Prof. Dr. DIETMAR SCHOMBURG

Room:	LK19.201
Phone:	+49.531.391.8301
Fax:	+49.531.391.8302
e-Mail:

Research interests

- Protein structure and function, structural biochemistry, bioinformatics, enzyme information/metabolic networks, systems biology

Publications

• Bao, L.; Chatterjee, S.; Lohmer, S. & Schomburg, D.(2007)
  An Irreversible and Kinetically Controlled Process: Thermal Induced Denaturation of L: -2-Hydroxyisocaproate Dehydrogenase from Lactobacillus confusus.
  Protein J, 26, 143-151. pmid
• Barthelmes, J.; Ebeling, C.; Chang, A.; Schomburg, I. & Schomburg, D.(2007)
  BRENDA, AMENDA and FRENDA: the enzyme information system in 2007.
  Nucleic Acids Res, 35, D511-D514. pmid
• Börner, J.; Buchinger, S. & Schomburg, D.(2007)
  A high-throughput method for microbial metabolome analysis using gas chromatography/mass spectrometry.
  Anal Biochem pmid
• Choi, C.; Münch, R.; Leupold, S.; Klein, J.; Siegel, I.; Thielen, B.; Benkert, B.; Kucklick, M.; Schobert, M.; Barthelmes, J.; Ebeling, C.; Haddad, I.; Scheer, M.; Grote, A.; Hiller, K.; Bunk, B.; Schreiber, K.; Retter, I.; Schomburg, D. & Jahn, D.(2007)
  SYSTOMONAS--an integrated database for systems biology analysis of Pseudomonas.
  Nucleic Acids Res, 35, D533-D537. pmid
• Faust, A.; Niefind, K.; Hummel, W. & Schomburg, D.(2007)
  The structure of a bacterial L-amino acid oxidase from Rhodococcus opacus gives new evidence for the hydride mechanism for dehydrogenation.
  J Mol Biol, 367, 234-248. pmid
• Parthiban, V.; Gromiha, M. M.; Hoppe, C. & Schomburg, D.(2007)
  Structural analysis and prediction of protein mutant stability using distance and torsion potentials: role of secondary structure and solvent accessibility.
  Proteins, 66, 41-52. pmid
• Brüx, C.; Ben-David, A.; Shallom-Shezifi, D.; Leon, M.; Niefind, K.; Shoham, G.; Shoham, Y. & Schomburg, D.(2006)
  The structure of an inverting GH43 beta-xylosidase from Geobacillus stearothermophilus with its substrate reveals the role of the three catalytic residues.
  J Mol Biol, 359, 97-109. pmid
• Faust, A.; Geueke, B.; Niefind, K.; Hummel, W. & Schomburg, D.(2006)
  Crystallization and preliminary X-ray analysis of a bacterial L-amino-acid oxidase from Rhodococcus opacus.
  Acta Crystallograph Sect F Struct Biol Cryst Commun, 62, 279-281. pmid
• Hansen, G.; Harrenga, A.; Wieland, B.; Schomburg, D. & Reinemer, P.(2006)
  Crystal structure of full length topoisomerase I from Thermotoga maritima.
  J Mol Biol, 358, 1328-1340. pmid
• Heuser, P. & Schomburg, D.(2006)
  Optimised amino acid specific weighting factors for unbound protein docking.
  BMC Bioinformatics, 7, 344. pmid
• Parthiban, V.; Gromiha, M. M. & Schomburg, D.(2006)
  CUPSAT: prediction of protein stability upon point mutations.
  Nucleic Acids Res, 34, W239-W242. pmid
• Rahman, S. A. & Schomburg, D.(2006)
  Observing local and global properties of metabolic pathways: 'load points' and 'choke points' in the metabolic networks.
  Bioinformatics, 22, 1767-1774. pmid
• Schoepe, J.; Niefind, K.; Chatterjee, S. & Schomburg, D.(2006)
  Cloning, expression, purification and preliminary crystallographic characterization of a shikimate dehydrogenase from Corynebacterium glutamicum.
  Acta Crystallograph Sect F Struct Biol Cryst Commun, 62, 635-637. pmid
• Apweiler, R.; Cornish-Bowden, A.; Hofmeyr, J. S.; Kettner, C.; Leyh, T. S.; Schomburg, D. & Tipton, K.(2005)
  The importance of uniformity in reporting protein-function data.
  Trends Biochem Sci, 30, 11-12. pmid
• Brüx, C.; Niefind, K.; Ben-David, A.; Leon, M.; Shoham, G.; Shoham, Y. & Schomburg, D.(2005)
  Crystallization and preliminary crystallographic analysis of a family 43 beta-D-xylosidase from Geobacillus stearothermophilus T-6.
  Acta Crystallograph Sect F Struct Biol Cryst Commun, 61, 1054-1057. pmid
• Chatterjee, S.; Schoepe, J.; Lohmer, S. & Schomburg, D.(2005)
  High level expression and single-step purification of hexahistidine-tagged L-2-hydroxyisocaproate dehydrogenase making use of a versatile expression vector set.
