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2012 (43)

1 R. Caliandro, D. Dibenedetto, G. L. Cascarano, A. Mazzone and G. Nico Automatic [alpha]-helix identification in Patterson maps Acta Cryst. D68, 1-12

2 A. Sharma, G. J. Palm, M. Kumari, S. Panjikar, M. V. Jagannadham and W. Hinrichs Purification, crystallization and preliminary crystallographic analysis of banyan peroxidase Acta Cryst. F68, 931-934

3 E. Dall and H. Brandstetter Activation of legumain involves proteolytic and conformational events, resulting in a context- and substrate-dependent activity profile Acta Cryst. F68, 24-31

5 Ruggiero, Alessia; Smaldone, Giovanni; Squeglia, Flavia; Berisio, Rita Enhanced Crystallizability by Protein Engineering Approaches: A General Overview Protein and Peptide Letters V19, 732-742.

6 A. Hoeppner, F. Thomas, A. Rueppel, R. Hensel, W. Blankenfeldt, P. Bayer and A. Faust Structure of the corrinoid:coenzyme M methyltransferase MtaA from Methanosarcina mazei Acta Cryst. D68, 1549-1557.

7 A. S. Tanwar, M. Morar, S. Panjikar and R. Anand Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling Acta Cryst. D68, 627-636.

8 S. Brockhauser, O. Svensson, M. W. Bowler, M. Nanao, E. Gordon, R. M. F. Leal, A. Popov, M. Gerring, A. A. McCarthy and A. Gotz The use of workflows in the design and implementation of complex experiments in macromolecular crystallography Acta Cryst. D68, 975-984.

9 A. J. Pietrzyk, S. Panjikar, A. Bujacz, J. Mueller-Dieckmann, M. Lochynska, M. Jaskolski and G. Bujacz High-resolution structure of Bombyx mori lipoprotein 7: crystallographic determination of the identity of the protein and its potential role in detoxification Acta Cryst. D68, 1140-1151.

10 E. M. Quistgaard, P. Nordlund & C. Low High-resolution insights into binding of unfolded polypeptides by the PPIase chaperone SlpA The FASEB. 26 (12).

11 N. Echols, R. W. Grosse-Kunstleve, P. V. Afonine, G. Bunkóczi, V. B. Chen, J. J. Headd, A. J. McCoy, N. W. Moriarty, R. J. Read, D. C. Richardson, J. S. Richardson, T. C. Terwilliger and P. D. Adams Graphical tools for macromolecular crystallography in PHENIX J. Appl. Cryst. . 45, 581-586

12 Nicolas Martinelli, Bettina Hartlieb, Yoshiko Usami, Charles Sabin, Aurelien Dordor, Nolwenn Miguet, Sergiy V. Avilov, Euripedes A. Ribeiro, Heinrich Göttlinger, Winfried Weissenhorn CC2D1A Is a Regulator of ESCRT-III CHMP4B Journal of Molecular Biology . V419, 75-88

13 Kristof Moonens, Julie Bouckaert, Annelies Coddens, Thao Tran, Santosh Panjikar, Maia De Kerpel, Eric Cox, Han Remaut and Henri De Greve Structural insight in histo-blood group binding by the F18 fimbrial adhesin FedF Molecular Microbiology V419, 82-95

14 Vivian Pogenberg, Margrét H Ögmundsdóttir, Kristín Bergsteinsdóttir, Alexander Schepsky, Bengt Phung, Viktor Deineko, Morlin Milewski, Eiríkur Steingrímsson and Matthias Wilmanns Restricted leucine zipper dimerization and specificity of DNA recognition of the melanocyte master regulator MITF Genes & Dev. 26: 2647-2658

15 Santosh Panjikar , Joachim Stoeckigt , Sarah O'Connor and Heribert Warzecha The impact of structural biology on alkaloid biosynthesis research Nat. Prod. Rep. 29, 1176-1200

16 Adrianna P. P. Zhang, Zachary A. Bornholdt, Tong Liu, Dafna M. Abelson, David E. Lee, Sheng Li, Virgil L. Woods Jr, Erica Ollmann Saphire The Ebola Virus Interferon Antagonist VP24 Directly Binds STAT1 and Has a Novel, Pyramidal Fold PLoS Pathog 8(2)

17 Ronnie P. A. Berntsson, Gea K. Schuurman-Wolters, Gary Dunny, Dirk-Jan Slotboom and Bert Poolman Structure and mode of peptide binding of pheromone receptor PrgZ JBC 287(52)

18 Rasa Sukackaite, Saulius Grazulis, Gintautas Tamulaitis and Virginijus Siksnys The recognition domain of the methyl-specific endonuclease McrBC flips out 5-methylcytosine Nucleic Acids Research V40, 7552-7562

19 A. Burkhardt, M. Warmer, S. Panneerselvam, A. Wagner, A. Zouni, C. Glöckner, R. Reimer, H. Hohenberg and A. Meents Fast high-pressure freezing of protein crystals in their mother liquor Acta Cryt. F68, 495-500.

20 Seppe Leysena, Lise Vanderkelenb, Kathleen Van Astena, Steven Vanheuverzwijna, Veronique Theuwisa, Chris W. Michielsb, Sergei V. Strelkov Fast high-pressure freezing of protein crystals in their mother liquor Journal of Structural Biology V180,235-242.

