliva of the Brown Ear Tick Has a Highly Modified Kunitz/Bpti Structure. J.Mol.Biol. 2009 389 734 0 2WFY 19472269 Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design 2009-04-15 2009-06-09 Kontopidis, G.,Andrews, M.J.,Mcinnes, C.,Plater, A.,Innes, L.,Renachowski, S.,Cowan, A.,Fischer, P.M. Truncation and Optimisation of Peptide Inhibitors of Cyclin-Dependent Kinase 2-Cyclin a Through Structure-Guided Design. Chemmedchem 2009 4 1120 0 2WGZ 19486884 Crystal structure of alpha-1,3 galactosyltransferase (alpha3GT) in a complex with p-nitrophenyl-beta-galactoside (pNP-beta-Gal) 2009-04-28 2009-06-16 Jamaluddin, H.,Tumbale, P.,Ferns, T.A.,Thiyagarajan, N.,Brew, K.,Acharya, K.R. Crystal Structure of Alpha-1,3 Galactosyltransferase (Alpha3Gt) in a Complex with P-Nitrophenyl-Beta-Galactoside (Pnpbetagal). Biochem.Biophys.Res.Commun. 2009 385 601 0 2WO9 19703773 MMP12 complex with a beta hydroxy carboxylic acid 2009-07-22 2009-09-08 Holmes, I.P.,Gaines, S.,Watson, S.P.,Lorthioir, O.,Walker, A.,Baddeley, S.J.,Herbert, S.,Egan, D.,Convery, M.A.,Singh, O.M.P.,Gross, J.W.,Strelow, J.M.,Smith, R.H.,Amour, A.J.,Brown, D.,Martin, S.L. The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett. 2009 19 5760 0 2WOA 19703773 MMP12 complex with a beta hydroxy carboxylic acid 2009-07-22 2009-09-08 Holmes, I.P.,Gaines, S.,Watson, S.P.,Lorthioir, O.,Walker, A.,Baddeley, S.J.,Herbert, S.,Egan, D.,Convery, M.A.,Singh, O.M.P.,Gross, J.W.,Strelow, J.M.,Smith, R.H.,Amour, A.J.,Brown, D.,Martin, S.L. The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett. 2009 19 5760 0 3IGY 19781556 Crystal structures of Leishmania mexicana phosphoglycerate mutase at high cobalt concentrations 2009-07-29 2009-10-27 Nowicki, M.W.,Kuaprasert, B.,McNae, I.W.,Morgan, H.P.,Harding, M.M.,Michels, P.A.,Fothergill-Gilmore, L.A.,Walkinshaw, M.D. Crystal structures of Leishmania mexicana phosphoglycerate mutase suggest a one-metal mechanism and a new enzyme subclass J.Mol.Biol. 2009 394 535 543 3IGZ 19781556 Crystal structures of Leishmania mexicana phosphoglycerate mutase at low cobalt concentration 2009-07-29 2009-10-27 Nowicki, M.W.,Kuaprasert, B.,McNae, I.W.,Morgan, H.P.,Harding, M.M.,Michels, P.A.,Fothergill-Gilmore, L.A.,Walkinshaw, M.D. Crystal structures of Leishmania mexicana phosphoglycerate mutase suggest a one-metal mechanism and a new enzyme subclass J.Mol.Biol. 2009 394 535 543 3IKN 19799916 Crystal structure of galactose bound trimeric human lung surfactant protein D 2009-08-06 2009-11-17 Shrive, A.K.,Martin, C.,Burns, I.,Paterson, J.M.,Martin, J.D.,Townsend, J.P.,Waters, P.,Clark, H.W.,Kishore, U.,Reid, K.B.M.,Greenhough, T.J. Structural characterisation of ligand-binding determinants in human lung surfactant protein D: influence of Asp325 J.Mol.Biol. 2009 394 776 788 3IKP 19799916 Crystal structure of inositol phosphate bound trimeric human lung surfactant protein D 2009-08-06 2009-11-17 Shrive, A.K.,Martin, C.,Burns, I.,Paterson, J.M.,Martin, J.D.,Townsend, J.P.,Waters, P.,Clark, H.W.,Kishore, U.,Reid, K.B.M.,Greenhough, T.J. Structural characterisation of ligand-binding determinants in human lung surfactant protein D: influence of Asp325 J.Mol.Biol. 2009 394 776 788 3IKR 19799916 Crystal structure of alpha 1-4 mannobiose bound trimeric human lung surfactant protein D 