  Protein Expr Purif, 39, 137-143. pmid
• Heuser, P.; Baù, D.; Benkert, P. & Schomburg, D.(2005)
  Refinement of unbound protein docking studies using biological knowledge.
  Proteins, 61, 1059-1067. pmid
• Hofmann, O. & Schomburg, D.(2005)
  Concept-based annotation of enzyme classes.
  Bioinformatics, 21, 2059-2066. pmid
• Hoppe, C. & Schomburg, D.(2005)
  Prediction of protein thermostability with a direction- and distance-dependent knowledge-based potential.
  Protein Sci, 14, 2682-2692. pmid
• Kuzu, M.; Niefind, K.; Hummel, W. & Schomburg, D.(2005)
  Crystallization and preliminary crystallographic analysis of a flavoprotein NADH oxidase from Lactobacillus brevis.
  Acta Crystallograph Sect F Struct Biol Cryst Commun, 61, 528-530. pmid
• Rahman, S. A.; Advani, P.; Schunk, R.; Schrader, R. & Schomburg, D.(2005)
  Metabolic pathway analysis web service (Pathway Hunter Tool at CUBIC).
  Bioinformatics, 21, 1189-1193. pmid
• Reichelt, J.; Dieterich, G.; Kvesic, M.; Schomburg, D. & Heinz, D. W.(2005)
  BRAGI: linking and visualization of database information in a 3D viewer and modeling tool.
  Bioinformatics, 21, 1291-1293. pmid
• Schauer, N.; Steinhauser, D.; Strelkov, S.; Schomburg, D.; Allison, G.; Moritz, T.; Lundgren, K.; Roessner-Tunali, U.; Forbes, M. G.; Willmitzer, L.; Fernie, A. R. & Kopka, J.(2005)
  GC-MS libraries for the rapid identification of metabolites in complex biological samples.
  FEBS Lett, 579, 1332-1337. pmid
• Schlieben, N. H.; Niefind, K.; Müller, J.; Riebel, B.; Hummel, W. & Schomburg, D.(2005)
  Atomic resolution structures of R-specific alcohol dehydrogenase from Lactobacillus brevis provide the structural bases of its substrate and cosubstrate specificity.
  J Mol Biol, 349, 801-813. pmid
• Shallom, D.; Leon, M.; Bravman, T.; Ben-David, A.; Zaide, G.; Belakhov, V.; Shoham, G.; Schomburg, D.; Baasov, T. & Shoham, Y.(2005)
  Biochemical characterization and identification of the catalytic residues of a family 43 beta-D-xylosidase from Geobacillus stearothermophilus T-6.
  Biochemistry, 44, 387-397. pmid
• Tropis, M.; Meniche, X.; Wolf, A.; Gebhardt, H.; Strelkov, S.; Chami, M.; Schomburg, D.; Krämer, R.; Morbach, S. & Daffé, M.(2005)
  The crucial role of trehalose and structurally related oligosaccharides in the biosynthesis and transfer of mycolic acids in Corynebacterineae.
  J Biol Chem, 280, 26573-26585. pmid
• Crass, T.; Antes, I.; Basekow, R.; Bork, P.; Buning, C.; Christensen, M.; Claussen, H.; Ebeling, C.; Ernst, P.; Gailus-Durner, V.; Glatting, K.; Gohla, R.; Gössling, F.; Grote, K.; Heidtke, K.; Herrmann, A.; O'Keeffe, S.; Kiesslich, O.; Kolibal, S.; Korbel, J. O.; Lengauer, T.; Liebich, I.; van der Linden, M.; Luz, H.; Meissner, K.; von Mering, C.; Mevissen, H.; Mewes, H.; Michael, H.; Mokrejs, M.; Müller, T.; Pospisil, H.; Rarey, M.; Reich, J. G.; Schneider, R.; Schomburg, D.; Schulze-Kremer, S.; Schwarzer, K.; Sommer, I.; Springstubbe, S.; Suhai, S.; Thoppae, G.; Vingron, M.; Warfsmann, J.; Werner, T.; Wetzler, D.; Wingender, E. & Zimmer, R.(2004)
  The Helmholtz Network for Bioinformatics: an integrative web portal for bioinformatics resources.
  Bioinformatics, 20, 268-270. pmid
• Fleischmann, A.; Darsow, M.; Degtyarenko, K.; Fleischmann, W.; Boyce, S.; Axelsen, K. B.; Bairoch, A.; Schomburg, D.; Tipton, K. F. & Apweiler, R.(2004)
  IntEnz, the integrated relational enzyme database.
  Nucleic Acids Res, 32, D434-D437. pmid
• Heuser, P.; Wohlfahrt, G. & Schomburg, D.(2004)
  Efficient methods for filtering and ranking fragments for the prediction of structurally variable regions in proteins.
  Proteins, 54, 583-595. pmid
• Odenthal, U.; Haehn, S.; Tunggal, P.; Merkl, B.; Schomburg, D.; Frie, C.; Paulsson, M. & Smyth, N.(2004)
  Molecular analysis of laminin N-terminal domains mediating self-interactions.
