MX 14.2

MX_BEAMLINE_14.2

Publications

2023

Grabicki, Niklas Jan: Curved Carbon Materials. , HU Berlin, 2023

Burmeister, David: Exploring graphitic carbon nitrides for (opto)electronic applications. , HU Berlin , 2023

Abylgazina, Leila: Stimuli-induced structural switchability in the pillared-layer metal-organic framework DUT-8. , TU Dresden, 2023

Dimos, Nicole: Structural and biochemical characterization of biotechnologically relevant enzymes. , FU Berlin, 2023

Felsner, Bodo: Synthese von DUT-13 und isoretikulären MOFs und Untersuchung ihrer adsorptionsinduzierten Flexibilität. , TU Dresden, 2023

Khilji, Sana Khan: The development of antibodies against tumour-associated carbohydrate antigens. , FU Berlin, 2023

Fanfrlík, J.; Brynda, J.; Kugler, M.; Lepsik, M.; Pospísilová, K.; Holub, J.; Hnyk, D.; Nekvinda, J.; Grüner, B.; Rezácová, P.: B–H⋯π and C–H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. , Physical Chemistry Chemical Physics 25 (2023), p. 1728-1733
doi: 10.1039/d2cp04673c

Kascakova, B.; Kotal, J.; Havlickova, P.; Vopatkova, V.; Prudnikova, T.; Grinkevich, P.; Kuty, M.; Chmelar, J.; Kuta Smatanova, I.: Conformational transition of the Ixodes ricinus salivary serpin Iripin-4. , Acta Crystallographica Section D - Structural biology 79 (2023), p. 409-419
doi: 10.1107/s2059798323002322

Magoch, M.; McEwen, A.G.; Napolitano, V.; Wladyka, B.; Dubin, G.: Crystal Structure of Staphopain C from Staphylococcus aureus. , Molecules (Basel) 28 (2023), p. 4407/1-10
doi: 10.3390/molecules28114407

Eisenreichova, A.; Klima, M.; Anila, M.M.; Koukalova, A.; Humpolickova, J.; Rozycki, B.; Boura, E.: Crystal Structure of the ORP8 Lipid Transport ORD Domain: Model of Lipid Transport. , Cells 12 (2023), p. 1974/1-13
doi: 10.3390/cells12151974

Werten, S.; Waack, P.; Palm, G.J.; Virolle, M.J.; Hinrichs, W.: Crystal structures of free and ligand-bound forms of the TetR/AcrR-like regulator SCO3201 from Streptomyces coelicolor suggest a novel allosteric mechanism. , FEBS Journal 290 (2023), p. 521-532
doi: 10.1111/febs.16606

Kremling, V.; Loll, B.; Pach, S.; Dahmani, I.; Weise, C.; Wolber, G.; Chiantia, S.; Wahl, M.C.; Osterrieder, N.; Azab, W.: Crystal structures of glycoprotein D of equine alphaherpesviruses reveal potential binding sites to the entry receptor MHC-I. , Frontiers in Microbiology 14 (2023), p. 1197120/1-16
doi: 10.3389/fmicb.2023.1197120

Gardonyi, M.; Hasewinkel, C.; Wallbaum, J.; Wollenhaupt, J.; Weiss, M.S.; Klebe, G.; Reuter, K.; Heine, A.: Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC. , ACS Omega 8 (2023), p. 46051-46065
doi: 10.1021/acsomega.3c07058

Purder, P.L.; Meyners, C.; Sugiarto, W.O.; Kolos, J.; Lohr, F.; Gebel, J.; Nehls, T.; Dotsch, V.; Lermyte, F.; Hausch, F.: Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. , JACS Au : an open access journal of the American Chemical Society 3 (2023), p. 2478-2486
doi: 10.1021/jacsau.3c00241

Geiger, T.M.; Walz, M.; Meyners, C.; Kuehn, A.; Dreizler, J.K.; Sugiarto, W.O.; Maciel, E.; Zheng, M.; Lermyte, F.; Hausch, F.: Discovery of a Potent PROTAC Enables Targeting of FKBP51's Scaffolding Functions. , Angewandte Chemie - International Edition 63 (2023), p. e202309706/1-7
doi: 10.1002/anie.202309706

Schnepel, C.; Moritzer, A.C.; Gafe, S.; Montua, N.; Minges, H.; Niess, A.; Niemann, H.H.; Sewald, N.: Enzymatic Late-Stage Halogenation of Peptides. , ChemBioChem 24 (2023), p. e202200569/1-9
doi: 10.1002/cbic.202200569

Saathoff, M.; Kosol, S.; Semmler, T.; Tedin, K.; Dimos, N.; Kupke, J.; Seidel, M.; Ghazisaeedi, F.; Jonske, M.C.; Wolf, S.A.; Kuropka, B.; Czyszczon, W.; Ghilarov, D.; Gratz, S.; Heddle, J.G.; Loll, B.; Sussmuth, R.D.; Fulde, M.: Gene amplifications cause high-level resistance against albicidin in gram-negative bacteria. , PLoS Biology 21 (2023), p. e3002186/1-18
doi: 10.1371/journal.pbio.3002186

Kugler, M.; Hadzima, M.; Dzijak, R.; Rampmaier, R.; Srb, P.; Vrzal, L.; Voburka, Z.; Majer, P.; Rezacova, P.; Vrabel, M.: Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. , RSC Medicinal Chemistry 14 (2023), p. 144-153
doi: 10.1039/d2md00330a

Chlastakova, A.; Kascakova, B.; Kotal, J.; Langhansova, H.; Kotsyfakis, M.; Kuta Smatanova, I.; Tirloni, L.; Chmelar, J.: Iripin-1, a new anti-inflammatory tick serpin, inhibits leukocyte recruitment in vivo while altering the levels of chemokines and adhesion molecules. , Frontiers in Immunology 14 (2023), p. 1116324/1-16
doi: 10.3389/fimmu.2023.1116324

Barwiolek, M.; Jankowska, D.; Kaczmarek-Kedziera, A.; Lakomska, I.; Kobylarczyk, J.; Podgajny, R.; Popielarski, P.; Masternak, J.; Witwicki, M.; Muziol, T.M.: New Dinuclear Macrocyclic Copper(II) Complexes as Potentially Fluorescent and Magnetic Materials. , International Journal of Molecular Sciences 24 (2023), p. 3017/1-24
doi: 10.3390/ijms24033017

Tröster, A.; DiPrima, M.; Jores, N.; Kudlinzki, D.; Sreeramulu, S.; Grande, S.L.; Linhard, V.; Ludig, D.; Schug, A.; Saxena, K.; Reinecke, M.; Heinzlmeir, S.; Leisegang, M.S.; Wollenhaupt, J.; Lennartz, F.; Weiss, M.S.; Kuster, B.; Tosato, G.; Schwalbe, H.: Optimization of the Lead Compound NVP-BHG712 as Colorectal Cancer Inhibitor. , Chemistry - A European Journal 29 (2023), p. e202203967/1-11
doi: 10.1002/chem.202203967

Löffler, Jan Gerrit: Protein vibrational energy transfer: new sensors and application in an enzyme active site. , Uni Frankfurt, 2023

Sun, S.; Fushimi, M.; Rossetti, T.; Kaur, N.; Ferreira, J.; Miller, M.; Quast, J.; van den Heuvel, J.; Steegborn, C.; Levin, L.R.; Buck, J.; Myers, R.W.; Kargman, S.; Liverton, N.; Meinke, P.T.; Huggins, D.J.: Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation. , Journal of Chemical Information and Modeling 63 (2023), p. 2828-2841
doi: 10.1021/acs.jcim.2c01577

Job, L.; Kohler, A.; Eichinger, A.; Testanera, M.; Escher, B.; Worek, F.; Skerra, A.: Structural and Functional Analysis of a Highly Active Designed Phosphotriesterase for the Detoxification of Organophosphate Nerve Agents Reveals an Unpredicted Conformation of the Active Site Loop. , Biochemistry 62 (2023), p. 942-955
doi: 10.1021/acs.biochem.2c00666

Talaj, J.A.; Zielinski, K.; Bujacz, A.: Structural Investigation of Diclofenac Binding to Ovine, Caprine, and Leporine Serum Albumins. , International Journal of Molecular Sciences 24 (2023), p. 1534/1-14
doi: 10.3390/ijms24021534

Haldar, S.; Bhauriyal, P.; Ramuglia, A.R.; Khan, A.H.; De Kock, S.; Hazra, A.; Bon, V.; Pastoetter, D.L.; Kirchhoff, S.; Shupletsov, L.; De, A.; Isaacs, M.A.; Feng, X.; Walter, M.; Brunner, E.; Weidinger, I.M.; Heine, T.; Schneemann, A.; Kaskel, S.: Sulfide-Bridged Covalent Quinoxaline Frameworks for Lithium-Organosulfide Batteries. , Advanced Materials 35 (2023), p. 2210151/1-14
doi: 10.1002/adma.202210151

Kunert, S.; Linhard, V.; Weirich, S.; Choudalakis, M.; Osswald, F.; Krämer, L.; Köhler, A.R.; Bröhm, A.; Wollenhaupt, J.; Schwalbe, H; Jeltsch, A: The MECP2-TRD domain interacts with the DNMT3A-ADD domain at the H3-tail binding site. , Protein Science 32 (2023), p. e4542/1-14
doi: 10.1002/pro.4542

Hao, Y.; Velkos, G.; Schiemenz, S.; Rosenkranz, M.; Wang, Y.; Büchner, B.; Avdoshenko, S.M.; Popov, A.A.; Liu, F.: Using internal strain and mass to modulate Dy⋯Dy coupling and relaxation of magnetization in heterobimetallic metallofullerenes DyM2N@C80 and Dy2MN@C80 (M = Sc, Y, La, Lu). , Inorganic Chemistry Frontiers 10 (2023), p. 468-484
doi: 10.1039/d2qi02224a

2022

Kordes, S.; Romero-Romero, S.; Lutz, L.; Höcker, B.: A newly introduced salt bridge cluster improves structural and biophysical properties of de novo TIM barrels. , Protein Science 31 (2022), p. 513-527
doi: 10.1002/pro.4249

Marjault, H.B.; Karmi, O.; Zuo, K.; Michaeli, D.; Eisenberg-Domovich, Y.; Rossetti, G.; de Chassey, B.; Vonderscher, J.; Cabantchik, I.; Carloni, P.; Mittler, R.; Livnah, O.; Meldrum, E.; Nechushtai, R.: An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters. , Communications Biology 5 (2022), p. 437/1-9
doi: 10.1038/s42003-022-03393-x

Wu, F.; Ma, J.; Lombardi, F.; Fu, Y.; Liu, F; Huang, Z.; Liu, R.; Komber, H.; Alexandropoulos, D.I.; Dmitrieva, E.; Lohr, T.G.; Israel, N.; Popov, A.A.; Liu, J.; Bogani, L.; Feng, X.: Benzo-Extended Cyclohepta[def]fluorene Derivatives with Very Low-Lying Triplet States. , Angewandte Chemie - International Edition 61 (2022), p. e202202170/1-7
doi: 10.1002/anie.202202170

Tsika, A.C.; Gallo, A.; Fourkiotis, N.K.; Argyriou, A.I.; Sreeramulu, S.; Löhr, F.; Rogov, V.V.; Richter, C.; Linard, V.; Gande, S.L.; Altincekic, N.; Krishnatas, R.; Elamri, I.; Schwalbe, H.; Wollenhaupt, J.; Weiss, M.S.; Spyroulias, G.A.: Binding adaptation of GS-441524 diversifies macro domains and downregulate SARS-CoV-2 de-MARylation capacity. , Journal of Molecular Biology : jmb 434 (2022), p. 16772/1-21
doi: 10.1016/j.jmb.2022.167720