21 Karina Persson mail, Anders Esberg, Rolf Claesson, Nicklas Strömberg The Pilin Protein FimP from Actinomyces oris: Crystal Structure and Sequence Analyses PLOS one 7(10): e48364

22 María A. Oliva, Antonio J. Martin-Galiano Yoshihiko Sakaguchi, and José M. Andreu Tubulin homolog TubZ in a phage-encoded partition system PNAS V109, 7711-7716

23 G. Svensson, W. Award, M. Hakansson, K. Mani, D. T. Logan Crystal Structure of N-Glycosylated Human Glypican-1 Core Protein STRUCTURE OF TWO LOOPS EVOLUTIONARILY CONSERVED IN VERTEBRATE GLYPICAN-1 JBC 287, 14040-14051.

24 Marcus Fislage, Martine Roovers, Irina Tuszynska, Janusz M. Bujnicki, Louis Droogmans and Wim Versées Crystal structures of the tRNA:m2G6 methyltransferase Trm14/TrmN from two domains of life Nucleic Acids Research V40, 5149-5161.

25 Lianli Sun, Yixin Chen, Chitra Rajendran, Uwe Mueller, Santosh Panjikar, Meitian Wang, Rebekka Mindnich, Cindy Rosenthal, Trevor M. Penning and Joachim Stoeckigt Crystal structure of perakine reductase, a founding member of a novel Aldo-Keto reductase (AKR) subfamily which undergoes unique conformational changes during NADPH binding JBC 287 (52).

26 Philipp Ellinger, Zihni Arslan, Reinhild Wurm, Britta Tschapek, Colin MacKenzie, Klaus Pfeffer, Santosh Panjikar, Rolf Wagner, Lutz Schmitt, Holger Gohlked, Ümit Pulb, Sander H.J. Smits The crystal structure of the CRISPR-associated protein Csn2 from Streptococcus agalactiae Journal of Structural Biology V178, 350-362.

27 Babu A. Manjasetty, Xiao-Hong Yu, Santosh Panjikar, Goro Taguchi, Mark R. Chance, Chang-Jun Liu Structural basis for modification of flavonol and naphthol glucoconjugates by Nicotiana tabacum malonyltransferase (NtMaT1) Metabolic Plant Biology. Volume 236, Issue 3, pp 781-793

28 K. Banaszak, V. Martin-Dlaconescu, M. Bellucci, B. Zambelli, W. Rypniwski, M. J. Maroney, S. Clurll. Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni2+ and Zn2+ reveals a role for the disordered C-terminal arm in metal trafficking Biochem. J. Volume 441, 1017-1026.

29 Aribam Swarmistha Devi, Yohsuke Ogawa, Yoshihiro Shimoji, Subramanian Balakumar, Karthe Ponnuraj Collagen adhesin-nanoparticle interaction impairs adhesin's ligand binding mechanism. BBA Volume 1820, 819-828.

30 Franka Voigt, Michael Reuter, Anisa Kasaruho, Eike C. Schulz, Ramesh S. Pillai and Orsolya Barabas Crystal structure of the primary piRNA biogenesis factor Zucchini reveals similarity to the bacterial PLD endonuclease Nuc RNA 18: 2128-2134

31 D. Ferrero, M. Buxaderas, J. F. Rodriguez and N. Verdaguer Purification, crystallization and preliminary X-ray diffraction analysis of the RNA-dependent RNA polymerase from Thosea asigna virus Acta Cryst. F68, 1263-1266.

32 S. Pellegrino, D. de Sanctis, S. McSweeney and J. Timmins Expression, purification and preliminary structural analysis of the coiled-coil domain of Deinococcus radiodurans RecN Acta Cryst. F68, 218-221.

33 Babu A. Manjasetty, Konrad Büssow, Santosh Panjikar, Andrew P. Turnbull Current methods in structural proteomics and its applications in biological sciences 3Biotech. V2, 89-113.

34 Somnath Mukherjee, Amlan Roychowdhury, Debajyoti Dutta, Amit Kumar Das Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop Biochimie 2532-2544.

35 Ashwani Sharma, Manickam Yogave, Amit Sharma Utility of anion and cation combinations for phasing of protein structures Journal of Structural and Functional Genomics V13, 135-143.

36 Pravin Kumar Ankush Jagtap, Vijay Soni, Neha Vithani, Gagan Deep Jhingan, Vaibhav Singh Bais1, Vinay Kumar Nandicoori and Balaji Prakash Substrate bound crystal structures reveal features unique to Mycobacterium tuberculosis N-acetyl-glucosamine-1-phosphate uridyltransferase and a catalytic mechanism for acetyltransfer. Journal of Structural and Functional Genomics V287(52)

37 McLuskey K, Rudolf J, Proto WR, Isaacs NW, Coombs GH, Moss CX, Mottram JC. Crystal structure of a Trypanosoma brucei metacaspase. PNAS V109, 7469-7674.

38 Peat TS, Böttcher C, Newman J, Lucent D, Cowieson N, Davies C. Crystal Structure of an Indole-3-Acetic Acid Amido Synthetase from Grapevine Involved in Auxin Homeostasis. The Plant Cell Nov 9. [Epub ahead of print]

39 Guskov A, Nordin N, Reynaud A, Engman H, Lundbäck AK, Jong AJ, Cornvik T, Phua T, Eshaghi S. Structural insights into the mechanisms of Mg2+ uptake, transport, and gating by CorA PNAS V109, 18459-18464.

40 D. Rodríguez, M. Sammito, K. Meindl, I. M. de Ilarduya, M. Potratz, G. M. Sheldrick and I. Usón Practical structure solution with ARCIMBOLDO Acta Cryst. D68, 336-343

41 Zhu JY, Fu ZQ, Chen L, Xu H, Chrzas J, Rose J, Wang BC. Structure of the Archaeoglobus fulgidus orphan ORF AF1382 determined by sulfur SAD from a moderately diffracting crystal Acta Cryst. D68, 1242-1252.