2009-08-06 2009-11-17 Shrive, A.K.,Martin, C.,Burns, I.,Paterson, J.M.,Martin, J.D.,Townsend, J.P.,Waters, P.,Clark, H.W.,Kishore, U.,Reid, K.B.M.,Greenhough, T.J. Structural characterisation of ligand-binding determinants in human lung surfactant protein D: influence of Asp325 J.Mol.Biol. 2009 394 776 788 3IT5 20026068 Crystal Structure of the LasA Virulence Factor from Pseudomonas aeruginosa 2009-08-27 2009-11-17 Spencer, J.,Murphy, L.M.,Conners, R.,Sessions, R.B.,Gamblin, S.J. Crystal structure of the LasA virulence factor from Pseudomonas aeruginosa: substrate specificity and mechanism of M23 metallopeptidases. J.Mol.Biol. 2010 396 908 923 2W0X 20822901 FACTOR INHIBITING HIF-1 ALPHA WITH PYRIDINE 2,4 DICARBOXYLIC ACID 2008-10-10 2009-11-24 Conejo-Garcia, A.,McDonough, M.A.,Loenarz, C.,McNeill, L.A.,Hewitson, K.S.,Ge, W.,Lienard, B.M.,Schofield, C.J.,Clifton, I.J. Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor. Bioorg. Med. Chem. Lett. 2010 20 6125 6128 3IOE 19827080 Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.95 Ang resolution in complex with 5'-deoxy-5'-((R)-3,4-dihydroxybutylthio)-adenosine 2009-08-14 2009-12-01 Scott, D.E.,Dawes, G.J.,Ando, M.,Abell, C.,Ciulli, A. A Fragment-Based Approach to Probing Adenosine Recognition Sites by Using Dynamic Combinatorial Chemistry Chembiochem 2009 10 2772 2779 3JQF 19916554 Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 1,3,5-triazine-2,4,6-triamine (AX2) 2009-09-06 2009-12-08 Tulloch, L.B.,Martini, V.P.,Iulek, J.,Huggan, J.K.,Lee, J.H.,Gibson, C.L.,Smith, T.K.,Suckling, C.J.,Hunter, W.N. Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases. J.Med.Chem. 2010 53 221 229 2WPX 20014241 Tandem GNAT protein from the clavulanic acid biosynthesis pathway (with AcCoA) 2009-08-11 2009-12-29 Iqbal, A.,Arunlanantham, H.,Brown, T.,Chowdhury, R.,Clifton, I.J.,Kershaw, N.J.,Hewitson, K.S.,McDonough, M.A.,Schofield, C.J. Crystallographic and mass spectrometric analyses of a tandem GNAT protein from the clavulanic acid biosynthesis pathway. Proteins 2010 78 1398 1407 2WX5 20112981 Hexa-coordination of a bacteriochlorophyll cofactor in the Rhodobacter sphaeroides reaction centre 2009-11-02 2010-02-09 Frolov, D.,Marsh, M.,Crouch, L.I.,Fyfe, P.K.,Robert, B.,van Grondelle, R.,Hadfield, A.T.,Jones, M.R. Structural and Spectroscopic Consequences of Hexa-Coordination of a Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre Biochemistry 2010 49 1882 0 2WO7 20603104 Isopenicillin N synthase with substrate analogue L,L,D-ACd2Ab (unexposed) 2009-07-22 2010-07-21 Ge, W.,Clifton, I.J.,Stok, J.E.,Adlington, R.M.,Baldwin, J.E.,Rutledge, P.J. Crystallographic Studies on the Binding of Selectively Deuterated Lld- and Lll-Substrate Epimers by Isopenicillin N Synthase. Biochem.Biophys.Res.Commun. 2010 398 659 0 2WKN gamma lactamase from Delftia acidovorans 2009-06-16 2010-09-01 Isupov, M.N.,Line, K.,Gonsalvez, I.S.,Gange-Harris, P.,Lanzotti, M.,Saneei, V.,Littlechild, J.A. The Structure of Gamma Lactamase from Delftia Acidovorans To be Published 0 0 0 0 3NJ8 20698542 Crystal structure of T. gondii enoyl acyl carrier protein reductase with bound triclosan like inhibitor 2010-06-17 2010-09-29 Tipparaju, S.K.,Muench, S.P.,Mui, E.J.,Ruzheinikov, S.N.,Lu, J.Z.,Hutson, S.L.,Kirisits, M.J.,Prigge, S.T.,Roberts, C.W.,Henriquez, F.L.,Kozikowski, A.P.,Rice, D.W.,McLeod, R.L. Identification and development of novel inhibitors of Toxoplasma gondii enoyl reductase. J.Med.Chem. 2010 53 6287 6300 2XW0 20940056 Human serum albumin complexed with dansyl-L-phenylalanine 2010-10-28 2010-11-10 Ryan, A.J.,Ghuman, J.,Zunszain, P.A.,Chung, C.W.,Curry, S. Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin. J.Struct.Biol. 2011 174 84 0 2XW1 20940056 Human serum albumin complexed with dansyl-L-norvaline 2010-10-28 2010-11-10 Ryan, A.J.,Ghuman, J.,Zunszain, P.A.,Chung, C.W.,Curry, S. Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin. J.Struct.Biol. 2011 174 84 0 2Y34 21601578 S-nitrosylated PHD2 (NO exposed) in complex with Fe(II) and UN9 2010-12-18 2010-12-29 Chowdhury, R.,Flashman, E.,Mecinovic, J.,Kramer, H.B.,Kessler, B.M.,Frapart, Y.M.,Boucher, J.L.,Clifton, I.J.,McDonough, M.A.,Schofield, C.J. Studies on the reaction of nitric oxide with the hypoxia-inducible factor prolyl hydroxylase domain 2 (EGLN1). J. Mol. Biol. 2011 410 268 279 3POA 21134638 Structural and functional analysis of phosphothreonine-dependent FHA domain interactions 2010-11-22 2011-01-26 Pennell, S.,Westcott, S.,Ortiz-Lombardia, M.,Patel, D.,Li, J.,Nott, T.J.,Mohammed, D.,Buxton, R.S.,Yaffe, M.B.,Verma, C.,Smerdon, S.J. Structural and functional analysis of phosphothreonine-dependent FHA domain interactions Structure 2010 18 1587 1595 2YDF 21501503 HUMAN SERUM ALBUMIN COMPLEXED WITH IOPHENOXIC ACID 2011-03-18 2011-04-27 Ryan, A.J.,Chung, C.W.,Curry, S. Crystallographic Analysis Reveals the Structural Basis of the High-Affinity Binding of Iophenoxic Acid to Human Serum Albumin. Bmc Struct.Biol. 2011 11 18 0 3QGW 21391610 Crystal Structure of ITK kinase bound to an inhibitor 2011-01-25 2011-06-22 Charrier, J.D.,Miller, A.,Kay, D.P.,Brenchley, G.,Twin, H.C.,Collier, P.N.,Ramaya, S.,Keily, S.B.,Durrant, S.J.,Knegtel, R.M.,Tanner, A.J.,Brown, K.,Curnock, A.P.,Jimenez, J.M. Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible T-cell kinase (Itk) inhibitors J.Med.Chem. 2011 54 2341 2350 3S4G 21839089 Low Resolution Structure of STNV complexed with RNA 2011-05-19 2011-08-03 Lane, S.W.,Dennis, C.A.,Lane, C.L.,Trinh, C.H.,Rizkallah, P.J.,Stockley, P.G.,Phillips, S.E. Construction and crystal structure of recombinant STNV capsids. J.Mol.Biol. 2011 413 41 50 3ZUW 21970763 Photosynthetic Reaction Centre Mutant with TYR L128 replaced with HIS 2011-07-20 2011-11-16 Gibasiewicz, K.,Pajzderska, M.,Potter, J.A.,Fyfe, P.K.,Dobek, A.,Brettel, K.,Jones, M.R. Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps between P(+)B(A)(-) and P(+)H(A)(-). J Phys Chem B 2011 115 13037 0 3ZRP 22751661 Crystal structure and substrate specificity of a thermophilic archaeal serine : pyruvate aminotransferase from Sulfolobus solfataricus 2011-06-17 2012-06-27 Sayer, C.,Bommer, M.,Isupov, M.N.,Ward, J.,Littlechild, J. Crystal Structure and Substrate Specificity of the Thermophilic Serine:Pyruvate Aminotransferase from Sulfolobus Solfataricus Acta Crystallogr.,Sect.D 2012 68 763 0 4AE5 22750855 STRUCTURE OF A MAJOR REGULATOR OF STAPHYLOCOCCAL PATHOGENESIS 2012-01-08 2012-07-04 Henrick, K.,Hirshberg, M. Structure of the Signal Transduction Protein Trap (Target of Rnaiii-Activating Protein). Acta Crystallogr.,Sect.F 