Malecki, P.H.; Imiolczyk, B.; Barciszewski, J.; Czyrko-Horczak, J.; Sliwiak, J.; Gawel, M.; Wozniak, K.; Jaskolski, M.; Brzezinski, K.: Biochemical and structural insights into an unusual, alkali-metal-independent S-adenosyl-L-homocysteine hydrolase from Synechocystis sp. PCC 6803. , Acta Crystallographica Section D - Structural biology 78 (2022), p. 865-882
doi: 10.1107/S2059798322005605
Data-doi: 10.18150/JWPKAB
Data-doi: 10.18150/1KE3PW
Data-doi: 10.18150/IRFZHN

Braun, N.J.; Huber, S.; Schmacke, L.C.; Heine, A.; Steinmetzer, T.: Boroleucine-Derived Covalent Inhibitors of the ZIKV Protease. , ChemMedChem 18 (2022), p. e202200336/1-8
doi: 10.1002/cmdc.202200336

Yang, W.; Velkos, G.; Sudarkova, S.; Büchner, B.; Avdoshenko, S.M.; Liu, F.; Popov, A.A.; Chen, N.: Carbon cage isomers and magnetic Dy⋯Dy interactions in Dy2O@C88 and Dy2C2@C88 metallofullerenes. , Inorganic Chemistry Frontiers 9 (2022), p. 5805-5819
doi: 10.1039/d2qi01796b

Cociurovscaia, A.; Bujacz, G.; Pietrzyk-Brzezinska, A.J.: Crystal structure of the Escherichia coli CusS kinase core. , Journal of Structural Biology 214 (2022), p. 107883/1-7
doi: 10.1016/j.jsb.2022.107883

Kasmaei, K.M.; Kalyani, D.C.; Reichenbach, T.; Jimenez-Quero, A.; Vilaplana, F.; Divne, C.: Crystal structure of the feruloyl esterase from Lentilactobacillus buchneri reveals a novel homodimeric state. , Frontiers in Microbiology 13 (2022), p. 1050160/1-13
doi: 10.3389/fmicb.2022.1050160

Sonani, R.R.; Blat, A.; Dubin, G.: Crystal structures of apo- and FAD-bound human peroxisomal acyl-CoA oxidase provide mechanistic basis explaining clinical observations. , International Journal of Biological Macromolecules 205 (2022), p. 203-210
doi: 10.1016/j.ijbiomac.2022.02.008

Rhys, G.G.; Cross, J.A.; Dawson, W.M.; Thompson, H.F.; Shanmugaratnam, S.; Savery, N.J.; Dodding, M.P.; Höcker, B.; Woolfson, D.N.: De novo designed peptides for cellular delivery and subcellular localisation. , Nature Chemical Biology 18 (2022), p. 999–1004
doi: 10.1038/s41589-022-01076-6
Data-doi: 10.5281/zenodo.6519961

Giammarinaro, P.I.; Young, M.K.M.; Steinchen, W.; Mais, C.N.; Hochberg, G.; Yang, J.; Stevenson, D.M.; Amador-Noguez, D.; Paulus, A.; Wang, J.D.; Bange, G.: Diadenosine tetraphosphate regulates biosynthesis of GTP in Bacillus subtilis. , Nature Microbiology 7 (2022), p. 1442-1452
doi: 10.1038/s41564-022-01193-x

Dahms, S.O.; Schnapp, G.; Winter, M.; Buttner, F.H.; Schleputz, M.; Gnamm, C.; Pautsch, A.; Brandstetter, H.: Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism. , ACS Chemical Biology 17 (2022), p. 816-821
doi: 10.1021/acschembio.2c00103

Gilzer, D.; Schreiner, M.; Niemann, H.H.: Direct interaction of a chaperone-bound type III secretion substrate with the export gate. , Nature Communications 13 (2022), p. 2858/1-13
doi: 10.1038/s41467-022-30487-1

Gao, S.; Song, L.; Claff, T.; Woodson, M.; Sylvester, K.; Jing, L.; Weisse, R.H.; Cheng, Y.; Straeter, N.; Schaekel, L.; Guetschow, M.; Ye, B.; Yang, M.; Zhang, T.; Kang, D.; Toth, K.; Tavis, J.; Tollefson, A.E.; Mueller, C.E.; Zhan, P.; Liu, X.: Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors. , Journal of Medicinal Chemistry 65 (2022), p. 16902-16917
doi: 10.1021/acs.jmedchem.2c01716

Gao, S.; Sylvester, K.; Song, L.; Claff, T.; Jing, L.; Woodson, M.; Weisse, R. H.; Cheng, Y.; Schaekel, L.; Petry, M.; Guetschow, M.; Schiedel, A.C.; Straeter, N.; Kang, D.; Xu, S.; Toth, K.; Tavis, J.; Tollefson, A.E.; Mueller, C.E.; Liu, X.; Zhan, P.: Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. , Journal of Medicinal Chemistry 65 (2022), p. 13343-13364
doi: 10.1021/acs.jmedchem.2c01146

Dolot, R.; Maciaszek, A.; Mikolajczyk, B.; Nawrot, B.: First High-Resolution Crystal Structures of DNA:2'-O-Methyl-RNA Heteroduplexes. , Crystals (Basel) 12 (2022), p. 760/1-16
doi: 10.3390/cryst12060760

Leppkes, J.; Dimos, N.; Loll, B.; Hohmann, T.; Dyrks, M.; Wieseke, A.; Keller, B.G.; Koksch, B.: Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin. , RSC Chemical Biology 3 (2022), p. 773-782
doi: 10.1039/d2cb00018k

Fietze, T.; Wilk, P.; Kabinger, F.; Anoosheh, S.; Hofer, A.; Lundin, D.; Feiler, C.G.; Weiss, M.S.; Loderer, C.: HUG Domain Is Responsible for Active Dimer Stabilization in an NrdJd Ribonucleotide Reductase. , Biochemistry 61 (2022), p. 1633-1641
doi: 10.1021/acs.biochem.2c00173

Manikandan, P.; Sandhya, S.; Nadig, K.; Paul, S.; Srinivasan, N.; Rothweiler, U.; Singh, M.: Identification, functional characterization, assembly and structure of ToxIN type III toxin-antitoxin complex from E. coli. , Nucleic Acids Research 50 (2022), p. 1687-1700
doi: 10.1093/nar/gkab1264

Weigert, S.; Perez-Garcia, P.; Gisdon, F.J.; Gagsteiger, A.; Schweinshaut, K.; Ullmann, G.M.; Chow, J.; Streit, W.R.; Höcker, B.: Investigation of the halophilic PET hydrolase PET6 from Vibrio gazogenes. , Protein Science 31 (2022), p. e4500/1-16
doi: 10.1002/pro.4500

Zhang, J.-J.; Ma, J.; Liu, F.; Cui, L.-S.; Fu, Y.; Yang, L.; Popov, A.A.; Weigand, J.J.; Liu, J.; Feng, X.: Large Acene Derivatives with B–N Lewis Pair Doping: Synthesis, Characterization, and Application. , Organic Letters 24 (2022), p. 1877-1882
doi: 10.1021/acs.orglett.2c00033

Huskova, A.; Dinesh, D.C.; Srb, P.; Boura, E.; Veverka, V.; Silhan, J.: Model of abasic site DNA cross-link repair; from the architecture of NEIL3 DNA binding domains to the X-structure model. , Nucleic Acids Research 50 (2022), p. 10436–10448
doi: 10.1093/nar/gkac793

Dang, T.; Loll, B.; Müller, S.; Skobalj, R.; Ebeling, J.; Bulatov, T.; Gensel, S.; Göbel, J.; Wahl, M.C.; Genersch, E.; Mainz, A.; Süssmuth, R.D.: Molecular basis of antibiotic self-resistance in a bee larvae pathogen. , Nature Communications 13 (2022), p. 2349/1-11
doi: 10.1038/s41467-022-29829-w

Lindenblatt, D.; Applegate, V.; Nickelsen, A.; Klußmann, M.; Neundorf, I.; Götz, C.; Jose, J.; Niefind, K.: Molecular Plasticity of Crystalline CK2alpha' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. , Journal of Medicinal Chemistry 65 (2022), p. 1302–1312
doi: 10.1021/acs.jmedchem.1c00063

Loch, J.I.; Barciszewski, J.; Sliwiak, J.; Bonarek, P.; Wrobel, P.; Pokrywka, K.; Shabalin, I.G.; Minor, W.; Jaskolski, M.; Lewinski, K.: New ligand-binding sites identified in the crystal structures of beta-lactoglobulin complexes with desipramine. , IUCrJ 9 (2022), p. 386-398
doi: 10.1107/S2052252522004183

Graf, L.; Liu, F.; Naumann, M.; Büchner, B.; Krupskaya, Y.; Popov, A.A.; Knupfer, M.: Optical Anisotropy and Momentum-Dependent Excitons in Dibenzopentacene Single Crystals. , ACS Omega 7 (2022), p. 21183-21191
doi: 10.1021/acsomega.2c01987

Haldar, S.; Wang, M.; Bhauriyal, P.; Hazra, A.; Khan, A.H.; Bon, V.; Isaacs, M.A.; De, A.; Shupletsov, L.; Boenke, T.; Grothe, J.; Heine, T.; Brunner, E.; Feng, X.; Dong, R.; Schneemann, A.; Kaskel, S.: Porous Dithiine-Linked Covalent Organic Framework as a Dynamic Platform for Covalent Polysulfide Anchoring in Lithium-Sulfur Battery Cathodes. , Journal of the American Chemical Society 144 (2022), p. 9101-9112
doi: 10.1021/jacs.2c02346

Dietler, J.; Gelfert, R.; Kaiser, J.; Borin, V.; Renzl, C.; Pilsl, S.; Ranzani, A.T.; Garcia de Fuentes, A.; Gleichmann, T.; Diensthuber, R.P.; Weyand, M.; Mayer, G.; Schapiro, I.; Möglich, A.: Signal transduction in light-oxygen-voltage receptors lacking the active-site glutamine. , Nature Communications 13 (2022), p. 2618/1-16
doi: 10.1038/s41467-022-30252-4
Data-doi: 10.5281/zenodo.6341885

Burmeister, D.; Müller, J.; Plaickner, J.; Kochovski, Z.; List-Kratochvil, E.J.W.; Bojdys, M.: Size Effects of the Anions in the Ionothermal Synthesis of Carbon Nitride Materials. , Chemistry - A European Journal 28 (2022), p. e202200705/1-8
doi: 10.1002/chem.202200705

Muziol, T.M.; Tereba, N.; Podgajny, R.; Pelka, R.; Czernia, D.; Wisniewski, M.; Koter, S.; Wrzeszcz, G.: Sorption and Magnetic Properties of Oxalato-Based Trimetallic Open Framework Stabilized by Charge-Assisted Hydrogen Bonds. , International Journal of Molecular Sciences 23 (2022), p. 1556/1-22
doi: 10.3390/ijms23031556

Nagel, F.; Palm, G.J.; Geist, N.; McDonnell, T.C.R.; Susemihl, A.; Girbardt, B.; Mayerle, J.; Lerch, M.M.; Lammers, M.; Delcea, M.: Structural and Biophysical Insights into SPINK1 Bound to Human Cationic Trypsin. , International Journal of Molecular Sciences 23 (2022), p. 3468/1-14
doi: 10.3390/ijms23073468