42 Oliveira T, Panjikar S, Carrigan JB, Hamza M, Sharkey MA, Engel PC, Khan AR. Crystal Structure of NAD-dependent Peptoniphilus Asaccharolyticus Glutamate Dehydrogenase Reveals Determinants of Cofactor Specificity J. Struct. Biol. 177(2), 543-552.

43 V. Ramraj, G. Evans, J. M. Diprose and R. M. Esnouf Nearest-cell: a fast and easy tool for locating crystal matches in the PDB Acta Cryst. D68, 1697-1700.

2011 (34)

1 Franz, L. P., Douzi, B., Durand, E., Dyer, D. H., Voulhoux R.& Forest K. T. Structure of the minor pseudopilin XcpW from the Pseudomonas aeruginosa type II secretion system Acta Cryst. D67, 124-130.

2 Hastie, K. M., Kimberlina, C. R., Zandonattia, M. A., MacRaeb, & I. J. & Saphire , E. O. Structure of the Lassa virus nucleoprotein reveals a dsRNA-specific 3' to 5' exonuclease activity essential for immune suppression PNAS Vol 208 2396-2401

3 Ruggiero1, A., Squeglia1, F., Marasco, D., Marchetti, R., Molinaro, A. & Berisio1 R. X-ray structural studies of the entire extra-cellular region of the Ser/Thr kinase PrkC from Staphylococcus aureus JBC a head of print.

4 Ruggiero, A., Squeglia, F., Pirone,L. Correale, S., & Berisio, R. Expression, purification, crystallization and preliminary X-ray crystallographic analysis of a major fragment of the resuscitation-promoting factor RpfB from Mycobacterium tuberculosis Acta Cryst. F67, 164-168

5 King-Scott, J,. Konarev, P. V., Panjikar,S., Jordanova,R., Svergun, D. I.& Tucker, P. A. Structural Characterization of the Multidomain Regulatory Protein Rv1364c from Mycobacterium tuberculosis Structure Volume 19, Issue 1, 56-69,

6 Zander, U., Faust, A., Klink, B.U., de Sanctis, D., Panjikar S., Quentmeier, A., Bardischewsky, F. , Friedrich, C.G., Scheidig, A.J. Structural basis for the oxidation of protein-bound sulfur by the sulfur cycle molybdohemo-enzyme sulfane dehydrogenase SOXCD JBC In press.

7 Leysen, S., Herreweghe, J.M., Callewaert, L., Heirbaut, M., Buntinx1, P., Michiels, C.W. and Strelkov, S.V. Molecular Basis of Bacterial Defense against Host Lysozymes: X-ray Structures of Periplasmic Lysozyme Inhibitors PliI and PliC JMB (405), 1233-1245

8 Luís S.A, Alves V.D., Romăo M.J., Prates J.A.M., Fontesa, C.M.G.A and Najmudina,S. Overproduction, purification, crystallization and preliminary X-ray characterization of a novel carbohydrate-binding module of endoglucanase Cel5A from Eubacterium cellulosolvens Acta Cryst. F67, 491-493.

9 Pannu, N.S.,Waterreus, W. Skubák, P., Sikharulidze I.,Abrahams J.P. and de Graaff,R. A.G. Recent advances in the CRANK software suite for experimental phasing Acta Cryst. D67, 331-337.

10 Leverrier, P., Declercq, J., Denoncin, K., Vertommen, D.,Hiniker, A., Cho, S., and Collet, J. CRYSTAL STRUCTURE OF THE OUTER MEMBRANE PROTEIN RCSF, A NEW SUBSTRATE FOR THE PERIPLASMIC PROTEIN DISULFIDE ISOMERASE DSBC JBC in press.

11 Chavarría M, Santiago C, Platero R, Krell T, Casasnovas JM, de Lorenzo V. Fructose 1-phosphate is the preferred effector of the metabolic regulator Cra of Pseudomonas putida. JBC 286(11):9351-9

12 Meux E, Prosper P, Ngadin A, et al. Glutathione Transferases of Phanerochaete chrysosporium S-GLUTATHIONYL-p-HYDROQUINONE REDUCTASE BELONGS TO A NEW STRUCTURAL CLASS JBC 286(11):9162-9173

13 van den Bedem H, Wolf G, Xu QP, et al. Distributed structure determination at the JCSG Acta Cryst. D67, 368-375

14 V. Dhanasekaran, D. Velmurugan SAD Phasing with in-house Cu-Ka radiation using barium as anomalous scatterer. J. Biochem. & Biophy. 48(6), 399-405.

15 Sakshibeedu Rajegowda Bharath, Shveta Bisht, Handanhal Subbarao Savithri, Mattur Ramabhadrashastry Narasimha Murthy Crystal structures of open and closed forms of D-serine deaminase from Salmonella typhimurium - implications on substrate specificity and catalysis PLOS ONE. V278, 2879-2891.

16 A. S. Luís, V. D. Alves, M. J. Romăo, J. A. M. Prates, C. M. G. A. Fontes and S. Najmudin Overproduction, purification, crystallization and preliminary X-ray characterization of a novel carbohydrate-binding module of endoglucanase Cel5A from Eubacterium cellulosolvens Acta Cryst. F67, 491-493

17 Adams et al., The Phenix software for automated determination of macromolecular structures Methods 94-106

18 E. M. Quistgaard, P. Nordlund C. Loew. High-resolution insights into binding of unfolded polypeptides by the PPIase chaperone SlpA. The FASEB Journal 26(12)

19 Julianna Solomons, Charles Sabin, Emilie Poudevigne, Yoshiko Usami, David Lutje Hulsik, Pauline Macheboeuf, Bettina Hartlieb, Heinrich Göttlinger, Winfried Weissenhorn Structural Basis for ESCRT-III CHMP3 Recruitment of AMSH Structure V19, 1149-1159.