  J Biol Chem, 279, 44504-44512. pmid
• Reiland, V.; Gilboa, R.; Spungin-Bialik, A.; Schomburg, D.; Shoham, Y.; Blumberg, S. & Shoham, G.(2004)
  Binding of inhibitory aromatic amino acids to Streptomyces griseus aminopeptidase.
  Acta Crystallogr D Biol Crystallogr, 60, 1738-1746. pmid
• Schlieben, N. H.; Niefind, K. & Schomburg, D.(2004)
  Expression, purification, and aggregation studies of His-tagged thermoalkalophilic lipase from Bacillus thermocatenulatus.
  Protein Expr Purif, 34, 103-110. pmid
• Schomburg, I.; Chang, A.; Ebeling, C.; Gremse, M.; Heldt, C.; Huhn, G. & Schomburg, D.(2004)
  BRENDA, the enzyme database: updates and major new developments.
  Nucleic Acids Res, 32, D431-D433. pmid
• Strelkov, S.; von Elstermann, M. & Schomburg, D.(2004)
  Comprehensive analysis of metabolites in Corynebacterium glutamicum by gas chromatography/mass spectrometry.
  Biol Chem, 385, 853-861. pmid
• Beuth, B.; Niefind, K. & Schomburg, D.(2003)
  Crystal structure of creatininase from Pseudomonas putida: a novel fold and a case of convergent evolution.
  J Mol Biol, 332, 287-301. pmid
• Ehrentreich, F. & Schomburg, D.(2003)
  Dynamic generation and qualitative analysis of metabolic pathways by a joint database/graph theoretical approach.
  Funct Integr Genomics, 3, 189-196. pmid
• Hövel, K.; Shallom, D.; Niefind, K.; Baasov, T.; Shoham, G.; Shoham, Y. & Schomburg, D.(2003)
  Crystallization and preliminary X-ray analysis of a family 51 glycoside hydrolase, the alpha-l-arabinofuranosidase from Geobacillus stearothermophilus T-6.
  Acta Crystallogr D Biol Crystallogr, 59, 913-915. pmid
• Hövel, K.; Shallom, D.; Niefind, K.; Belakhov, V.; Shoham, G.; Baasov, T.; Shoham, Y. & Schomburg, D.(2003)
  Crystal structure and snapshots along the reaction pathway of a family 51 alpha-L-arabinofuranosidase.
  EMBO J, 22, 4922-4932. pmid
• Niefind, K.; Müller, J.; Riebel, B.; Hummel, W. & Schomburg, D.(2003)
  The crystal structure of R-specific alcohol dehydrogenase from Lactobacillus brevis suggests the structural basis of its metal dependency.
  J Mol Biol, 327, 317-328. pmid
• Schneider, K.; Hövel, K.; Witzel, K.; Hamberger, B.; Schomburg, D.; Kombrink, E. & Stuible, H.(2003)
  The substrate specificity-determining amino acid code of 4-coumarate:CoA ligase.
  Proc Natl Acad Sci U S A, 100, 8601-8606. pmid
• Abendroth, J.; Niefind, K.; May, O.; Siemann, M.; Syldatk, C. & Schomburg, D.(2002)
  The structure of L-hydantoinase from Arthobacter aurescens leads to an understanding of dihydropyrimidinase substrate and enantio specificity.
  Biochemistry, 41, 8589-8597. pmid
• Abendroth, J.; Niefind, K. & Schomburg, D.(2002)
  X-ray structure of a dihydropyrimidinase from Thermus sp. at 1.3 A resolution.
  J Mol Biol, 320, 143-156. pmid
• Beuth, B.; Niefind, K. & Schomburg, D.(2002)
  Crystallization and preliminary crystallographic analysis of creatininase from Pseudomonas putida.
  Acta Crystallogr D Biol Crystallogr, 58, 1356-1358. pmid
• Cheon, Y.; Kim, H.; Han, K.; Abendroth, J.; Niefind, K.; Schomburg, D.; Wang, J. & Kim, Y.(2002)
  Crystal structure of D-hydantoinase from Bacillus stearothermophilus: insight into the stereochemistry of enantioselectivity.
  Biochemistry, 41, 9410-9417. pmid
• Pipenbacher, P.; Schliep, A.; Schneckener, S.; Schönhuth, A.; Schomburg, D. & Schrader, R.(2002)
  ProClust: improved clustering of protein sequences with an extended graph-based approach.
  Bioinformatics, 18 Suppl 2, S182-S191. pmid
• Schomburg, D. & Vingron, M.(2002)
  Bioinformatics research and education in Germany.
  In Silico Biol, 2, 169-171. pmid
• Schomburg, I.; Chang, A.; Hofmann, O.; Ebeling, C.; Ehrentreich, F. & Schomburg, D.(2002)
  BRENDA: a resource for enzyme data and metabolic information.
  Trends Biochem Sci, 27, 54-56. pmid
• Schomburg, I.; Chang, A. & Schomburg, D.(2002)
  BRENDA, enzyme data and metabolic information.