Barwiolek, M.; Jankowska, D.; Kaczmarek-Kedziera, A.; Muziol, T.M.: Structural and optical properties of the p-alkylated 2,6-bis(benzimidazol)phenoles obtained from o-phenylenediamine and their sensitive behavior towards zinc(II) ions. , Polyhedron 224 (2022), p. 116004/1-15
doi: 10.1016/j.poly.2022.116004

Wang, Jianhui: Structural Basis of Gene Regulation by the Transcription Factors Tfcp2l1 and Tfcp2. , FU Berlin, 2022

Nagel, F.; Susemihl, A.; Geist, N.; Moehlis, K.; Palm, G.J.; Lammers, M.; Delcea, M.: Structural Basis of the Pancreatitis-Associated Autoproteolytic Failsafe Mechanism in Human Anionic Trypsin. , Journal of Inflammation Research 15 (2022), p. 3633-3642
doi: 10.2147/JIR.S367699

Bock-Bierbaum, T.; Funck, K.; Wollweber, F.; Lisicki, E.; von der Malsburg, K.; von der Malsburg, A.; Laborenz, J.; Noel, J.K.; Hessenberger, M.; Jungbluth, S.; Bernert, C.; Kunz, S.; Riedel, D.; Lilie, H.; Jakobs, S.; van der Laan, M.; Daumke, O.: Structural insights into crista junction formation by the Mic60-Mic19 complex. , Science Advances 8 (2022), p. eabo4946/1-12
doi: 10.1126/sciadv.abo4946

Kiliszek, A.; Pluta, M.; Bejger, M.; Rypniewski, W.: Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair. , RNA 29 (2022), p. 44-54
doi: 10.1261/rna.079414.122

Scortichini, M.; Idris, R.M.; Moschütz, S.; Keim, A.; Salmaso, V.; Dobelmann, C.; Oliva, P.; Losenkova, K.; Irjala, H.; Vaittinen, S.; Sandholm, J.; Yegutkin, G.G.; Sträter, N.; Junker, A.; Müller, C.E.; Jacobson, K.A.: Structure-Activity Relationship of 3-Methylcytidine-5'-α,β-methylenediphosphates as CD73 Inhibitors. , Journal of Medicinal Chemistry 65 (2022), p. 2409-2433
doi: 10.1021/acs.jmedchem.1c01852

Huber, S.; Braun, N.J.; Schmacke, L.C.; Quek, J.P.; Murra, R.; Bender, D.; Hildt, E.; Luo, D.; Heine, A.; Steinmetzer, T.: Structure-Based Optimization and Characterization of MacrocyclicZika Virus NS2B-NS3 Protease Inhibitors. , Journal of Medicinal Chemistry 65 (2022), p. 6555-6572
doi: 10.1021/acs.jmedchem.1c01860

Pietrzyk-Brzezinska, A.J.; Cociurovscaia, A.: Structures of the TetR-like transcription regulator RcdA alone and in complexes with ligands. , Proteins - Structure, Function and Bioinformatics 90 (2022), p. 33-44
doi: 10.1002/prot.26183

Koval'ova, T.; Koval, T.; Stransky, J.; Kolenko, P.; Duskova, J.; Svecova, L.; Vodickova, P.; Spiwok, V.; Benesova, E.; Lipovova, P.; Dohnalek, J.: The first structure-function study of GH151 alpha-l-fucosidase uncovers new oligomerization pattern, active site complementation, and selective substrate specificity. , FEBS Journal 289 (2022), p. 4675-5030
doi: 10.1111/febs.16387

Knejzlik, Z.; Dolezal, M.; Herkommerova, K.; Clarova, K.; Klima, M.; Dedola, M.; Zbornikova, E.; Rejman, D.; Pichova, I.: The mycobacterial guaB1 gene encodes a guanosine 5'-monophosphate reductase with a cystathionine-beta-synthase domain. , FEBS Journal 289 (2022), p. 5571-5598
doi: 10.1111/febs.16448

Vogt, S.; Feijs, K.; Hosch, S.; De Masi, R.; Lintermann, R.; Loll, B.; Wirthmueller, L.: The superior salinity tolerance of bread wheat cultivar Shanrong No. 3 is unlikely to be caused by elevated Ta-sro1 poly-(ADP-ribose) polymerase activity. , The Plant Cell 34 (2022), p. 4130-4137
doi: 10.1093/plcell/koac261

Smigiel, J.; Muziol, T.; Piszczek, P.; Radtke, A.: Titanium(IV) Oxo-Complex with Acetylsalicylic Acid Ligand and Its Polymer Composites: Synthesis, Structure, Spectroscopic Characterization, and Photocatalytic Activity. , Materials 15 (2022), p. 4408/1-16
doi: 10.3390/ma15134408

Wehrhan, L.; Leppkes, J.; Dimos, N.; Loll, B.; Koksch, B.; Keller, B.G.: Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes - Insights from Simulation and Experiment. , The Journal of Physical Chemistry B 126 (2022), p. 9985-9999
doi: 10.1021/acs.jpcb.2c05496

2021

Pohl, P.; Joshi, R.; Petrvalska, O.; Obsil, T.; Obsilova, V.: 14-3-3-protein regulates Nedd4-2 by modulating interactions between HECT and WW domains. , Communications Biology 4 (2021), p. 899/1-15
doi: 10.1038/s42003-021-02419-0

Kalyani, D.C.; Reichenbach, T.; Aspeborg, H.; Divne, C.: A homodimeric bacterial exo-beta-1,3-glucanase derived from moose rumen microbiome shows a structural framework similar to yeast exo-beta-1,3-glucanases. , Enzyme and Microbial Technology 143 (2021), p. 109723/1-10
doi: 10.1016/j.enzmictec.2020.109723

Dietler, J.; Schubert, R.; Krafft, T.G.A.; Meiler, S.; Kainrath, S.; Richter, F.; Schweimer, K.; Weyand, M.; Janovjak, H.; Möglich, A.: A Light-Oxygen-Voltage Receptor Integrates Light and Temperature. , Journal of Molecular Biology : jmb 433 (2021), p. 167107/1-20
doi: 10.1016/j.jmb.2021.167107

Zhang, J.J.; Yang, L.; Liu, F.; Fu, Y.; Liu, J.; Popov, A.A.; Ma, J.; Feng, X.: A Modular Cascade Synthetic Strategy Toward Structurally Constrained Boron-Doped Polycyclic Aromatic Hydrocarbons. , Angewandte Chemie - International Edition 60 (2021), p. 25695-25700
doi: 10.1002/anie.202109840

Kriegel, M.; Wiederanders, H.J.; Alkhashrom, S.; Eichler, J.; Muller, Y.A.: A PROSS-designed extensively mutated estrogen receptor alpha variant displays enhanced thermal stability while retaining native allosteric regulation and structure. , Scientific Reports 11 (2021), p. 10509/1-13
doi: 10.1038/s41598-021-89785-1

Ambrus, Attila: A szerkezet összefüggése a funkcióval válogatott biológiai rendszerekben = Interrelation between structure and function in selected biological systems. , Semmelweis University, Budapest, University Habilitation Thesis, 2021

Lechner, H.; Emann, V.R.; Breuning, M.; Höcker, B.: An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host. , ChemBioChem 22 (2021), p. 1573-1577
doi: 10.1002/cbic.202000880

Lund, B.A.; Thomassen, A.M.; Carlsen, T.J.W.; Leiros, H.K.S.: Biochemical and biophysical characterization of the OXA-48-like carbapenemase OXA-436. , Acta Crystallographica Section F - Structural Biology Communications 77 (2021), p. 312-318
doi: 10.1107/S2053230X21008645

Dolot, R.; Krakowiak, A.; Kaczmarek, R.; Wlodarczyk, A.; Pichlak, M.; Nawrot, B.: Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. , Biochimica et Biophysica Acta - General Subjects 1865 (2021), p. 129968/1-17
doi: 10.1016/j.bbagen.2021.129968

Weiß, Sandra Kristin: Biochemische und strukturelle Charakterisierung der Regulation von Sirtuinen durch AROS und Kleinmoleküle. , Universität Bayreuth, Diss., 2021

Chai, J.; Chen, X.; Ye, T.; Zeng, B; Zeng, Q.; Wu, J.; Kascakova, B.; Martins, A.L.; Prudnikova, T.; Smatanova, K.; Kotsyfakis, M.; Xu, X.: Characterization and functional analysis of cathelicidin-MH, a novel frog-derived peptide with anti-septicemic properties. , eLife 10 (2021), p. 64411/1-23
doi: 10.7554/eLife.64411
Data-doi: 10.2210/pdb7AL0/pdb

Grüner, B.; Kugler, M.; El Anwar, S.; Holub, J.; Nekvinda, J.; Bavol, D.; Ruzicková, Z.; Pospisilová, K.; Fábry, M.; Král, V.; Brynda, J.; Rezácová, P.: Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. , ChemPlusChem 85 (2021), p. 352-363
doi: 10.1002/cplu.202000574

Grabicki, N.; Nguyen, K.T.D.; Weidner, S.; Dumele, O.: Confined Spaces in [n]Cyclo-2,7-pyrenylenes. , Angewandte Chemie - International Edition 60 (2021), p. 14909-14914
doi: 10.1002/anie.202102809

von Horsten, S.; Essen, L.O.: Conformational Change of Tetratricopeptide Repeats Region Triggers Activation of Phytochrome-Associated Protein Phosphatase 5. , Frontiers in Plant Science 12 (2021), p. 733069/1-15
doi: 10.3389/fpls.2021.733069

Reynders, M.; Chaikuad, A.; Berger, B.T.; Bauer, K.; Koch, P.; Laufer, S.; Knapp, S.; Trauner, D.: Controlling the Covalent Reactivity of a Kinase Inhibitor with Light. , Angewandte Chemie - International Edition 60 (2021), p. 20178-20183
doi: 10.1002/anie.202103767

Svecová, L.; Ostergaard, L.H.; Skalová, T.; Schnorr, K.M.; Koval', T.; Kolenko, P.; Stránský, J.; Sedlák, D.; Dusková, J.; Trundová, M.; Hasek, J.; Dohnálek, J.: Corrigendum: Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 980-981
doi: 10.1107/S2059798321006100

Krupp, Paul Ferdinand: Cryo-EM analysis of three macromolecular machines : RNA polymerase, ribosome, and E3 ubiquitin ligase. , Berlin, Freie Universität Berlin, Diss., 2021

Chaoprasid, P.; Lukat, P.; Muhlen, S.; Heidler, T.; Gazdag, E.M.; Dong, S.; Bi, W.; Ruter, C.; Kirchenwitz, M.; Steffen, A.; Jansch, L.; Stradal, T.E.B.; Dersch, P.; Blankenfeldt, W.: Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication. , The EMBO Journal 40 (2021), p. e105202/1-21
doi: 10.15252/embj.2020105202

Grau, F.C.; Burkovski, A.; Mullera, Y.A.: Crystal structures of adenylylated and unadenylylated P-II protein GlnK from Corynebacterium glutamicum. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 325-335
doi: 10.1107/s2059798321000735

Wosicki, S.; Kazmierczyk, M.; Gilski, M.; Zabranska, H.; Pichova, I.; Jaskolski, M.: Crystal structures of inhibitor complexes of M-PMV protease with visible flap loops. , Protein Science 30 (2021), p. 1258-1263
doi: 10.1002/pro.4072