20 Ulrich Eckhard, Esther Schönauer, Dorota Nüss & Hans Brandstetter Structure of collagenase G reveals a chew-and-digest mechanism of bacterial collagenolysis Nature Structural & Molecular Biology V18, 1109-1114.

21 M. Pittelkow, B. Tschapek, S. H.J. Smits, Lutz Schmitt, E. Bremer. The Crystal Structure of the Substrate-Binding Protein OpuBC from Bacillus subtilis in Complex with Choline J. Mol. Biol. V18, 53-67.

22 Ryan P. McAndrew, Pamela P. Peralta-Yahya1, Andy DeGiovanni, Jose H. Pereira, Masood Z. Hadi, Jay D. Keasling, Paul D. Adams Structure of a Three-Domain Sesquiterpene Synthase: A Prospective Target for Advanced Biofuels Production Structure. V12, 1730-1731.

23 S. Leysen, J.M. Van Herreweghe, L. Callewaert, M. Heirbaut, P. Buntinx, C.W. Michiels, S.V. Strelkov Molecular Basis of Bacterial Defense against Host Lysozymes: X-ray Structures of Periplasmic Lysozyme Inhibitors PliI and PliC J. Mol. Biol. V405, 1233-1245.

24 Carrasco-López C, Rojas-Altuve A, Zhang W, Hesek D, Lee M, Barbe S, André I, Ferrer P, Silva-Martin N, Castro GR, Martínez-Ripoll M, Mobashery S, Hermoso JA. Crystal Structures of Bacterial Peptidoglycan Amidase AmpD and an Unprecedented Activation Mechanism JBC 286(36), 31714-31722.

25 Xia L, Ruppert M, Wang M, Panjikar S, Lin H, Rajendran C, Barleben L, Stöckigt J. Structures of alkaloid biosynthetic glucosidases decode substrate specificity. ACS chem. Biol. 7(1), 226-234.

26 Chavarría M, Santiago C, Platero R, Krell T, Casasnovas JM, de Lorenzo V. Fructose 1-phosphate is the preferred effector of the metabolic regulator cra of Pseudomonas putida JBC 286(11), 9351-9359.

27 Volkers G, Palm GJ, Weiss MS, Wright GD, Hinrichs W. Structural basis for a new tetracycline resistance mechanism relying on the TetX monooxygenase FEBS 585(7), 1061-1066.

28 Shi D, Li Y, Cabrera-Luque J, Jin Z, Yu X, Zhao G, Haskins N, Allewell NM, Tuchman M. A novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris. PLOS one 6(12),

29 Lira-Navarrete E, Valero-González J, Villanueva R, Martínez-Júlvez M, Tejero T, Merino P, Panjikar S, Hurtado-Guerrero R. Structural insights into the mechanism of protein O-fucosylation. PLOS one 6(9),

30 D. Chrysina, E.; Chajistamatiou, A.; Chegkazi, M. From Structure-Based to Knowledge-Based Drug Design Through X-Ray Protein Crystallography: Sketching Glycogen Phosphorylase Binding Sites Current Medical Chemistry V18, 2620-2629.

31 J. Unge, C. Mueller-Dieckmann, S. Panjikar, P. A. Tucker, V. S. Lamzin and M. S. Weiss On the routine use of soft X-rays in macromolecular crystallography. Part V. Molecular replacement and anomalous scattering Acta Cryst. D67, 729-738.

32 Li Y, Jin Z, Yu X, Allewell NM, Tuchman M, Shi D. The ygeW encoded protein from Escherichia coli is a knotted ancestral catabolic transcarbamylase Proteins 79(7), 2327-2334.

33 A. S. Luís, V. D. Alves, M. J. Romăo, J. A. M. Prates, C. M. G. A. Fontes and S. Najmudin Overproduction, purification, crystallization and preliminary X-ray characterization of a novel carbohydrate-binding module of endoglucanase Cel5A from Eubacterium cellulosolvens Proteins 79(7), 2327-2334.

34 Preu J, Panjikar S, Morth P, Jaiswal R, Karunakar P, Tucker PA. The sensor region of the ubiquitous cytosolic sensor kinase, PdtaS, contains PAS and GAF domain sensing modules J. Struc. Biol. 177(2), 498-505.

2010 (28)

1 Wellenreuther, G., Parthasarathy, V. and Meyer-Klaucke, W. High-resolution insights into binding of unfolded polypeptides by the PPIase chaperone SlpA J. of Synchrotron Radiation Volume: 17 Pages: 25-35

2 Ivanov, I., Crepin, T., Jamin, M. and Ruigrok, R. W.H. Structure of the dimerisation domain of the rabies virus phosphoprotein J. Virol. Jan 20 [Epub ahead of print].

3 Forsgren, N., Lamont, R., and Persson, K., Two Intramolecular Isopeptide Bonds are Identified in the Crystal Structure of the Streptococcus gordonii SspB C-terminal Domain J. Mol. Bio. doi:10.1016/j.jmb.2010.01.065

4 Jeyakanthan, J., Thamotharan, S., Panjikar, S., Kitamura, Y. Nakagawa, N. Shinkai, A., Kuramitsu, S. and Yokoyama S. Expression, purification and X-ray analysis of 1,3-propanediol dehydrogenase (Aq_1145) from Aquifex aeolicus VF5 Acta, Cryst. F Volume: 66 Pages: 184-186

5 Bhatt, T.K., Yogavel, M., Wydau, S., Berwal, R. and Sharma, A. Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of d-Amino Acid Deacylase J Biol Chem. Volume: 285(8) Pages: 5917-5930.