  Nucleic Acids Res, 30, 47-49. pmid
• Sonsmann, G.; Römer, A. & Schomburg, D.(2002)
  Investigation of the influence of charge derivatization on the fragmentation of multiply protonated peptides.
  J Am Soc Mass Spectrom, 13, 47-58. pmid
• Wohlfahrt, G.; Hangoc, V. & Schomburg, D.(2002)
  Positioning of anchor groups in protein loop prediction: the importance of solvent accessibility and secondary structure elements.
  Proteins, 47, 370-378. pmid
• Bolten, E.; Schliep, A.; Schneckener, S.; Schomburg, D. & Schrader, R.(2001)
  Clustering protein sequences--structure prediction by transitive homology.
  Bioinformatics, 17, 935-941. pmid
• Gilboa, R.; Spungin-Bialik, A.; Wohlfahrt, G.; Schomburg, D.; Blumberg, S. & Shoham, G.(2001)
  Interactions of Streptomyces griseus aminopeptidase with amino acid reaction products and their implications toward a catalytic mechanism.
  Proteins, 44, 490-504. pmid
• Abendroth, J.; Chatterjee, S. & Schomburg, D.(2000)
  Purification of a D-hydantoinase using a laboratory-scale streamline phenyl column as the initial step.
  J Chromatogr B Biomed Sci Appl, 737, 187-194. pmid
• Abendroth, J.; Niefind, K.; Chatterjee, S. & Schomburg, D.(2000)
  Crystallization, preliminary X-ray analysis of a native and selenomethionine D-hydantoinase from Thermus sp.
  Acta Crystallogr D Biol Crystallogr, 56, 1166-1169. pmid
• Chaillot, D.; Declerck, N.; Niefind, K.; Schomburg, D.; Chardot, T. & Meunier, J. C.(2000)
  Mutation of recombinant catalytic subunit alpha of the protein kinase CK2 that affects catalytic efficiency and specificity.
  Protein Eng, 13, 291-298. pmid
• Gilboa, R.; Greenblatt, H. M.; Perach, M.; Spungin-Bialik, A.; Lessel, U.; Wohlfahrt, G.; Schomburg, D.; Blumberg, S. & Shoham, G.(2000)
  Interactions of Streptomyces griseus aminopeptidase with a methionine product analogue: a structural study at 1.53 A resolution.
  Acta Crystallogr D Biol Crystallogr, 56, 551-558. pmid
• Niefind, K.; Riebel, B.; Müller, J.; Hummel, W. & Schomburg, D.(2000)
  Crystallization and preliminary characterization of crystals of R-alcohol dehydrogenase from Lactobacillus brevis.
  Acta Crystallogr D Biol Crystallogr, 56, 1696-1698. pmid
• Sher, I.; Lang, T.; Lubinsky-Mink, S.; Kuhn, J.; Adir, N.; Chatterjee, S.; Schomburg, D. & Ron, D.(2000)
  Identification of residues important both for primary receptor binding and specificity in fibroblast growth factor-7.
  J Biol Chem, 275, 34881-34886. pmid
• Villbrandt, B.; Sobek, H.; Frey, B. & Schomburg, D.(2000)
  Domain exchange: chimeras of Thermus aquaticus DNA polymerase, Escherichia coli DNA polymerase I and Thermotoga neapolitana DNA polymerase.
  Protein Eng, 13, 645-654. pmid
• Witt, S.; Wohlfahrt, G.; Schomburg, D.; Hecht, H. J. & Kalisz, H. M.(2000)
  Conserved arginine-516 of Penicillium amagasakiense glucose oxidase is essential for the efficient binding of beta-D-glucose.
  Biochem J, 347, 553-559. pmid
• Lessel, U. & Schomburg, D.(1999)
  Importance of anchor group positioning in protein loop prediction.
  Proteins, 37, 56-64. pmid
• Niefind, K.; Pütter, M.; Guerra, B.; Issinger, O. G. & Schomburg, D.(1999)
  GTP plus water mimic ATP in the active site of protein kinase CK2.
  Nat Struct Biol, 6, 1100-1103. pmid
• Sher, I.; Weizman, A.; Lubinsky-Mink, S.; Lang, T.; Adir, N.; Schomburg, D. & Ron, D.(1999)
  Mutations uncouple human fibroblast growth factor (FGF)-7 biological activity and receptor binding and support broad specificity in the secondary receptor binding site of FGFs.
  J Biol Chem, 274, 35016-35022. pmid
• Singh, B. B.; Curdt, I.; Jakobs, C.; Schomburg, D.; Bisen, P. S. & Böhme, H.(1999)
  Identification of amino acids responsible for the oxygen sensitivity of ferredoxins from Anabaena variabilis using site-directed mutagenesis.
  Biochim Biophys Acta, 1412, 288-294. pmid
• Weyand, M.; Hecht, H.; Kiess, M.; Liaud, M.; Vilter, H. & Schomburg, D.(1999)
  X-ray structure determination of a vanadium-dependent haloperoxidase from Ascophyllum nodosum at 2.0 A resolution.