2012 68 744 0 4BA5 23519665 Crystal structure of omega-transaminase from Chromobacterium violaceum 2012-09-11 2013-03-27 Sayer, C.,Isupov, M.N.,Westlake, A.,Littlechild, J.A. Structural Studies with Pseudomonas and Chromobacterium [Omega]-Aminotransferases Provide Insights Into Their Differing Substrate Specificity. Acta Crystallogr.,Sect.D 2013 69 564 0 4E52 26953329 Crystal structure of Haemophilus Eagan 4A polysaccharide bound human lung surfactant protein D 2012-03-13 2013-03-27 Clark, H.W.,Mackay, R.M.,Deadman, M.E.,Hood, D.W.,Madsen, J.,Moxon, E.R.,Townsend, J.P.,Reid, K.B.,Ahmed, A.,Shaw, A.J.,Greenhough, T.J.,Shrive, A.K. Crystal Structure of a Complex of Surfactant Protein D (SP-D) and Haemophilus influenzae Lipopolysaccharide Reveals Shielding of Core Structures in SP-D-Resistant Strains. Infect.Immun. 2016 84 1585 1592 4G96 23775083 Crystal structure of calcium2+-free wild-type CD23 lectin domain 2012-07-23 2013-06-26 Yuan, D.,Keeble, A.H.,Hibbert, R.G.,Fabiane, S.,Gould, H.J.,McDonnell, J.M.,Beavil, A.J.,Sutton, B.J.,Dhaliwal, B. Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E. J.Biol.Chem. 2013 288 21667 21677 3ZD8 23821668 Potassium bound structure of E. coli ExoIX in P1 2012-11-26 2013-07-10 Anstey-Gilbert, C.S.,Hemsworth, G.R.,Flemming, C.S.,Hodskinson, M.R.G.,Zhang, J.,Sedelnikova, S.E.,Stillman, T.J.,Sayers, J.R.,Artymiuk, P.J. The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases Nucleic Acids Res. 2013 41 8357 0 4M7H 24293368 Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1 2013-08-12 2013-12-11 Shrive, A.K.,Moeller, J.B.,Burns, I.,Paterson, J.M.,Shaw, A.J.,Schlosser, A.,Sorensen, G.L.,Greenhough, T.J.,Holmskov, U. Crystal Structure of the Tetrameric Fibrinogen-like Recognition Domain of Fibrinogen C Domain Containing 1 (FIBCD1) Protein. J.Biol.Chem. 2014 289 2880 2887 4CWE 26792891 Structural studies of rolling circle replication initiation protein from Staphylococcus aureus 2014-04-02 2015-04-15 Carr, S.B.,Phillips, S.E.,Thomas, C.D. Structures of Replication Initiation Proteins from Staphylococcal Antibiotic Resistance Plasmids Reveal Protein Asymmetry and Flexibility are Necessary for Replication. Nucleic Acids Res. 2016 44 2417 0 5LRI 27687473 PHOTOSYNTHETIC REACTION CENTER MUTANT WITH GLUL212 REPLACED WITH TRP (CHAIN L, EL212W) 2016-08-19 2016-11-09 Friebe, V.M.,Swainsbury, D.J.,Fyfe, P.K.,van der Heijden, W.,Jones, M.R.,Frese, R.N. On the mechanism of ubiquinone mediated photocurrent generation by a reaction center based photocathode. Biochim.Biophys.Acta 2016 1857 1925 1934 5LSE 27687473 PHOTOSYNTHETIC REACTION CENTER MUTANT WITH Glu L212 replaced with Ala (CHAIN L, EL212W), Asp L213 replaced with ALA (Chain L, DL213A) AND LEU M215 REPLACED WITH ALA (CHAIN M, LM215A) 2016-08-25 2016-11-09 Friebe, V.M.,Swainsbury, D.J.,Fyfe, P.K.,van der Heijden, W.,Jones, M.R.,Frese, R.N. On the mechanism of ubiquinone mediated photocurrent generation by a reaction center based photocathode. Biochim.Biophys.Acta 2016 1857 1925 1934 5LOO 28011634 Structure of full length unliganded CodY from Bacillus subtilis 2016-08-09 2017-01-11 Levdikov, V.M.,Blagova, E.,Young, V.L.,Belitsky, B.R.,Lebedev, A.,Sonenshein, A.L.,Wilkinson, A.J. Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis. J. Biol. Chem. 2017 292 2714 2728