6 McCoy A. J. & Read R. J. Experimental phasing: best practice and pitfalls. Acta Cryst. D66, 458-469.

7 Sheldrick, G. M. Experimental phasing with SHELXC/D/E: combining chain tracing with density modification. Acta Cryst. D66, 479.

8 Klumpler T., Sedladek V., J. Marek, M. Wimmerova & I. Kudera Crystallization and initial X-ray diffraction studies of the flavoenzyme NAD(P)H:(acceptor) oxidoreductase (FerB) from the soil bacterium Paracoccus denitrificans Acta Cryst. F66, 431.

9 Beck T., Gruen T., & Sheldrick, G. M. The magic triangle goes MAD: experimental phasing with a bromine derivative Acta Cryst. D66, 374-380

10 H. Tuominen, A. Salminen, E. Oksanen, J. Jaemsen, O. Heikkilae, L. Lehtioe, N.N. Magretova, A. Goldman, A.A. Baykov, and R. Lahti Crystal Structures of the CBS and DRTGG Domains of the Regulatory Region of Clostridium perfringens Pyrophosphatase Complexed with the Inhibitor, AMP, and Activator, Diadenosine Tetraphosphate Journal of Molecular Biology In press

11 G. Volkers, L. Schuldt, G. J. Palm, G. D. Wright and W. Hinrichs Crystallization and preliminary X-ray crystallographic analysis of the tetracycline-degrading monooxygenase TetX2 from Bacteroides thetaiotaomicron Acta Cryst. F66, 611-614

12 S. Mukherjee, B. Saha, D. Dutta and A. K. Das Purification, crystallization and preliminary X-ray analysis of apo glyceraldehyde-3-phosphate dehydrogenase 1 (GAP1) from methicillin-resistant Staphylococcus aureus (MRSA252) Acta Cryst. F66, 506-508.

13 Manjasetty, B., Turnbull, A.P., Panjikar S. The impact of Structural Proteomics on Biotechnology Biotechnology and Genetic Engineering Reviews vol. 26, pp. 353-370.

14 Hultdin, U.W. Lindberg, S., Grundström, C., Huang, S., Uhlin, B. E. & Sauer-Eriksson, A.E. Structure of FocB - a member of a family of transcription factors regulating fimbrial adhesin expression in uropathogenic Escherichiażcoli FEBS J. 277 (16), 3368-3381.

15 Cymborowski, M., Klimecka, M., Chruszcz, M., Zimmerman, M.D.Shumilin, A., Borek, D., Lazarski, K. Joachimiak, A., Otwinowski, Z. & Anderson, W. To automate or not to automate: this is the question. J. Struct. Funct. Genomics DOI: 10.1007/s10969-010-9092-9

16 Faust, A., Puhringer, S., Darowski, N., Panjikar S. Diederichs, K., Muller, U., Weiss, M., Update on the Tutorial for Learning and Teaching Macromolecular Crystallography J. Appl. Cryst. In press

17 Sauer, F., Vahokoski, J., Song, Y.H., Wilmanns, M. Molecular basis of the head-to-tail assembly of giant muscle proteins obscurin-like 1 and titin. Embo Rep. 11: 534-540

18 Mukherjeea, S., Duttaa, D., Sahaa, B. and Das, A.K. Crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase 1 from Methicillin-Resistant Staphylococcus aureus MRSA252 Provides Novel Insights into Substrate Binding and Catalytic Mechanism J. Mol. Bio. in press

19 Ruggiero, A.; Squeglia, F.; Izzo, V.; Silipo, A.; Vitagliano, L.; Molinaro, A.; Berisio, R. Expression, Purification, Crystallization and Preliminary X-Ray Crystallographic Analysis of the Peptidoglycan Binding Region of the Ser/Thr Kinase PrkC from Staphylococcus aureus Protein and Peptide Letters, 17 (10), 1296-1299(4).

20 Jain, D. & Lamour, V. Computational Tools in Protein Crystallography Methods in Molecular Biology 673, 129-156.

21 Yang, L., & Stoeckigt, J. Trends for diverse production strategies of plant medicinal alkaloids Natural Product Reports 27(10), 1469-1479.

22 Duke E. M. H. & Johnson L. N. Macromolecular crystallography at synchrotron radiation sources: current status and future developments. Natural Product Reports 27(10), 1469-1479.

23 Tao, Z., Li-Jie, W., Yuan-Xin, G., Chao-De Z. & Hai-Fu F. Combining SAD/SIR iteration and MR iteration in partial-model extension of proteins. Chin. Phys. B 19, 96-101.

24 Zhang, Y. Buchko, G.W., Qin, L., Robinson, H. & Varnum, S.M. Structural analysis of the receptor binding domain of botulinum neurotoxin serotype D Biochemical and Biophysical Research Communications 401(4), 498-503.

25 Meux, E., Prosper,P., Ngadin,A., Didierjean,C., Morel,M., Dumarcay,S. & Lamant,T. Glutathione transferases of phanerochaete chrysosporium: a S-glutathionyl-P-hydroquinone reductase belongs to a new structural class J. Biol. Chem. ahead of print.