Svecova, L.; Ostergaard, L.H.; Skalova, T.; Schnorr, K.M.; Koval, T.; Kolenko, P.; Stransky, J.; Sedlak, D.; Duskova, J.; Trundova, M.; Hasek, J.; Dohnalek, J.: Crystallographic fragment screening-based study of a novel FAD-dependent oxidoreductase from Chaetomium thermophilum. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 755-775
doi: 10.1107/s2059798321003533

Schweininger, J.; Scherer, M.; Rothemund, F.; Schilling, E.M.; Wörz, S.; Stamminger, T.; Muller, Y.A.: Cytomegalovirus immediate-early 1 proteins form a structurally distinct protein class with adaptations determining cross-species barriers. , PLoS Pathogens 17 (2021), p. e1009863/1-31
doi: 10.1371/journal.ppat.1009863

Sharif, E.U.; Kalisiak, J.; Lawson, K.V.; Miles, D.H.; Newcomb, E.; Lindsey, E.A.; Rosen, B.R.; Debien, L.P.P.; Chen, A.; Zhao, X.; Young, S.W.; Walker, N.P.; Sträter, N.; Scaletti, E.R.; Jin, L.; Xu, G.; Leleti, M.R.; Powers, J.P.: Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors. , Journal of Medicinal Chemistry 64 (2021), p. 845-860
doi: 10.1021/acs.jmedchem.0c01835

Sonani, R.R.; Kurpiewska, K.; Lewinski, K.; Dubin, G.: Distinct sequence and structural feature of trypanosoma malate dehydrogenase. , Biochemical and Biophysical Research Communications 557 (2021), p. 288-293
doi: 10.1016/j.bbrc.2021.04.033

Takenaka, M.; Takenaka, S.; Barthel, T.; Frink, B.; Haag, S.; Verbitskiy, D.; Oldenkott, B.; Schallenberg-Rüdinger, M.; Feiler, C.G.; Weiss, M.S.; Palm, G.J.; Weber, G.: DYW domain structures imply an unusual regulation principle in plant organellar RNA editing catalysis. , Nature Catalysis 4 (2021), p. 510-522
doi: 10.1038/s41929-021-00633-x

Kuzniak-Glanowska, E.; Konieczny, P.; Pelka, R.; Muziol, T.M.; Koziel, M.; Podgajny, R.: Engineering of the XY Magnetic Layered System with Adeninium Cations: Monocrystalline Angle-Resolved Studies of Nonlinear Magnetic Susceptibility. , Inorganic Chemistry 60 (2021), p. 10186-10198
doi: 10.1021/acs.inorgchem.1c00432

Kröger, P.; Shanmugaratnam, S.; Scheib, U.; Höcker, B.: Fine-tuning spermidine binding modes in the putrescine binding protein PotF. , Journal of Biological Chemistry 297 (2021), p. 101419/1-12
doi: 10.1016/j.jbc.2021.101419

Oebbeke, M.; Siefker, C.; Wagner, B.; Heine, A.; Klebe, G.: Fragment Binding to Kinase Hinge: If Charge Distribution and Local pKa Shifts Mislead Popular Bioisosterism Concepts. , Angewandte Chemie - International Edition 60 (2021), p. 252-258
doi: 10.1002/anie.202011295

Oebbeke, Matthias: Fragment-basierte Leitstruktursuche am Beispiel der Proteinkinase A. , Uni Marburg, 2021

Fujdiarová, E.; Houser, J.; Dobes, P.; Paulíková, G.; Kondakov, N.; Kononov, L.; Hyrsl, P.; Wimmerová, M.: Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O methylated sugars and influence the host immune system. , FEBS Journal 288 (2021), p. 1343-1365
doi: 10.1111/febs.15457

Sandner, A.; Ngo, K.; Schiebel, J.; Pizarroso, A.I.M.; Schmidt, L.; Wenzel, B.; Steinmetzer, T.; Ostermann, A.; Heine, A.; Klebe, G.: How a Fragment Draws Attention to Selectivity Discriminating Features between the Related Proteases Trypsin and Thrombin. , Journal of Medicinal Chemistry 64 (2021), p. 1611-1625
doi: 10.1021/acs.jmedchem.0c01809

Smola, M.; Gutten, O.; Dejmek, M.; Kozisek, M.; Evangelidis, T.; Tehrani, Z.A.; Novotna, B.; Nencka, R.; Birkus, G.; Rulisek, L.; Boura, E.: Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein. , Angewandte Chemie - International Edition 60 (2021), p. 10172-10178
doi: 10.1002/anie.202016805

Bönisch, N.; Maliuta, M.; Senkovska, I.; Bon, V.; Petkov, P.; Plätzer, C.; Müller, P.; Kaskel, S.: Linker Expansion and Its Impact on Switchability in Pillared-Layer MOFs. , Inorganic Chemistry 60 (2021), p. 1726-1737
doi: 10.1021/acs.inorgchem.0c03218

Kreibich, Julian: Mechanistic insights into carbon monoxide and CoA binding at the Ni,Ni-[4Fe-4S] active site of the acetyl-CoA synthase from Carboxydothermus hydrogenoformans. , Berlin, Humboldt Universität, Diss., 2021

Schilz, J.; Binder, U.; Friedrich, L.; Gebauer, M.; Lutz, C.; Schlapschy, M.; Schiefner, A.; Skerra, A.: Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope. , Journal of Molecular Biology : jmb 433 (2021), p. 167113/1-18
doi: 10.1016/j.jmb.2021.167113

Badran, Mohammed: Mutational Studies on 17β-HSD14, Serial Synchrotron X-ray Crystallography, Solubility Enhancement using Cyclodextrins and Fragment-Based Drug Discovery Multiple Blocks to Pave the Road of Drug Design. , Dissertation, Marburg, Philipps-Universität Marburg, 2021

Barwiolek, M.; Jankowska, D.; Chorobinski, M.; Kaczmarek-Kedziera, A.; Lakomska, I.; Wojtulewski, S.; Muziol, T.M.: New dinuclear zinc(ii) complexes with Schiff bases obtained from o-phenylenediamine and their application as fluorescent materials in spin coating deposition. , RSC Advances 11 (2021), p. 24515-24525
doi: 10.1039/d1ra03096e

Schweininger, Johannes: Of rats and men : Structural and biophysical characterization of the immediate-early 1 proteins from rat and human cytomegalovirus. , Erlangen, Nürnberg, Friedrich-Alexander-Universität Erlangen-Nürnberg, Diss., 2021

Dahms, S.O.; Haider, T.; Klebe, G.; Steinmetzer, T.; Brandstetter, H.: OFF-State-Specific Inhibition of the Proprotein Convertase Furin. , ACS Chemical Biology 16 (2021), p. 1692-1700
doi: 10.1021/acschembio.1c00411

Irmscher, T.; Roske, Y.; Gayk, I.; Dunsing, V.; Chiantia, S.; Heinemann, U.; Barbirz, S.: Pantoea stewartii WceF is a glycan biofilm-modifying enzyme with a bacteriophage tailspike-like fold. , Journal of Biological Chemistry 296 (2021), p. 100286/1-10
doi: 10.1016/j.jbc.2021.100286

Schuiten, E.D.; Badenhorst, C.P.S.; Palm, G.J.; Berndt, L.; Lammers, M.; Mican, J.; Bednar, D.; Damborsky, J.; Bornscheuer, U.T.: Promiscuous Dehalogenase Activity of the Epoxide Hydrolase CorEH from Corynebacterium sp. C12. , ACS Catalysis 11 (2021), p. 6113-6120
doi: 10.1021/acscatal.1c00851

Hao, Y.; Wang, Y.; Spree, L.; Liu, F.: Rotation of fullerene molecules in the crystal lattice of fullerene/porphyrin: C60 and Sc3N@C80. , Inorganic Chemistry Frontiers 8 (2021), p. 122-126
doi: 10.1039/d0qi01101k

Schwotzer, F.; Senkovska, I.; Bon, V.; Lochmann, S.; Evans, J.D.; Pohl, D.; Rellinghaus, B.; Kaskel, S.: Solvent-assisted delamination of layered copper dithienothiophene-dicarboxylate (DUT-134). , Inorganic Chemistry Frontiers 8 (2021), p. 3308-3316
doi: 10.1039/d1qi00349f

Shaposhnikova, A.; Kuty, M.; Chaloupkova, R.; Damborsky, J.; Kuta Smatanova, I.; Minofar, B.; Prudnikova, T.: Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids. , Crystals (Basel) 11 (2021), p. 1052/1-16
doi: 10.3390/cryst11091052

Linhares, N.D.; Wilk, P.; Wator, E.; Tostes, M.A.; Weiss, M.S.; Pena, S.D. J.: Structural analysis of new compound heterozygous variants in PEPD gene identified in a patient with Prolidase Deficiency diagnosed by exome sequencing. , Genetics and Molecular Biology 44 (2021), p. e20200393/1-12
doi: 10.1590/1678-4685-gmb-2020-0393

Bujacz, A.; Rum, J.; Rutkiewicz, M.; Pietrzyk-Brzezinska, A. J.; Bujacz, G.: Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6. , Materials 14 (2021), p. 3351/1-19
doi: 10.3390/ma14123351

Zeelen, J.; van Straaten, M.; Verdi, J.; Hempelmann, A.; Hashemi, H.; Perez, K.; Jeffrey, P.D.; Hälg, S.; Wiedemar, N.; Mäser, P.; Papavasiliou, F.N.; Stebbins, C.E.: Structure of trypanosome coat protein VSGsur and function in suramin resistance. , Nature Microbiology 6 (2021), p. 392–400
doi: 10.1038/s41564-020-00844-1

Huang, Yong-Heng: Structure-based mechanisms of processive transcription anti-termination. , Berlin, Freie Universität Berlin, Diss., 2021

Pfahler, Julian: Strukturelle und funktionelle Untersuchungen der humanen Proteine DBC1, PARP1 und Sirt1 sowie ihrer Interaktionen. , Universität Bayreuth, 2021

Reiberger, R.; Radilová, K.; Kral, M.; Zima, V.; Majer, P.; Brynda, J.; Dracínsky, M.; Konvalinka, J.; Kozisek, M.; Machara, A.: Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors. , International Journal of Molecular Sciences 22 (2021), p. 7735/1-28
doi: 10.3390/ijms22147735

Nguyen, D.; Xie, X.; Jakobi, S.; Terwesten, F.; Metz, A.; Nguyen, T.X.P.; Palchykov, V.A.; Heine, A.; Reuter, K.; Klebe, G.: Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. , ACS Chemical Biology 16 (2021), p. 1090-1098
doi: 10.1021/acschembio.1c00296

Shen, S.; Picci, C.; Ustinova, K.; Benoy, V.; Kutil, Z.; Zhang, G.; Tavares, M.T.; Pavlícek, J.; Zimprich, C.A.; Robers, M.B.; Van Den Bosch, L.; Barinka, C.; Langley, B.; Kozikowski, A.P.: Tetrahydroquinoline-Capped Histone Deacetylase 6 Inhibitor SW-101 Ameliorates Pathological Phenotypes in a Charcot-Marie-Tooth Type 2A Mouse Model. , Journal of Medicinal Chemistry 64 (2021), p. 4810-4840
doi: 10.1021/acs.jmedchem.0c02210

Lam van, T.V.; Heindl, M.R.; Schlutt, C.; Böttcher-Friebertshäuser, E.; Bartenschlager, R.; Klebe, G.; Brandstetter, H.; Dahms, S.O.; Steinmetzer, T.: The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin. , ACS Medicinal Chemistry Letters 12 (2021), p. 426-432
doi: 10.1021/acsmedchemlett.0c00651