  J Mol Biol, 293, 595-611. pmid
• Wohlfahrt, G.; Witt, S.; Hendle, J.; Schomburg, D.; Kalisz, H. M. & Hecht, H. J.(1999)
  1.8 and 1.9 A resolution structures of the Penicillium amagasakiense and Aspergillus niger glucose oxidases as a basis for modelling substrate complexes.
  Acta Crystallogr D Biol Crystallogr, 55, 969-977. pmid
• Guerra, B.; Niefind, K.; Pinna, L. A.; Schomburg, D. & Issinger, O. G.(1998)
  Expression, purification and crystallization of the catalytic subunit of protein kinase CK2 from Zea mays.
  Acta Crystallogr D Biol Crystallogr, 54, 143-145. pmid
• Hülsmeyer, M.; Hecht, H. J.; Niefind, K.; Hofer, B.; Eltis, L. D.; Timmis, K. N. & Schomburg, D.(1998)
  Crystal structure of cis-biphenyl-2,3-dihydrodiol-2,3-dehydrogenase from a PCB degrader at 2.0 A resolution.
  Protein Sci, 7, 1286-1293. pmid
• Meyer, M.; Wohlfahrt, G.; Knäblein, J. & Schomburg, D.(1998)
  Aspects of the mechanism of catalysis of glucose oxidase: a docking, molecular mechanics and quantum chemical study.
  J Comput Aided Mol Des, 12, 425-440. pmid
• Niefind, K.; Guerra, B.; Pinna, L. A.; Issinger, O. G. & Schomburg, D.(1998)
  Crystal structure of the catalytic subunit of protein kinase CK2 from Zea mays at 2.1 A resolution.
  EMBO J, 17, 2451-2462. pmid
• Papir, G.; Spungin-Bialik, A.; Ben-Meir, D.; Fudim, E.; Gilboa, R.; Greenblatt, H. M.; Shoham, G.; Lessel, U.; Schomburg, D.; Ashkenazi, R. & Blumberg, S.(1998)
  Inhibition of Streptomyces griseus aminopeptidase and effects of calcium ions on catalysis and binding--comparisons with the homologous enzyme Aeromonas proteolytica aminopeptidase.
  Eur J Biochem, 258, 313-319. pmid
• Völkel, D.; Blankenfeldt, W. & Schomburg, D.(1998)
  Large-scale production, purification and refolding of the full-length cellular prion protein from Syrian golden hamster in Escherichia coli using the glutathione S-transferase-fusion system.
  Eur J Biochem, 251, 462-471. pmid
• Aumann, K. D.; Bedorf, N.; Brigelius-Flohé, R.; Schomburg, D. & Flohé, L.(1997)
  Glutathione peroxidase revisited--simulation of the catalytic cycle by computer-assisted molecular modelling.
  Biomed Environ Sci, 10, 136-155. pmid
• Dengler, U.; Niefind, K.; Kiess, M. & Schomburg, D.(1997)
  Crystal structure of a ternary complex of D-2-hydroxyisocaproate dehydrogenase from Lactobacillus casei, NAD+ and 2-oxoisocaproate at 1.9 A resolution.
  J Mol Biol, 267, 640-660. pmid
• Domke, T.; Federau, T.; Schlüter, K.; Giehl, K.; Valenta, R.; Schomburg, D. & Jockusch, B. M.(1997)
  Birch pollen profilin: structural organization and interaction with poly-(L-proline) peptides as revealed by NMR.
  FEBS Lett, 411, 291-295. pmid
• Feil, I. K.; Hendle, J. & Schomburg, D.(1997)
  Modified substrate specificity of L-hydroxyisocaproate dehydrogenase derived from structure-based protein engineering.
  Protein Eng, 10, 255-262. pmid
• Gronwald, W.; Schomburg, D.; Tegge, W. & Wray, V.(1997)
  Assessment by 1H NMR spectroscopy of the structural behaviour of human parathyroid-hormone-related protein(1-34) and its close relationship with the N-terminal fragments of human parathyroid hormone in solution.
  Biol Chem, 378, 1501-1508. pmid
• Lessel, U. & Schomburg, D.(1997)
  Creation and characterization of a new, non-redundant fragment data bank.
  Protein Eng, 10, 659-664. pmid
• Schrag, J. D.; Li, Y.; Cygler, M.; Lang, D.; Burgdorf, T.; Hecht, H. J.; Schmid, R.; Schomburg, D.; Rydel, T. J.; Oliver, J. D.; Strickland, L. C.; Dunaway, C. M.; Larson, S. B.; Day, J. & McPherson, A.(1997)
  The open conformation of a Pseudomonas lipase.
  Structure, 5, 187-202. pmid
• Villbrandt, B.; Sagner, G. & Schomburg, D.(1997)
  Investigations on the thermostability and function of truncated Thermus aquaticus DNA polymerase fragments.
  Protein Eng, 10, 1281-1288. pmid
• Beer, H. D.; Wohlfahrt, G.; McCarthy, J. E.; Schomburg, D. & Schmid, R. D.(1996)
  Analysis of the catalytic mechanism of a fungal lipase using computer-aided design and structural mutants.