26 FAN H.H. Direct methods beyond small-molecule crystallography PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE Volume: 207 Issue: 12 Pages: 2621-2638

27 Elsliger, M.A., Deacon, A.M., Godzik, A., Lesley, S.A., Wooley, J., Wuethrich, K., & Wilson, I. A. The JCSG high-throughput structural biology pipeline Acta Cryst. F66, 1137-1142

28 Zhang, T. Wu, L.J., Gu Y,X., Zgeng, C.& Fan, H.H. Combining SAD/SIR iteration and MR iteration in partial-model extension of proteins CHINESE PHYSICS B Vol19, issue 9

2009 (16)

1 Manolaridis I, Wojdyla JA, Panjikar S, et al. Structure of the C-terminal domain of nsp4 from feline coronavirus ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 65 Pages: 839-846 Part: Part 8 Published: AUG 2009

2 Niefind K, Raaf J, Issinger OG Protein kinase CK2: From structures to insights CELLULAR AND MOLECULAR LIFE SCIENCES Volume: 66 Issue: 11-12 Pages: 1800-1816 Published: JUN 2009

3 Schuldt L, Weyand S, Kefala G, et al. The Three-dimensional Structure of a Mycobacterial DapD Provides Insights into DapD Diversity and Reveals Unexpected Particulars about the Enzymatic Mechanism JOURNAL OF MOLECULAR BIOLOGY Volume: 389 Issue: 5 Pages: 863-879 Published: JUN 26 2009

4 Berntsson RPA, Oktaviani NA, Fusetti F, et al. Selenomethionine incorporation in proteins expressed in Lactococcus lactis PROTEIN SCIENCE Volume: 18 Issue: 5 Pages: 1121-1127 Published: MAY 2009

5 Van Molle I, Moonens K, Buts L, et al. The F4 fimbrial chaperone FaeE is stable as a monomer that does not require self-capping of its pilin-interactive surfaces ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 65 Pages: 411-420 Part: Part 5 Published: MAY 2009

6 Lakomek K, Dickmanns A, Mueller U, et al. Title: De novo sulfur SAD phasing of the lysosomal 66.3 kDa protein from mouse ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 65 Pages: 220-228 Part: Part 3 Published: MAR 2009

7 Carius Y, Rother D, Friedrich CG, et al. The structure of the periplasmic thiol-disulfide oxidoreductase SoxS from Paracoccus pantotrophus indicates a triple Trx/Grx/DsbC functionality in chemotrophic sulfur oxidation ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 65 Pages: 229-240 Part: Part 3 Published: MAR 2009

8 Wiesand U, Sorg I, Amstutz M, et al. Structure of the Type III Secretion Recognition Protein YscU from Yersinia enterocolitica JOURNAL OF MOLECULAR BIOLOGY Volume: 385 Issue: 3 Pages: 854-866 Published: JAN 23 2009

9 Liuqing, Y. , Marco, H., Panjikar S., Meitian, W., Soteckigt, J., Structural Basis and enzymatic Mechanism of the Biosynthesis of C9 from C10 monoterpenoid Indole Alkaloids J. Angewandte Chemi 2009 48(28):5211-5213.

10 Lapkouski, M., Panjikar S., Janscak, P., Smatanova, I.K., Carey, J., Ettrich, R., Csefalvay, E., Structure of the motor subunit of type I restriction-modification complex EcoR124I Nat. Struc. Mol. Bio. (2009). 16(1):94-95.

11 Janowski1,R., Panjikar, S., Eddine, A.N. Kaufmann, S.H.E. and Weiss, M.S. Structural analysis reveals DNA binding properties of Rv2827c, a hypothetical protein from Mycobacterium tuberculosis Journal of Structural and Functional Genomics, (2009) Volume 10, Number 2, 137-150

12 Mukherjee,S., Maity,S. Roy,S., Ghorai,S., Chakrabarti,M., Agarwal, R., Dutta, D., Ghosh, A. K., and Das, A. K. Cloning, overexpression, purification, crystallization and preliminary X-ray diffraction analysis of glyceraldehyde-3-phosphate dehydrogenase from Antheraea mylitta Acta Cryst. (2009). F65, 937-940

13 Wojdyla, J.A., Manolaridis, I., Snijder, E.J., Gorbalenya, A.E., Coutard, B., Piotrowski, Y., Hilgenfeld, R., Tucker, P.A. Structure of the X (ADRP) domain of nsp3 from feline coronavirus Acta Cryst. D65 (12), pp. 1292-1300

14 Panjikar, S., Parthasarathy, V., Lamzin, V.S., Weiss, M.S., Tucker, P.A. On the combination of molecular replacement and single-wavelength anomalous diffraction phasing for automated structure determination Acta Cryst. D65 (10), pp. 1089-1097

15 K. G. Thakur, T. Praveena & B. Gopal Mycobacterium tuberculosis Rv2704 is a member of the YjgF/YER057c/UK114 family. Proteins: Structure, Function, and Bioinformatics 78 (3), pp. 773-778

16 Ranaivoson, F.M. Neiers, F., Kauffmann, B., Boschi-Muller, S.Branlant, G., and Favier, F. Methionine Sulfoxide Reductase B Displays a High Level of Flexibility J. Mol. Bio. 394, 83-93.