Schmidt, T.G.M.; Eichinger, A.; Schneider, M.; Bonet, L.; Carl, U.; Karthaus, D.; Theobald, I.; Skerra, A.: The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide. , Journal of Molecular Biology : jmb 433 (2021), p. 166893/1-20
doi: 10.1016/j.jmb.2021.166893

Lei, J.; Ma-Lauer, Y.; Han, Y.; Thoms, M.; Buschauer, R.; Jores, J.; Thiel, V.; Beckmann, R.; Deng, W.; Leonhardt, H.; Hilgenfeld, R.; von Brunn, A.: The SARS-unique domain (SUD) of SARS-CoV and SARS-CoV-2 interacts with human Paip1 to enhance viral RNA translation. , The EMBO Journal 40 (2021), p. e102277/1-19
doi: 10.15252/embj.2019102277

Romero-Romero, S.; Costas, M.; Silva Manzano, D.A.; Kordes, S.; Rojas-Ortega, E.; Tapia, C.; Guerra, Y.; Shanmugaratnam, S.; Rodríguez-Romero, A.; Baker, D.; Höcker, B.; Fernández-Velasco, D.A.: The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach. , Journal of Molecular Biology : jmb 433 (2021), p. 167153/1-20
doi: 10.1016/j.jmb.2021.167153

Sandner, A.; Ngo, K.; Sager, C.P.; Scheer, F.; Daude, M.; Diederich, W.E.; Heine, A.; Klebe, G.: Which Properties Allow Ligands to Open and Bind to the Transient Binding Pocket of Human Aldose Reductase? , Biomolecules 11 (2021), p. 1837/1-21
doi: 10.3390/biom11121837

Wollenhaupt, J.; Barthel, T.; Lima, G.M.A.; Metz, A.; Wallacher, D.; Jagudin, E.; Huschmann, F.U.; Hauß, T.; Feiler, C.G.; Gerlach, M.; Hellmig, M.; Förster, R.; Steffien, M.; Heine, A.; Klebe, G.; Mueller, U.; Weiss, M.S.: Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin. , Journal of visualized experiments : JoVE 169 (2021), p. e6220/1-19 + video
doi: 10.3791/62208

2020

Kalabova, D.; Filandr, F.; Alblova, M.; Petrvalska, O.; Horvath, M.; Man, P.; Obsil, T.; Obsilova, V.: 14-3-3 protein binding blocks the dimerization interface of caspase-2. , FEBS Journal 287 (2020), p. 3494-3510
doi: 10.1111/febs.15215

Jadhav, P.V.; Sinha, V.K.; Chugh, S.; Kotyada, C.; Bachhav, D.; Singh, R.; Rothweiler, U.; Singh, M.: 2.09 angstrom Resolution structure of E. coli HigBA toxin-antitoxin complex reveals an ordered DNA-binding domain and intrinsic dynamics in antitoxin. , Biochemical Journal 477 (2020), p. 4001-4019
doi: 10.1042/bcj20200363

Smietanska, J.; Sliwiak, J.; Gilski, M.; Dauter, Z.; Strzalka, R.; Wolny, J.; Jaskolski, M.: A new modulated crystal structure of the ANS complex of the St John's wort Hyp-1 protein with 36 protein molecules in the asymmetric unit of the supercell. , Acta Crystallographica Section D - Structural biology 76 (2020), p. 653-667
doi: 10.1107/S2059798320006841
Data-doi: 10.18150/repod.6735329

Glöckner, S.; Heine, A.; Klebe, G.: A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. , Biomolecules 10 (2020), p. 518/1-11
doi: 10.3390/biom10040518

Zhang, L.; Lin, D.; Kusov, Y.; Nian, Y.; Ma, Q.; Wang, J.; Von Brunn, A.; Leyssen, P.; Lanko, K.; Neyts, J.; De Wilde, A.; Snijder, E.J.; Liu, H.; Hilgenfeld, R.: α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment. , Journal of Medicinal Chemistry 63 (2020), p. 4562-4578
doi: 10.1021/acs.jmedchem.9b01828

Hoffmann, S.; Terhorst, T.M.E.; Singh, R.K.; Kümmel, D.; Pietrokovski, S.; Mootz, H.D.: Biochemical and Structural Characterization of an Unusual and Naturally Split Class 3 Intein. , ChemBioChem 22 (2020), p. 364-373
doi: 10.1002/cbic.202000509

Ni, X.; Knapp, S.; Chaikuad, A.: Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1. , Scientific Reports 10 (2020), p. 13459/1-10
doi: 10.1038/s41598-020-69832-z

Glöckner, S.; Ngo, K.; Sager, C.P.; Hüfner-Wulsdorf, T.; Heine, A.; Klebe, G.: Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. , ACS Chemical Biology 15 (2020), p. 675-685
doi: 10.1021/acschembio.9b00895

Motlova, L.; Klimova, N.; Fiser, R.; Sebo, P.; Bumba, L.: Continuous Assembly of beta-Roll Structures Is Implicated in the Type I-Dependent Secretion of Large Repeat-in-Toxins (RTX) Proteins. , Journal of Molecular Biology : jmb 432 (2020), p. 5696-5710
doi: 10.1016/j.jmb.2020.08.020

Zhang, L.; Lin, D.; Sun, X.; Curth, U.; Drosten, C.; Sauerhering, L.; Becker, S.; Rox, K.; Hilgenfeld, R.: Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors. , Science 368 (2020), p. 409-412
doi: 10.1126/science.abb3405

Bahat, Y.; Alter, J.; Dessau, M.: Crystal structure of tomato spotted wilt virus G N reveals a dimer complex formation and evolutionary link to animal-infecting viruses. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 117 (2020), p. 26237
doi: 10.1073/pnas.2004657117

Mais, C.N.; Hermann, L.; Altegoer, F.; Seubert, A.; Richter, A.A.; Wernersbach, I.; Czech, L.; Bremer, E.; Bange, G.: Degradation of the microbial stress protectants and chemical chaperones ectoine and hydroxyectoine by a bacterial hydrolase-deacetylase complex. , Journal of Biological Chemistry 295 (2020), p. 9087-9104
doi: 10.1074/jbc.RA120.012722

Deuschle, F.C.; Schiefner, A.; Brandt, C.; Skerra, A.: Design of a surrogate Anticalin protein directed against CD98hc for preclinical studies in mice. , Protein Science 29 (2020), p. 1774-1783
doi: 10.1002/pro.3894

Deuschle, Friedrich-Christian: Design von Anticalinen gegen CD98hc als molekulare Werkzeuge für die Theranostik. , München, Technische Universität München, Diss., 2020

Deuschle, F.C.; Morath, V.; Schiefner, A.; Brandt, C.; Ballke, S.; Reder, S.; Steiger, K.; Schwaiger, M.; Weber, W.; Skerra, A.: Development of a high affinity Anticalin®directed against human CD98hc for theranostic applications. , Theranostics 10 (2020), p. 2172-2187
doi: 10.7150/thno.38968

Barwiolek, M.; Kaczmarek-Kedziera, A.; Muziol, T.M.; Jankowska, D.; Jezierska, J.; Bienko, A.: Dinuclear Copper(II) Complexes with Schiff Bases Derived from 2-Hydroxy-5-Methylisophthalaldehyde and Histamine or 2-(2-Aminoethyl)pyridine and Their Application as Magnetic and Fluorescent Materials in Thin Film Deposition. , International Journal of Molecular Sciences 21 (2020), p. 4587/1-25
doi: 10.3390/ijms21134587

Irmscher, Tobias: Enzymatic remodelling of the exopolysaccharide stewartan network. , Potsdam, Universität Potsdam, Diss., 2020

Wollenhaupt, J.; Metz, A.; Barthel, T.; Lima, G.M.A.; Heine, A.; Mueller, U.; Klebe, G.; Weiss, M.S.: F2X Universal and F2X Entry: structurally diverse compound libraries for crystallographic fragment screening. , Structure 28 (2020), p. 694-706.e5
doi: 10.1016/j.str.2020.04.019

Zender, M.; Witzgall, F.; Kiefer, A.; Kirsch, B.; Maurer, C.K.; Kany, A.M.; Xu, N.; Schmelz, S.; Borger, C.; Blankenfeldt, W.; Empting, M.: Flexible Fragment Growing Boosts Potency of Quorum-Sensing Inhibitors against Pseudomonas aeruginosa Virulence. , ChemMedChem 15 (2020), p. 188-194
doi: 10.1002/cmdc.201900621

Raczynska, J.E.; Imiolczyk, B.; Komorowska, M.; Sliwiak, J.; Czyrko-Horczak, J.; Brzezinski, K.; Jaskolski, M.: Flexible loops of New Delhi metallo-beta-lactamase modulate its activity towards different substrates. , International Journal of Biological Macromolecules 158 (2020), p. 104-115
doi: 10.1016/j.ijbiomac.2020.04.219

Muller, Y.A.; Häge, S.; Alkhashrom, S.; Höllriegl, T.; Weigert, S.; Dolles, S.; Hof, K.; Walzer, S.A.; Egerer-Sieber, C.; Conrad, M.; Holst, S.; Lösing, J.; Sonntag, E.; Sticht, H.; Eichler, J.; Marschall, M.: High-resolution crystal structures of two prototypical beta- and gamma-herpesviral nuclear egress complexes unravel the determinants of subfamily specificity. , Journal of Biological Chemistry 295 (2020), p. 3189-3201
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Triandafillidis, D.P.; Parthenios, N.; Spiliopoulou, M.; Valmas, A.; Kosinas, C.; Gozzo, F.; Reinle-Schmitt, M.; Beckers, D.; Degen, T.; Pop, M.; Fitch, A.N.; Wollenhaupt, J.; Weiss, M.S.; Karavassili, F.; Margiolaki, I.: Insulin polymorphism induced by two polyphenols: New crystal forms and advances in macromolecular powder diffraction. , Acta Crystallographica Section D - Structural biology 76 (2020), p. 1065-1079
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Rutkiewicz, M.; Wanarska, M.; Bujacz, A.: Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-ᴅ-Galactosidase from Arthrobacter sp. 32cB. , International Journal of Molecular Sciences 21 (2020), p. 5354/1-19
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Kim, K.; Kwon, H.; Barinka, C.; Motlova, L.; Nam, S.; Choi, D.; Ha, H.; Nam, H.; Son, S.H.; Minn, I.; Pomper, M.G.; Yang, X.; Kutil, Z.; Byun, Y.: Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen. , Journal of Medicinal Chemistry 63 (2020), p. 3261-3273
doi: 10.1021/acs.jmedchem.9b02022

Wanior, M.; Preuss, F.; Ni, X.; Krämer, A.; Mathea, S.; Göbel, T.; Heidenreich, D.; Simonyi, S.; Kahnt, A.S.; Joerger, A.C.; Knapp, S.: Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. , Journal of Medicinal Chemistry 63 (2020), p. 14680-14699
doi: 10.1021/acs.jmedchem.0c01242

Lynagh, T.; Kiontke, S; Meyhoff-Madsen, M.; Gless, B.H.; Johannesen, J.; Kattelmann, S.; Christiansen, A.; Dufva, M.; Laustsen, A.H.; Devkota, K.; Olsen, C.A.; Kümmel, D.; Pless, S.A.; Lohse, B.: Peptide Inhibitors of the α-Cobratoxin-Nicotinic Acetylcholine Receptor Interaction. , Journal of Medicinal Chemistry 63 (2020), p. 13709-13718
doi: 10.1021/acs.jmedchem.0c01202