  Protein Eng, 9, 507-517. pmid
• Blankenfeldt, W.; Nokihara, K.; Naruse, S.; Lessel, U.; Schomburg, D. & Wray, V.(1996)
  NMR spectroscopic evidence that helodermin, unlike other members of the secretin/VIP family of peptides, is substantially structured in water.
  Biochemistry, 35, 5955-5962. pmid
• Federau, T.; Schubert, U.; Flossdorf, J.; Henklein, P.; Schomburg, D. & Wray, V.(1996)
  Solution structure of the cytoplasmic domain of the human immunodeficiency virus type 1 encoded virus protein U (Vpu).
  Int J Pept Protein Res, 47, 297-310. pmid
• Gronwald, W.; Schomburg, D.; Harder, M. P.; Mayer, H.; Paulsen, J.; Wingender, E. & Wray, V.(1996)
  Structure of recombinant human parathyroid hormone in solution using multidimensional NMR spectroscopy.
  Biol Chem Hoppe Seyler, 377, 175-186. pmid
• Günther, G.; Fechteler, T.; Villmann, C.; Zakaria, H.; Schomburg, D. & Otto, B.(1996)
  Computer-aided modeling of structure stabilizing disulfide bonds in recombinant human interferon-gamma.
  Pharm Acta Helv, 71, 37-44. pmid
• Lang, D.; Hofmann, B.; Haalck, L.; Hecht, H. J.; Spener, F.; Schmid, R. D. & Schomburg, D.(1996)
  Crystal structure of a bacterial lipase from Chromobacterium viscosum ATCC 6918 refined at 1.6 angstroms resolution.
  J Mol Biol, 259, 704-717. pmid
• May, O.; Siemann, M.; Syldatk, C.; Niefind, C. & Schomburg, D.(1996)
  Crystallization and preliminary X-ray analysis of a hydantoinase from Arthrobacter aurescens DSM 3745.
  Acta Crystallogr D Biol Crystallogr, 52, 1209-1210. pmid
• Meyer, M.; Wilson, P. & Schomburg, D.(1996)
  Hydrogen bonding and molecular surface shape complementarity as a basis for protein docking.
  J Mol Biol, 264, 199-210. pmid
• Schuchhardt, J.; Schneider, G.; Reichelt, J.; Schomburg, D. & Wrede, P.(1996)
  Local structural motifs of protein backbones are classified by self-organizing neural networks.
  Protein Eng, 9, 833-842. pmid
• Waschütza, G.; Li, V.; Schäfer, T.; Schomburg, D.; Villmann, C.; Zakaria, H. & Otto, B.(1996)
  Engineered disulfide bonds in recombinant human interferon-gamma: the impact of the N-terminal helix A and the AB-loop on protein stability.
  Protein Eng, 9, 905-912. pmid
• Weyand, M.; Hecht, H. J.; Vilter, H. & Schomburg, D.(1996)
  Crystallization and preliminary X-ray analysis of a vanadium-dependent peroxidase from Ascophyllum nodosum.
  Acta Crystallogr D Biol Crystallogr, 52, 864-865. pmid
• Ackermann, F.; Herrmann, G.; Kummert, F.; Posch, S.; Sagerer, G. & Schomburg, D.(1995)
  Protein docking combining symbolic descriptions of molecular surfaces and grid-based scoring functions.
  Proc Int Conf Intell Syst Mol Biol, 3, 3-11. pmid
• Aehle, W.; Sobek, H. & Schomburg, D.(1995)
  Evaluation of protein 3-D structure prediction: comparison of modelled and X-ray structure of an alkaline serine protease.
  J Biotechnol, 41, 211-219. pmid
• Alvarez-Icaza, M.; Kalisz, H. M.; Hecht, H. J.; Aumann, K. D.; Schomburg, D. & Schmid, R. D.(1995)
  The design of enzyme sensors based on the enzyme structure.
  Biosens Bioelectron, 10, 735-742. pmid
• Fechteler, T.; Dengler, U. & Schomburg, D.(1995)
  Prediction of protein three-dimensional structures in insertion and deletion regions: a procedure for searching data bases of representative protein fragments using geometric scoring criteria.
  J Mol Biol, 253, 114-131. pmid
• Niefind, K.; Hecht, H. J. & Schomburg, D.(1995)
  Crystal structure of L-2-hydroxyisocaproate dehydrogenase from Lactobacillus confusus at 2.2 A resolution. An example of strong asymmetry between subunits.
  J Mol Biol, 251, 256-281. pmid
• Pfeiffer, M.; Klein, A.; Steinert, P. & Schomburg, D.(1995)
  An all sulfur analogue of the smallest subunit of F420-non-reducing hydrogenase from Methanococcus voltae--metal binding and structure.
  Biofactors, 5, 157-168. pmid
• Rüdiger, A.; Rüdiger, M.; Weber, K. & Schomburg, D.(1995)
  Characterization of post-translational modifications of brain tubulin by matrix-assisted laser desorption/ionization mass spectrometry: direct one-step analysis of a limited subtilisin digest.