2008 (17)

1 Kursula I, Kursula P, Ganter M, et al. Structural Basis for Parasite-Specific Functions of the Divergent Profilin of Plasmodium falciparum STRUCTURE Volume: 16 Issue: 11 Pages: 1638-1648 Published: NOV 12 2008

2 Nguyen VD, Wallis K, Howard MJ, et al. Alternative Conformations of the x Region of Human Protein Disulphide-Isomerase Modulate Exposure of the Substrate Binding b' Domain JOURNAL OF MOLECULAR BIOLOGY Volume: 383 Issue: 5 Pages: 1144-1155 Published: NOV 28 2008

3 Faust A, Panjikar S, Mueller U, et al. A tutorial for learning and teaching macromolecular crystallography JOURNAL OF APPLIED CRYSTALLOGRAPHY Volume: 41 Pages: 1161-1172 Part: Part 6 Published: DEC 2008

4 Garcia-Pino A, Dao-Thi MH, Gazit E, et al. Crystallization of Doc and the Phd-Doc toxin-antitoxin complex ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS Volume: 64 Pages: 1034-1038 Part: Part 11 Published: NOV 2008

5 Jain A, Ziegler J, Liscombe DK, et al. Purification, crystallization and X-ray diffraction analysis of pavine N-methyltransferase from Thalictrum flavum ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS Volume: 64 Pages: 1066-1069 Part: Part 11 Published: NOV 2008

6 Garcia-Pino A, Christensen-Dalsgaard M, Wyns L, et al. Doc of Prophage P1 Is Inhibited by Its Antitoxin Partner Phd through Fold Complementation JOURNAL OF BIOLOGICAL CHEMISTRY Volume: 283 Issue: 45 Pages: 30821-30827 Published: NOV 7 2008

7 Zhou YF, Nan BY, Nan J, et al. C-4-Dicarboxylates Sensing Mechanism Revealed by the Crystal Structures of DctB Sensor Domain JOURNAL OF MOLECULAR BIOLOGY Volume: 383 Issue: 1 Pages: 49-61 Published: OCT 31 2008

8 Essen LO, Mailliet J, Hughes J The structure of a complete phytochrome sensory module in the Pr ground state PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA Volume: 105 Issue: 38 Pages: 14709-14714 Published: SEP 23 2008

9 Langer G, Cohen SX, Lamzin VS, et al. Automated macromolecular model building for X-ray crystallography using ARP/wARP version 7 NATURE PROTOCOLS Volume: 3 Issue: 7 Pages: 1171-1179 Published: 2008

10 Smitst SHJ, Mueller A, Schmitt L, et al. A structural basis for substrate selectivity and stereoselectivity in octopine dehydrogenase from Pecten maximus JOURNAL OF MOLECULAR BIOLOGY Volume: 381 Issue: 1 Pages: 200-211 Published: AUG 1 2008

11 Rodriguez SM, Panjikar S, Van Belle K, et al. Nonspecific base recognition mediated by water bridges and hydrophobic stacking in ribonuclease I from Escherichia coli PROTEIN SCIENCE Volume: 17 Issue: 4 Pages: 681-690 Published: APR 2008

12 Maniasetty BA, Turnbull AP, Panjikar S, et al. Automated technologies and novel techniques to accelerate protein crystallography for structural genomics PROTEOMICS Volume: 8 Issue: 4 Pages: 612-625 Published: FEB 2008

13 Stsiapanava A, Koudelakova T, Lapkouski M, et al. Crystals of DhaA mutants from Rhodococcus rhodochrous NCIMB 13064 diffracted to ultrahigh resolution: crystallization and preliminary diffraction analysis ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS Volume: 64 Pages: 137-140 Part: Part 2 Published: FEB 2008

14 Maresh JJ, Giddings LA, Friedrich A, et al. Strictosidine synthase: Mechanism of a Pictet-Spengler catalyzing enzyme JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 130 Issue: 2 Pages: 710-723 Published: JAN 16 2008

15 Keegan RM, Winn MD MrBUMP: an automated pipeline for molecular replacement ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 64 Pages: 119-124 Part: Part 1 Published: JAN 2008

16 Long F, Vagin AA, Young P, et al. BALBES: a molecular-replacement pipeline ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 64 Pages: 125-132 Part: Part 1 Published: JAN 2008

17 Zwart, P.H., Afonine, P.V. Grosse-Kunstleve, R.W. et al., Automated Structure Solution with the PHENIX Suite Methods in Molecular Biology, Structural Proteomics High-Throughput Methods (2008), 419-435

2007 (14)

1 Groves MR Recent advances in automation of x-ray crystallographic beamlines at the EMBL Hamburg outstation NATO Advanced Research Workshop on Brilliant Light Facilities and Research in Life and Material Sciences, JUL 17-21, 2006 Yerevan, ARMENIA Brilliant Light in Life and Material Sciences Book Series: NATO SECURITY THROUGH SCIENCE SERIES B: PHYSICS AND BIOPHYSICS Pages: 133-139 Published: 2007

2 Stockigt J, Panjikar S Structural biology in plant natural product biosynthesis - architecture of enzymes from monoterpenoid indole and tropane alkaloid biosynthesis NATURAL PRODUCT REPORTS Volume: 24 Issue: 6 Pages: 1382-1400 Published: 2007

3 Loris EA, Panjikar S, Ruppert M, et al. Structure-based engineering of strictosidine synthase: Auxiliary for alkaloid libraries CHEMISTRY & BIOLOGY Volume: 14 Issue: 9 Pages: 979-985 Published: SEP 2007

4 Brzezinski K, Stepkowski T, Panjikar S, et al. High-resolution structure of NodZ fucosyltransferase involved in the biosynthesis of the nodulation factor ACTA BIOCHIMICA POLONICA Volume: 54 Issue: 3 Pages: 537-549 Published: 2007

5 Tucker PA, Nowak E, Morth JP Two-component systems of Mycobacterium tuberculosis - Structure-based approaches TWO-COMPONENT SIGNALING SYSTEMS, PT B Book Series: METHODS IN ENZYMOLOGY Volume: 423 Pages: 479-501 Published: 2007

6 Samel SA, Schoenafinger G, Knappe TA, et al. Structural and functional insights into a peptide bond-forming bidomain from a nonribosomal peptide synthetase STRUCTURE Volume: 15 Issue: 7 Pages: 781-792 Published: JUL 2007