Schiefner, A.; Walser, R.; Gebauer, M.; Skerra, A.: Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization. , Acta Crystallographica Section F - Structural Biology Communications 76 (2020), p. 320-325
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Barkovskiy, Mikhail: Protein design of hapten-specific Anticalins as therapeutic antidotes and biochemical reagents. , München, Technische Universität München, Diss., 2020

Ngo, K.; Collins-Kautz, C; Gerstenecker, S; Wagner, B; Heine, A; Klebe, G: Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? , Journal of Medicinal Chemistry 63 (2020), p. 3274-3289
doi: 10.1021/acs.jmedchem.9b02061

Noonepalle, S.; Shen, S.; Ptacek, J.; Tavares, M.T.; Zhang, G.; Stransky, J.; Pavlicek, J.; Ferreira, G.M.; Hadley, M.; Pelaez, G.; Barinka, C.; Kozikowski, A.; Villagra, A.: Rational Design of Suprastat, a Novel Selective Histone Deacetylase 6 Inhibitor with the Ability to Potentiate Immunotherapy in Melanoma Models. , Journal of Medicinal Chemistry 63 (2020), p. 10246-10262
doi: 10.1021/acs.jmedchem.0c00567

Klingl, S.; Kordes, S.; Schmid, B.; Gerlach, R.G.; Hensel, M.; Muller, Y.A.: Recombinant protein production and purification of SiiD, SiiE and SiiF - Components of the SPI4-encoded type I secretion system from Salmonella Typhimurium. , Protein Expression and Purification 172 (2020), p. 105632/1-9
doi: 10.1016/j.pep.2020.105632

Lentini Santo, D.; Petrvalska, O.; Obsilova, V.; Ottmann, C.; Obsil, T.: Stabilization of Protein-Protein Interactions between CaMKK2 and 14-3-3 by Fusicoccins. , ACS Chemical Biology 15 (2020), p. 3060-3071
doi: 10.1021/acschembio.0c00821

Lindenblatt, D.; Nickelsen, A.; Applegate, V.M.; Jose, J.; Niefind, K.: Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. , Journal of Medicinal Chemistry 63 (2020), p. 7766-7772
doi: 10.1021/acs.jmedchem.0c00587

Meyer, T.; Zumbrägel, N.; Geerds, C.; Gröger, H.; Niemann, H.H.: Structural Characterization of an S-enantioselective Imine Reductase from Mycobacterium Smegmatis. , Biomolecules 10 (2020), p. 1130/1-13
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Kremling, Viviane: Structural insights into ligand-receptor interaction of Equine herpesvirus type 1 and 4. , Berlin, Freie Universität Berlin, Diss., 2020

Zielinski, K.; Sekula, B.; Bujacz, A.; Szymczak, I.: Structural investigations of stereoselective profen binding by equine and leporine serum albumins. , Chirality 32 (2020), p. 334-344
doi: 10.1002/chir.23162

Kolenko, P.; Svoboda, J.; Cerný, J.; Charnavets, T.; Schneider, B.: Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches. , Acta Crystallographica Section D - Structural biology 76 (2020), p. 1233-1243
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Widmann, C.; Ismail, M.; Sewald, N.; Niemann, H.H.: Structure of apo flavin-dependent halogenase Xcc4156 hints at a reason for cofactor-soaking difficulties. , Acta Crystallographica Section D - Structural biology 76 (2020), p. 687-697
doi: 10.1107/s2059798320007731

Kugler, Michael: Structure-based design of human carbonic anhydrase inhibitors = Strukturou inspirovaný návrh inhibitorů lidské karbonáthydrolyasy. , Prag, University of Chemistry and Technology, Prague (UCT Prague), 2020

Dvoranová, J.; Kugler, M.; Holub, J.; Sícha, V.; Das, V.; Nekvinda, J.; El Anwar, S.; Havránek, M.; Pospísilová, K.; Fábry, M.; Král, V.; Medvedíková, M.; Matejková, S.; Lisková, B.; Gurská, S.; Dzubák, P.; Brynda, J.; Hajdúch, M.; Grüner, B.; Rezácová, P.: Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX. , European Journal of Medicinal Chemistry 200 (2020), p. 112460/1-13
doi: 10.1016/j.ejmech.2020.112460

Ngo, Trong Khang: Synthese von D-Phe/D-DiPhe-Pro-basierenden Liganden und deren biophysikalischen Charakterisierung zur Selektivitätsstudie von Thrombin und Trypsin sowie ein synthetischer Beitrag zur Darstellung von Inhibitoren der Aldose-Reduktase und Carboanhydrase II. , Uni Marburg, 2020

Grave, K.; Griese, J.J.; Berggren, G.; Bennett, M.D.; Hogbom, M.: The Bacillus anthracis class Ib ribonucleotide reductase subunit NrdF intrinsically selects manganese over iron. , Journal of Biological Inorganic Chemistry 25 (2020), p. 571-582
doi: 10.1007/s00775-020-01782-3

Houser, J.; Kozmon, S.; Mishra, D.; Hammerová, Z.; Wimmerová, M.; Koca, J.: The CH-pi Interaction in Protein-Carbohydrate Binding: Bioinformatics and In Vitro Quantification. , Chemistry - A European Journal 26 (2020), p. 10769-10780
doi: 10.1002/chem.202000593

Grau, F.C.; Jaeger, J.; Groher, F.; Suess, B.; Muller, Y.A.: The complex formed between a synthetic RNA aptamer and the transcription repressor TetR is a structural and functional twin of the operator DNA-TetR regulator complex. , Nucleic Acids Research 48 (2020), p. 3366-3378
doi: 10.1093/nar/gkaa083

Nguyen, A.; Nguyen, D.; Nguyen, T.X.P.; Sebastiani, M.; Dörr, S.; Hernandez-Alba, O.; Debaene, F.; Cianferani, S.; Heine, A.; Klebe, G.; Reuter, K.: The Importance of Charge in Perturbing the Aromatic Glue Stabilizing the Protein-Protein Interface of Homodimeric tRNA-Guanine Transglycosylase. , ACS Chemical Biology 15 (2020), p. 3021-3029
doi: 10.1021/acschembio.0c00700

Raz, K.; Driller, R.; Dimos, N.; Ringel, M.; Bruck, T.; Loll, B.; Major, D.T.: The Impression of a Nonexisting Catalytic Effect: The Role of CotB2 in Guiding the Complex Biosynthesis of Cyclooctat-9-en-7-ol. , Journal of the American Chemical Society 142 (2020), p. 21562-21574
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Glöckner, S.; Ngo, K.; Wagner, B.; Heine, A.; Klebe, G.: The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. , Biomolecules 10 (2020), p. 509/1-22
doi: 10.3390/biom10040509

Kugler, M.; Holub, J.; Brynda, J.; Pospísilová, K.; Anwar, S.E.; Bavol, D.; Havránek, M.; Král, V.; Fábry, M.; Grüner, B.; Rezáková, P.: The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX. , Journal of Enzyme Inhibition and Medicinal Chemistry 35 (2020), p. 1800-1810
doi: 10.1080/14756366.2020.1816996

Palm, G.J.; Buchholz, I.; Werten, S.; Girbardt, B.; Berndt, L.; Delcea, M.; Hinrichs, W.: Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. , Biochimica et Biophysica Acta - Proteins and Proteomics 1868 (2020), p. 140404/1-12
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Schulze, V.K.; Klar, U.; Kosemund, D.; Wengner, A.M.; Siemeister, G.; Stöckigt, D.; Neuhaus, R.; Lienau, P.; Bader, B.; Prechtl, S.; Holton, S.J.; Briem, H.; Marquardt, T.; Schirok, H.; Jautelat, R.; Bohlmann, R.; Nguyen, D.; Fernandez-Montalvan, A.E.; Bömer, U.; Eberspaecher, U.; Brüning, M.; Dohr, O.; Raschke, M.; Kreft, B.; Mumberg, D.; Ziegelbauer, K.; Brands, M.; von Nussbaum, F.; Koppitz, M.: Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. , Journal of Medicinal Chemistry 63 (2020), p. 8025-8042
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2019

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Rutkiewicz, M.; Bujacz, A.; Wanarska, M.; Wierzbicka-Wos, A.; Cieslinski, H.: Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase from Arthrobacter sp. 32cB. , International Journal of Molecular Sciences 20 (2019), p. 4301/1-17
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Feiler, C.G.; Wallacher, D.; Weiss, M.S.: An All-in-one Sample Holder for Macromolecular X-ray Crystallography with Minimal Background Scattering. , Journal of visualized experiments : JoVE 149 (2019), p. e59722/1-10 + video
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Müller, J.; Kirschner, R.; Geyer, A.; Klebe, G.: Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage. , ACS Omega 4 (2019), p. 775–784
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Ehrling, S.; Senkovska, I.; Bon, V.; Evans, J.D.; Petkov, P.; Krupskaya, Y.; Kataev, V.; Wulf, T.; Krylov, A.; Vtyurin, A.; Krylova, S.; Adichtchev, S.; Slyusareva, E.; Weiss, M.S.; Buechner, B.; Heine, T.; Kaskel, S.: Crystal size versus paddle wheel deformability: selective gated adsorption transitions of the switchable metal-organic frameworks DUT-8(Co) and DUT-8(Ni). , Journal of Materials Chemistry A 7 (2019), p. 21459-21475
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Chen, F.; Lukat, P.; Iqbal, A.; Saile, K.; Kaever, V.; van den Heuvel, J.; Blankenfeldt, W.; Büssow, K.; Pessler, F.: Crystal structure of cis-aconitate decarboxylase reveals the impact of naturally occurring human mutations on itaconate synthesis. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 116 (2019), p. 20644-20654
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Zak, K.M.; Kalinska, M.; Wator, E.; Kuska, K.; Krutyholowa, R.; Dubin, G.; Popowicz, G.M.; Grudnik, P.: Crystal Structure of Kluyveromyces lactis Glucokinase (KlGlk1). , International Journal of Molecular Sciences 20 (2019), p. 4821/1-10
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Tratsiak, K.; Prudnikova, T.; Drienovska, I.; Damborsky, J.; Brynda, J.; Pachl, P.; Kuty, M.; Chaloupkova, R.; Rezacova, P.; Smatanova, I.: Crystal structure of the cold-adapted haloalkane dehalogenase DpcA from Psychrobacter cryohalolentis K5. , Acta Crystallographica Section F - Structural Biology Communications 75 (2019), p. 324-331
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Grzechowiak, M.; Ruszkowski, M.; Sliwiak, J.; Szpotkowski, K.; Sikorski, M.; Jaskolski, M.: Crystal structures of plant inorganic pyrophosphatase, an enzyme with a moonlighting autoproteolytic activity. , Biochemical Journal 476 (2019), p. 2297-2319
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Bhujbalrao, R.; Anand, R.: Deciphering Determinants in Ribosomal Methyltransferases That Confer Antimicrobial Resistance. , Journal of the American Chemical Society 141 (2019), p. 1425-1429
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Fudim, R.; Szczepek, M.; Vierock, J.; Vogt, A.; Schmidt, A.; Kleinau, G.; Fischer, P.; Bartl, F.; Scheerer, P.; Hegemann, P.: Design of a light-gated proton channel based on the crystal structure of Coccomyxa rhodopsin. , Science Signaling 12 (2019), p. eaav4203/1-12
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Watts, E.; Heidenreich, D.; Tucker, E.; Raab, M.; Strebhardt, K.; Chesler, L.; Knapp, S.; Bellenie, B.; Hoelder, S.: Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. , Journal of Medicinal Chemistry 62 (2019), p. 2618-2637
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Shen, S.; Hadley, M.; Ustinova, K.; Pavlicek, J.; Knox, T.; Noonepalle, S.; Tavares, M.T.; Zimprich, C.A.; Zhang, G.; Robers, M.B.; Barinka, C.; Kozikowski, A.P.; Villagra, A.: Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models. , Journal of Medicinal Chemistry 62 (2019), p. 8557-8577
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Dejonghe, W.; Sharma, I.; Denoo, B.; De Munck, S.; Lu, Q.; Mishev, K.; Bulut, H.; Mylle, E.; De Rycke, R.; Vasileva, M.; Savatin, D.V.; Nerinckx, W.; Staes, A.; Drozdzecki, A.; Audenaert, D.; Yperman, K.; Madder, A.; Friml, J.; Van Damme, D.; Gevaert, K.; Haucke, V.; Savvides, S.N.; Winne, J.; Russinova, E.: Disruption of endocytosis through chemical inhibition of clathrin heavy chain function. , Nature Chemical Biology 15 (2019), p. 641-649
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Novotna, B.; Vanekova, L.; Zavrel, M.; Budesinsky, M.; Dejmek, M.; Smola, M.; Gutten, O.; Tehrani, Z.A.; Pimkova Polidarova, M.; Brazdova, A.; Liboska, R.; Stepanek, I.; Vavrina, Z.; Jandusik, T.; Nencka, R.; Rulisek, L.; Boura, E.; Brynda, J.; Pav, O.; Birkus, G.: Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations. , Journal of Medicinal Chemistry 62 (2019), p. 10676-10690
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De Bortoli, Francesca Danielle: Evolution, Function and Structure of the Splicing Factor PRPF39. , Berlin, Freie Universität Berlin, Diss., 2019