  Anal Biochem, 224, 532-537. pmid
• Schomburg, D.(1995)
  A broad perspective on protein engineering and complementary technologies.
  Trends Biotechnol, 13, 45-47. pmid
• Szardenings, M.; Vasel, B.; Hecht, H. J.; Collins, J. & Schomburg, D.(1995)
  Highly effective protease inhibitors from variants of human pancreatic secretory trypsin inhibitor (hPSTI): an assessment of 3-D structure-based protein design.
  Protein Eng, 8, 45-52. pmid
• Ursini, F.; Maiorino, M.; Brigelius-Flohé, R.; Aumann, K. D.; Roveri, A.; Schomburg, D. & Flohé, L.(1995)
  Diversity of glutathione peroxidases.
  Methods Enzymol, 252, 38-53. pmid
• Wray, V.; Federau, T.; Henklein, P.; Klabunde, S.; Kunert, O.; Schomburg, D. & Schubert, U.(1995)
  Solution structure of the hydrophilic region of HIV-1 encoded virus protein U (Vpu) by CD and 1H NMR spectroscopy.
  Int J Pept Protein Res, 45, 35-43. pmid
• Feil, I. K.; Lerch, H. P. & Schomburg, D.(1994)
  Deletion variants of L-hydroxyisocaproate dehydrogenase. Probing substrate specificity.
  Eur J Biochem, 223, 857-863. pmid
• Lang, D.; Haalck, L.; Hofmann, B.; Hecht, H. J.; Spener, F.; Schmid, R. D. & Schomburg, D.(1994)
  Crystallization and preliminary X-ray analysis of a lipase from Chromobacterium viscosum.
  Acta Crystallogr D Biol Crystallogr, 50, 225-227. pmid
• Lessel, U. & Schomburg, D.(1994)
  Similarities between protein 3-D structures.
  Protein Eng, 7, 1175-1187. pmid
• Niefind, K.; Hecht, H. J. & Schomburg, D.(1994)
  Crystallization and preliminary characterization of crystals of D-2-hydroxyisocaproate dehydrogenase from Lactobacillus casei.
  J Mol Biol, 240, 400-402. pmid
• Wray, V.; Federau, T.; Gronwald, W.; Mayer, H.; Schomburg, D.; Tegge, W. & Wingender, E.(1994)
  The structure of human parathyroid hormone from a study of fragments in solution using 1H NMR spectroscopy and its biological implications.
  Biochemistry, 33, 1684-1693. pmid
• Aehle, W.; Sobek, H.; Amory, A.; Vetter, R.; Wilke, D. & Schomburg, D.(1993)
  Rational protein engineering and industrial application: structure prediction by homology and rational design of protein-variants with improved 'washing performance'--the alkaline protease from Bacillus alcalophilus.
  J Biotechnol, 28, 31-40. pmid
• Erdmann, H.; Hecht, H. J.; Park, H. J.; Sprinzl, M.; Schomburg, D. & Schmid, R. D.(1993)
  Crystallization and preliminary X-ray diffraction studies of a NADH oxidase from Thermus thermophilus HB8.
  J Mol Biol, 230, 1086-1088. pmid
• Hecht, H. J.; Kalisz, H. M.; Hendle, J.; Schmid, R. D. & Schomburg, D.(1993)
  Crystal structure of glucose oxidase from Aspergillus niger refined at 2.3 A resolution.
  J Mol Biol, 229, 153-172. pmid
• Hecht, H. J.; Schomburg, D.; Kalisz, H. & Schmid, R. D.(1993)
  The 3D structure of glucose oxidase from Aspergillus niger. Implications for the use of GOD as a biosensor enzyme.
  Biosens Bioelectron, 8, 197-203. pmid
• Hendle, J.; Bückmann, A. F.; Aehle, W.; Schomburg, D. & Schmid, R. D.(1993)
  Structure/activity relationship of adenine-modified NAD derivatives with respect to porcine heart lactate dehydrogenase isozyme H4 simulated with molecular mechanics.
  Eur J Biochem, 213, 947-956. pmid
• Henklein, P.; Schubert, U.; Kunert, O.; Klabunde, S.; Wray, V.; Klöppel, K. D.; Kiess, M.; Portsmann, T. & Schomburg, D.(1993)
  Synthesis and characterization of the hydrophilic C-terminal domain of the human immunodeficiency virus type 1-encoded virus protein U (Vpu).
  Pept Res, 6, 79-87. pmid
• Klaus, W. & Schomburg, D.(1993)
  Solution structure of a variant of human pancreatic secretory trypsin inhibitor determined by nuclear magnetic resonance spectroscopy.
  J Mol Biol, 229, 695-706. pmid
• Recktenwald, A.; Schomburg, D. & Schmid, R. D.(1993)
  Protein engineering and design. Method and the industrial relevance.