7 Burla MC, Caliandro R, Camalli M, et al. IL MILIONE: a suite of computer programs for crystal structure solution of proteins JOURNAL OF APPLIED CRYSTALLOGRAPHY Volume: 40 Pages: 609-613 Part: Part 3 Published: JUN 2007

8 Van Molle I, Joensuu JJ, Buts L, et al. Title: Chloroplasts assemble the major subunit FaeG of Escherichia coli F4 (K88) fimbriae to strand-swapped dimers JOURNAL OF MOLECULAR BIOLOGY Volume: 368 Issue: 3 Pages: 791-799 Published: MAY 4 2007

9 Keegan RM, Winn MD Automated search-model discovery and preparation for structure solution by molecular replacement ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 63 Pages: 447-457 Part: Part 4 Published: APR 2007

10 Groves MR, Muller IB, Kreplin X, et al. A method for the general identification of protein crystals in crystallization experiments using a noncovalent fluorescent dye ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 63 Pages: 526-535 Part: Part 4 Published: APR 2007

11 Mueller-Dieckmann C, Panjikar S, Schmidt A, et al. On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 63 Pages: 366-380 Part: Part 3 Published: MAR 2007

12 King-Scott J, Nowak E, Mylonas E, et al. The structure of a full-length response regulator from Mycobacterium tuberculosis in a stabilized three-dimensional domain-swapped, activated state JOURNAL OF BIOLOGICAL CHEMISTRY Volume: 282 Issue: 52 Pages: 37717-37729 Published: DEC 28 2007

13 Manjasetty,B.A. Shi, W., Zhan, C., Fiser. A. and Chance M.R. A High-Throughput Approach To Protein Structure Analysis Genetic Engineering Principles and Methods, (2007) 105-128

14 Stöckigt, J., Panjikar, S. Ruppert, M. Barleben, L., Ma, X. Loris, E. and Hill1, M. The molecular architecture of major enzymes from ajmaline biosynthetic pathway Phytochemistry Reviews, (2007), 15-34.

2006 (11)

1 Yu YM, Liang YH, Brostromer E, et al. Title: A catalytic mechanism revealed by the crystal structures of the imidazolonepropionase from Bacillus subtilis JOURNAL OF BIOLOGICAL CHEMISTRY Volume: 281 Issue: 48 Pages: 36929-36936 Published: DEC 1 2006

2 Stout J, De Smet L, Panjikar S, et al. Crystallization, preliminary crystallographic analysis and phasing of the thiosulfate-binding protein SoxY from Chlorobium limicola f. thiosulfatophilum ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS Volume: 62 Pages: 1093-1096 Part: Part 11 Published: NOV 2006

3 Mueller-Dieckmann C, Kernstock S, Lisurek M, et al. The structure of human ADP-ribosylhydrolase 3 (ARH3) provides insights into the reversibility of protein ADP-ribosylation PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA Volume: 103 Issue: 41 Pages: 15026-15031 Published: OCT 10 2006

4 Beteva A, Cipriani F, Cusack S, et al. High-throughput sample handling and data collection at synchrotrons: embedding the ESRF into the high-throughput gene-to-structure pipeline ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 62 Pages: 1162-1169 Part: Part 10 Published: OCT 2006

5 Minor W, Cymborowski M, Otwinowski Z, et al. HKL-3000: the integration of data reduction and structure solution - from diffraction images to an initial model in minutes ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 62 Pages: 859-866 Part: Part 8 Published: AUG 2006

6 Ranaivoson FM, Kauffmann B, Neiers F, et al. The X-ray structure of the N-terminal domain of PILB from Neisseria meningitidis reveals a thioredoxin-fold JOURNAL OF MOLECULAR BIOLOGY Volume: 358 Issue: 2 Pages: 443-454 Published: APR 28 2006

7 Ma XY, Panjikar S, Koepke J, et al. The structure of Rauvolfia serpentina strictosidine synthase is a novel six-bladed beta-propeller fold in plant proteins PLANT CELL Volume: 18 Issue: 4 Pages: 907-920 Published: APR 2006

8 Nowak E, Panjikar S, Morth JP, et al. Structural and functional aspects of the sensor histidine kinase PrrB from Mycobacterium tuberculosis STRUCTURE Volume: 14 Issue: 2 Pages: 275-285 Published: FEB 2006

9 Vernede X, Lavault B, Ohana J, et al. UV laser-excited fluorescence as a tool for the visualization of protein crystals mounted in loops ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 62 Pages: 253-261 Part: Part 3 Published: MAR 2006

10 Dauter Z Current state and prospects of macromolecular crystallography ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 62 Pages: 1-11 Part: Part 1 Published: JAN 2006

11 Powell, H. R. Molecular structure from X-ray diffraction Annu. Rep. Prog. Chem., Sect. C: Phys. Chem., 2006, 102, 92 - 130.

2005 (3)

1 Van Molle I, Buts L, Coppens F, et al. Crystallization of the FaeE chaperone of Escherichia coli F4 fimbriae ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS Volume: 61 Pages: 427-431 Part: Part 4 Published: APR 2005

2 Mueller-Dieckmann C, Panjikar S, Tucker PA, et al. On the routine use of soft X-rays in macromolecular crystallography. Part III. The optimal data-collection wavelength ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 61 Pages: 1263-1272 Part: Part 9 Published: SEP 2005

3 Fu ZQ, Rose J, Wang BC SGXPro: a parallel workflow engine enabling optimization of program performance and automation of structure determination ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY Volume: 61 Pages: 951-959 Part: Part 7 Published: JUL 2005

Last Edited: 28.12.2012 by Santosh Panjikar