Gurung, M.K.; Altermark, B.; Helland, R.; Smalas, A.O.; Raeder, I.L.U.: Features and structure of a cold active N-acetylneuraminate lyase. , PLoS One 14 (2019), p. e0217713/1-27
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Zahradník, J.; Kolárová, L.; Peleg, Y.; Kolenko, P.; Svidenská, S.; Charnavets, T.; Unger, T.; Sussman, J.L.; Schneider, B.: Flexible regions govern promiscuous binding of IL-24 to receptors IL-20R1 and IL-22R1. , FEBS Journal 286 (2019), p. 3858-3873
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Liberka, M.; Kobylarczyk, J.; Muziol, T.; Ohkoshi, S.; Chorazy, S.; Podgajny, R.: Heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13–xW7}3 + and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal-cyanide magnetic clusters. , Inorganic Chemistry Frontiers 6 (2019), p. 3104-3118
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De Bortoli, F.; Neumann, A.; Kotte, A.; Timmermann, B.; Schueler, T.; Wahl, M.C.; Loll, B.; Heyd, F.: Increased versatility despite reduced molecular complexity: evolution, structure and function of metazoan splicing factor PRPF39. , Nucleic Acids Research 47 (2019), p. 5867–5879
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Rademacher, N.; Kuropka, B.; Kunde, S.-A.; Wahl, M.C.; Freund, C.; Shoichet, S.A.: Intramolecular domain dynamics regulate synaptic MAGUK protein interactions. , eLife 8 (2019), p. e41299/1-20
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Krutyholowa, R.; Hammermeister, A.; Zabel, R.; Abdel-Fattah, W.; Reinhardt-Tews, A.; Helm, M.; Stark, M.; Breunig, K.; Schaffrath, R.; Glatt, S.: Kti12, a PSTK-like tRNA dependent ATPase essential for tRNA modification by Elongator. , Nucleic Acids Research 47 (2019), p. 4814-4830
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Driller, R.; Ballaschk, M.; Schmieder, P.; Uchanska-Ziegler, B.; Ziegler, A.; Loll, B.: Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype. , Journal of Biological Chemistry 294 (2019), p. 13269 –13279
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Merk, D.; Sreeramulu, S.; Kudlinzki, D.; Saxena, K.; Linhard, V.; Gande, S.L.; Hiller, F.; Lamers, C.; Nilsson, E.; Aagaard, A.; Wissler, L.; Dekker, N.; Bamberg, K.; Schubert-Zsilavecz, M.; Schwalbe, H.: Molecular tuning of farnesoid X receptor partial agonism. , Nature Communications 10 (2019), p. 2915/1-14
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Badran, M.J.; Bertoletti, N.; Keils, A.; Heine, A.; Klebe, G.; Marchais-Oberwinkler, S.: Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14. , Journal of Steroid Biochemistry and Molecular Biology 189 (2019), p. 135-144
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Tazarki, H.; Zeinyeh, W.; Esvan, Y.J.; Knapp, S.; Chatterjee, D.; Schröder, M.; Joerger, A.C.; Khiari, J.; Josselin, B.; Baratte, B.; Bach, S.; Ruchaud, S.; Anizon, F.; Giraud, F.; Moreau, P.: New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis. , European Journal of Medicinal Chemistry 166 (2019), p. 304-317
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Gardill, B.; Schmidt, K.; Muller, Y.A.: NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy. , Journal of Structural Biology 207 (2019), p. 169-182
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Fröhlich, C.; Sørum, V.; Thomassen, A.M.; Johnsen, P.J.; Leiros, H.-K.S.; Samuelsen, O.: OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs. , mSphere 4 (2019), p. e00024-19/1-15
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Muziol, T.M.; Tereba, N.; Podgajny, R.; Kedziera, D.; Wrzeszcz, G.: Solvent-assisted structural conversion involving bimetallic complexes based on the tris(oxalato)ferrate(iii) unit with the green -> blue -> red crystal color sequence. , Dalton Transactions 48 (2019), p. 11536-11546
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Nowacka, M.; Fernandes, H.; Kiliszek, A.; Bernat, A.; Lach, G.; Bujnicki, J.M.: Specific interaction of zinc finger protein Com with RNA and the crystal structure of a self-complementary RNA duplex recognized by Com. , PLoS One 14 (2019), p. e0214481/1-19
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Sandner, A.; Hüfner-Wulsdorf, T.; Heine, A.; Steinmetzer, T.; Klebe, G.: Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. , Journal of Medicinal Chemistry 62 (2019), p. 9753-9771
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Kirchweger, P.; Weiler, S.; Egerer-Sieber, C.; Blasl, A.-T.; Hoffmann, S.; Schmidt, C.; Sander, N.; Merker, D.; Gerlach, R.G.; Hensel, M.; Muller, Y.A.: Structural and functional characterization of SiiA, an auxiliary protein from the SPI4-encoded type 1 secretion system from Salmonella enterica. , Molecular Microbiology 112 (2019), p. 1403-1422
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Kanitz, M.; Blanck, S.; Heine, A.; Gulyaeva, A.; Gorbalenya, A.; Ziebuhr, J.; Diederich, W.: Structural basis for catalysis and substrate specificity of a 3C-like cysteine protease from a mosquito mesonivirus. , Virology 533 (2019), p. 21-33
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Ilina, Yulia: Structural characterization of Ni-containing metalloenzymes from archaea by X-ray crystallography and transmission electron microscopy. , Berlin, Humboldt Universität, Diss., 2019

Deuschle, F.-C.; Schiefner, A.; Skerra, A.: Structural differences between the ectodomains of murine and human CD98hc. , Proteins - Structure, Function and Bioinformatics 87 (2019), p. 693-698
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Sporny, M.; Guez-Haddad, J.; Lebendiker, M.; Ulisse, V.; Volf, A.; Mim, C.; Isupov, M.; Opatowsky, Y.: Structural Evidence for an Octameric Ring Arrangement of SARM1. , Journal of Molecular Biology : jmb 431 (2019), p. 3591-3605
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Rutkiewicz, M.; Bujacz, A.; Bujacz, G.: Structural features of cold-adapted dimeric GH2 β-D-galactosidase from Arthrobacter sp. 32cB. , Biochimica et Biophysica Acta - Proteins and Proteomics 1867 (2019), p. 776-786
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Williamson, A.; Leiros, H.-K.S.: Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation. , Nucleic Acids Research 47 (2019), p. 7147-7162
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Barak, R.; Yom-Tov, G.; Guez-Haddad, J.; Gasri-Plotnitsky, L.; Maimon, R.; Cohen-Berkman, M.; McCarthy, A.A.; Perlson, E.; Henis-Korenblit, S.; Isupov, M.N.; Opatowsky, Y.: Structural Principles in Robo Activation and Auto-inhibition. , Cell 177 (2019), p. 1-14
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Driller, Ronja: Structural studies of biotechnologically relevant enzymes. , Berlin, Freie Universität Berlin, Diss., 2019

Faelber, K.; Dietrich, L.; Noel, J.K.; Wollweber, F.; Pfitzner, A.K.; Muhleip, A.; Sanchez, R.; Kudryashev, M.; Chiaruttini, N.; Lilie, H.; Schlegel, J.; Rosenbaum, E.; Hessenberger, M.; Matthaeus, C.; Kunz, S.; von der Malsburg, A.; Noe, F.; Roux, A.; van der Laan, M.; Kuhlbrandt, W.; Daumke, O.: Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. , Nature 571 (2019), p. 429-433
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Palm, G.J.; Reisky, L.; Boettcher, D.; Mueller, H.; Michels, E.A. P.; Walczak, M.C.; Berndt, L.; Weiss, M.S.; Bornscheuer, U.T.; Weber, G.: Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate. , Nature Communications 10 (2019), p. 1717/1-10
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Dubankova, A.; Boura, E.: Structure of the yellow fever NS5 protein reveals conserved drug targets shared among flaviviruses. , Antiviral Research 169 (2019), p. 104536/1-8
doi: 10.1016/j.antiviral.2019.104536

Malecki, P.H.; Rueger, N.; Roatsch, M.; Krylova, O.; Link, A.; Jung, M.; Heinemann, U.; Weiss, M.S.: Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. , ChemMedChem 14 (2019), p. 1828-1839
doi: 10.1002/cmdc.201900441

Weiß, Simon Christoph: Strukturelle Charakterisierung von katalytischen und regulatorischen Proteinen des Escherichia coli Maltose/Maltodextrin-Systems. , München, Technische Universität München, Diss., 2019

Driller, Jan: Studies on the assembly and architecture of the Drosophila active zone scaffold. , Berlin, Freie Universität Berlin, Diss., 2019

Parisi, G.; Montemiglio, L.C.; Giuffre, A.; Macone, A.; Scaglione, A.; Cerutti, G.; Exertier, C.; Savino, C.; Vallone, B.: Substrate-induced conformational change in cytochrome P450 OleP. , The FASEB Journal 33 (2019), p. 1787-1800
doi: 10.1096/fj.201800450RR

Petrick, Joy Kristin: Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery. , Uni Marburg, 2019

Smidova, A.; Stankova, K.; Petrvalska, O.; Lazar, J.; Sychrova, H.; Obsil, T.; Zimmermannova, O.; Obsilova, V.: The activity of Saccharomyces cerevisiae Na+, K+/H+ antiporter Nha1 is negatively regulated by 14-3-3 protein binding at serine 481. , Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids 1866 (2019), p. 118534/1-14
doi: 10.1016/j.bbamcr.2019.118534

Götzke, H.; Kilisch, M.; Martinez-Carranza, M.; Sograte-Idrissi, S.; Rajavel, A.; Schlichthaerle, T.; Engels, N.; Jungmann, R.; Stenmark, P.; Opazo, F.; Frey, S.: The ALFA-tag is a highly versatile tool for nanobody-based bioscience applications. , Nature Communications 10 (2019), p. 4403/1-12
doi: 10.1038/s41467-019-12301-7