  J Biotechnol, 28, 1-23. pmid
• Recktenwald, A.; Schomburg, D.; Schmid, R. D.; Ballard, P.; Carey, P. R.; Clark, B. F.; Fromageot, P.; Hubbard, T.; Ikehara, M. & Iokibe, R.(1993)
  First protein engineering centres meeting at CAPE/GBF on May 22-24, 1991. Foundation of INPEC (International Network of Protein Engineering Centres).
  J Biotechnol, 28, 137-163. pmid
• Schmid, R. D. & Schomburg, D.(1993)
  Customized enzymes and antibodies for biochemical analysis.
  Am Biotechnol Lab, 11, 30. pmid
• Vasel, B.; Hecht, H. J.; Schmid, R. D. & Schomburg, D.(1993)
  3D-structures of the lipase from Rhizomucor miehei at different temperatures and computer modelling of a complex of the lipase with trilaurylglycerol.
  J Biotechnol, 28, 99-115. pmid
• Hecht, H. J.; Szardenings, M.; Collins, J. & Schomburg, D.(1992)
  Three-dimensional structure of a recombinant variant of human pancreatic secretory trypsin inhibitor (Kazal type).
  J Mol Biol, 225, 1095-1103. pmid
• Hendle, J.; Hecht, H. J.; Kalisz, H. M.; Schmid, R. D. & Schomburg, D.(1992)
  Crystallization and preliminary X-ray diffraction studies of a deglycosylated glucose oxidase from Penicillium amagasakiense.
  J Mol Biol, 223, 1167-1169. pmid
• Miczka, G.; Vernau, J.; Kula, M. R.; Hofmann, B. & Schomburg, D.(1992)
  Purification and primary structure of pyruvate decarboxylase from Zymomonas mobilis.
  Biotechnol Appl Biochem, 15, 192-206. pmid
• Sobek, H.; Hecht, H. J.; Aehle, W. & Schomburg, D.(1992)
  X-ray structure determination and comparison of two crystal forms of a variant (Asn115Arg) of the alkaline protease from Bacillus alcalophilus refined at 1.85 A resolution.
  J Mol Biol, 228, 108-117. pmid
• Hecht, H. J.; Szardenings, M.; Collins, J. & Schomburg, D.(1991)
  Three-dimensional structure of the complexes between bovine chymotrypsinogen A and two recombinant variants of human pancreatic secretory trypsin inhibitor (Kazal-type).
  J Mol Biol, 220, 711-722. pmid
• Kalisz, H. M.; Hecht, H. J.; Schomburg, D. & Schmid, R. D.(1991)
  Effects of carbohydrate depletion on the structure, stability and activity of glucose oxidase from Aspergillus niger.
  Biochim Biophys Acta, 1080, 138-142. pmid
• Klaus, W.; Dieckmann, T.; Wray, V.; Schomburg, D.; Wingender, E. & Mayer, H.(1991)
  Investigation of the solution structure of the human parathyroid hormone fragment (1-34) by 1H NMR spectroscopy, distance geometry, and molecular dynamics calculations.
  Biochemistry, 30, 6936-6942. pmid
• Kordel, M.; Hofmann, B.; Schomburg, D. & Schmid, R. D.(1991)
  Extracellular lipase of Pseudomonas sp. strain ATCC 21808: purification, characterization, crystallization, and preliminary X-ray diffraction data.
  J Bacteriol, 173, 4836-4841. pmid
• Niefind, K. & Schomburg, D.(1991)
  Amino acid similarity coefficients for protein modeling and sequence alignment derived from main-chain folding angles.
  J Mol Biol, 219, 481-497. pmid
• Sobek, H.; Haag, T.; Pfeifer, O.; Schomburg, D.; Lingens, F. & van Pée, K. H.(1991)
  Crystallization and preliminary X-ray data of bromoperoxidase from Streptomyces aureofaciens ATCC 10762.
  J Mol Biol, 221, 35-37. pmid
• Collins, J.; Szardenings, M.; Maywald, F.; Blöcker, H.; Frank, R.; Hecht, H. J.; Vasel, B.; Schomburg, D.; Fink, E. & Fritz, H.(1990)
  Human leukocyte elastase inhibitors: designed variants of human pancreatic secretory trypsin inhibitor (hPSTI).
  Biol Chem Hoppe Seyler, 371 Suppl, 29-36. pmid
• Kalisz, H. M.; Hecht, H. J.; Schomburg, D. & Schmid, R. D.(1990)
  Crystallization and preliminary X-ray diffraction studies of a deglycosylated glucose oxidase from Aspergillus niger.
  J Mol Biol, 213, 207-209. pmid
• Sobek, H.; Hecht, H. J.; Hofmann, B.; Aehle, W. & Schomburg, D.(1990)
  Crystal structure of an alkaline protease from Bacillus alcalophilus at 2.4 A resolution.
  FEBS Lett, 274, 57-60. pmid
• Pliura, D. H.; Schomburg, D.; Richard, J. P.; Frey, P. A. & Knowles, J. R.(1980)
  Stereochemical course of a phosphokinase using a chiral [18O]phosphorothioate. Comparison with the transfer of a chiral [16O,17O,18O]phosphoryl group.
  Biochemistry, 19, 325-329. pmid