Shekurov, R.; Khrizanforova, V.; Gilmanova, L.; Khrizanforov, M.; Miluykov, V.; Kataeva, O.; Yamaleeva, Z.; Burganov, T.; Gerasimova, T.; Khamatgalimov, A.; Katsyuba, S.; Kovalenko, V.; Krupskaya, Y.; Kataev, V.; Büchner, B.; Bon, V.; Senkovska, I.; Kaskel, S.; Gubaidullin, A.; Sinyashin, O.; Budnikova, Y.: Zn and Co redox active coordination polymers as efficient electrocatalysts. , Dalton Transactions 48 (2019), p. 3601-3609
doi: 10.1039/c8dt04618b

2018

Smidova, A.; Alblova, M.; Kalabova, D.; Psenakova, K.; Rosulek, M.; Herman, P.; Obsil, T.; Obsilova, V.: 14-3-3 protein masks the nuclear localization sequence of caspase-2. , FEBS Journal 285 (2018), p. 4196-4213
doi: 10.1111/febs.14670

Ahkter, S.; Lund, B.A.; Ismael, A.; Langer, M.; Isaksson, J.; Christopeit, T.; Leiros, H.-K.S.; Bayer, A.: A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. , European Journal of Medicinal Chemistry 145 (2018), p. 634-648
doi: 10.1016/j.ejmech.2017.12.085

Czapinska, H.; Kowalska, M.; Zagorskaite, E.; Manakova, E.; Slyvka, A.; Xu, S.Y.; Siksnys, V.; Sasnauskas, G.; Bochtler, M.: Activity and structure of EcoKMcrA. , Nucleic Acids Research 46 (2018), p. 9829-9841
doi: 10.1093/nar/gky731

Schiefner, A.; Gebauer, M.; Richter, A.; Skerra, A.: Anticalins Reveal High Plasticity in the Mode of Complex Formation with a Common Tumor Antigen. , Structure 26 (2018), p. 1-8
doi: 10.1016/j.str.2018.02.003

Domnik, Lilith: Biochemische und strukturelle Untersuchungen der Kohlenmonoxid-Dehydrogenasen CODH-II und CODH-IV aus Carboxydothermus hydrogenoformans. , Berlin, Humboldt Universität, Diss., 2018

Borchert, A.; Kalms, J.; Roth, S.; Rademacher, M.; Schmidt, A.; Holzhutter, H.; Kuhn, H.; Scheerer, P.: Crystal structure and functional characterization of selenocysteine-containing glutathione peroxidase 4 suggests an alternative mechanism of peroxide reduction. , Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids 1863 (2018), p. 1095-1107
doi: 10.1016/j.bbalip.2018.06.006

Fernandes, H.; Czapinska, H.; Grudziaz, K.; Bujnicki, J.M.; Nowacka, M.: Crystal structure of human Acinus RNA recognition motif domain. , PeerJ 6 (2018), p. e5163/1-17
doi: 10.7717/peerj.5163

Skerlova, J.; Blaha, J.; Pachl, P.r; Hofbauerova, K.; Kukacka, Z.; Man, P.; Pompach, P.; Novak, P.; Otwinowski, Z.; Brynda, J.; Vanek, O.; Rezacova, P.: Crystal structure of native beta-N-acetylhexosaminidase isolated from Aspergillus oryzae sheds light onto its substrate specificity, high stability, and regulation by propeptide. , FEBS Journal 285 (2018), p. 580-598
doi: 10.1111/febs.14360

Pietrzyk-Brzezinska, A.J.; Absmeier, E.; Klauck, E.; Wen, Y.; Antelmann, H.; Wahl, M.C.: Crystal Structure of the Escherichia coli DExH-Box NTPase HrpB. , Structure 26 (2018), p. 1462-1473.e4
doi: 10.1016/j.str.2018.07.013

Homburg, Constanze: Der ABC-Importer MalF1G1K12-E1 aus Lactobacillus casei BL23 - Biochemische Charakterisierung und Einblicke in die Regulation durch P-Ser46-HPr. , Berlin, Humboldt Universität, Diss., 2018

Schmidt, Karin: Design of an allosterically controlled serpin-based drug shuttle for the delivery of doxycycline and doxorubicin. , Erlangen, Nürnberg, Friedrich-Alexander-Universität Erlangen-Nürnberg, Diss., 2018

Rebets, Y.; Schmelz, S.; Gromyko, O.; Tistechok, S.; Petzke, L.; Scrima, A.; Luzhetskyy, A.: Design, development and application of whole-cell based antibiotic-specific biosensor. , Metallography, Microstructure, and Analysis 47 (2018), p. 263-270
doi: 10.1016/j.ymben.2018.03.019

Abbruzzetti, S.; Allegri, A.; Bidon-Chanal, A.; Ogata, H.; Soavi, G.; Cerullo, G.; Bruno, S.; Montali, C.; Luque, F.J.; Viappiani, C.: Electrostatic Tuning of the Ligand Binding Mechanism by Glu27 in Nitrophorin 7. , Scientific Reports 8 (2018), p. 10855/1-12
doi: 10.1038/s41598-018-29182-3

Wiechert, Franziska: Heterologous expression of the antifungal protein AFP from Aspergillus giganteus in Escherichia Coli. , Berlin, Technische Universität, Bachelor, 2018

Myllykoski, M.; Eichel, M.A.; Jung, R.B.; Kelm, S.; Werner, H.B.; Kursula, P.: High-affinity heterotetramer formation between the large myelin-associated glycoprotein and the dynein light chain DYNLL1. , Journal of Neurochemistry 147 (2018), p. 764-783
doi: 10.1111/jnc.14598

Rutkiewicz-Krotewicz, M.; Pietrzyk-Brzezinska, A.J.; Wanarska, M.; Cieslinski, H.; Bujacz, A.: In Situ Random Microseeding and Streak Seeding Used for Growth of Crystals of Cold-Adapted β-D-Galactosidases: Crystal Structure of βDG from Arthrobacter sp. 32cB. , Crystals (Basel) 8 (2018), p. 13
doi: 10.3390/cryst8010013

Wollenhaupt, J.; Henning, L.M.; Sticht, J.; Becke, C.; Freund, C.; Santos, K.F.; Wahl, M.C.: Intrinsically Disordered Protein Ntr2 Modulates the Spliceosomal RNA Helicase Brr2. , Biophysical Journal 114 (2018), p. 788-799
doi: 10.1016/j.bpj.2017.12.033

Qureshi, B.M.; Schmidt, A.; Behrmann, E.; Buerger, J.; Mielke, T.; Spahn, C.M.T.; Heck, M.; Scheerer, P.: Mechanistic insights into the role of prenyl-binding protein PrBP/delta in membrane dissociation of phosphodiesterase 6. , Nature Communications 9 (2018), p. 90/1-12
doi: 10.1038/s41467-017-02569-y

Czyrko, J.; Sliwiak, J.; Imiolczyk, B.; Gdaniec, Z.; Jaskolski, M.; Brzezinski, K.: Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa. , Scientific Reports 8 (2018), p. 11334/1-15
doi: 10.1038/s41598-018-29535-y

Weber, G.; DeKoster, G.T.; Holton, N.; Hall, K.B.; Wahl, M.C.: Molecular principles underlying dual RNA specificity in the Drosophila SNF protein. , Nature Communications 9 (2018), p. 2220
doi: 10.1038/s41467-018-04561-6

Poppe, J.; Reichelt, J.; Blankenfeldt, W.: Pseudomonas aeruginosapyoverdine maturation enzyme PvdP has a noncanonical domain architecture and affords insight into a new subclass of tyrosinases. , Journal of Biological Chemistry 293 (2018), p. 14926-14936
doi: 10.1074/jbc.RA118.002560

Banda-Vázquez, J.; Shanmugaratnam, S.; Rodríguez-Sotres, R.; Torres-Larios, A.; Höcker, B.; Sosa-Peinado, A.: Redesign of LAOBP to bind novel L-amino acid ligands. , Protein Science 27 (2018), p. 957-968
doi: 10.1002/pro.3403

Dauner, M.; Eichinger, A.; Lücking, G.; Scherer, S.; Skerra, A.: Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus. , Angewandte Chemie - International Edition 57 (2018), p. 14619-14623
doi: 10.1002/anie.201807442

Scheib, U.; Broser, M.; Constantin, O.; Yang, S.; Gao, S.; Mukherjee, S.; Stehfest, K.; Nagel, G.; Gee, C.; Hegemann, P.: Rhodopsin-cyclases for photocontrol of cGMP/cAMP and 2.3 angstrom structure of the adenylyl cyclase domain. , Nature Communications 9 (2018), p. 2046/1-15
doi: 10.1038/s41467-018-04428-w

Wilk, P.; Uehlein, M.; Piwowarczyk, R.; Dobbek, H.; Mueller, U.; Weiss, M.S.: Structural basis for prolidase deficiency disease mechanisms. , FEBS Journal 285 (2018), p. 3422-3441
doi: 10.1111/febs.14620

Schmidt, A.; Sauthof, L.; Szczepek, M.; Fernandez Lopez, M.; Velazquez Escobar, F.; Qureshi, B.M.; Michael, N.; Buhrke, D.; Stevens, T.; Kwiatkowski, D.; von Stetten, D.; Mroginski, M.; Krauß, N.; Lamparter, T.; Hildebrandt, P.; Scheerer, P.: Structural snapshot of a bacterial phytochrome in its functional intermediate state. , Nature Communications 9 (2018), p. 4912/1-13
doi: 10.1038/s41467-018-07392-7

Tomasz, Manszewski: Structural studies of S-adenosyl-L-homocysteine hydrolase from symbiotic nitrogen-fixing bacteria. , Poznan, Institute of Bioorganic Chemistry, Polish Academy of Sciences, thesis, 2018

Orlikowska, M.; de J. Rostro-Alanis, M.; Bujacz, A.; Hernández-Luna, C.; Rubio, R.; Parra, R.; Bujacz, G.: Structural studies of two thermostable laccases from the white-rot fungus Pycnoporus sanguineus. , International Journal of Biological Macromolecules 107 (2018), p. 1629-1640
doi: 10.1016/j.ijbiomac.2017.10.024

Antoshvili, M.; Caspy, I.; Hippler, M.; Nelson, N.: Structure and function of photosystem I in Cyanidioschyzon merolae. , Photosynthesis Research 139 (2018), p. 499-508
doi: 10.1007/s11120-018-0501-4

Komarek, J.; Ivanov Kavkova, E.; Houser, J.; Horackova, A.; Zdanska, J.; Demo, G.; Wimmerova, M.: Structure and properties of AB21, a novel Agaricus bisporus protein with structural relation to bacterial pore-forming toxins. , Proteins - Structure, Function and Bioinformatics 86 (2018), p. 897-911
doi: 10.1002/prot.25522

Drache, Franziska: Synthesis, functionalization and characterization of zirconium - and hafnium based metal-organic frameworks and improved impact of modulators on water adsorption, catalytic and sensor applications. , Dresden, Technische Universität Dresden, Diss., 2018

Haupt, A.; Walter, R.; Loll, B.; Lentz, D.: Tetracyanocorannulene – an easily accessible and strongly electron-deficient compound. , European Journal of Organic Chemistry 2018 (2018), p. 6338-6342
doi: 10.1002/ejoc.201801190

Imber, M.; Vu Van Loi, ; Reznikov, S.; Fritsch, V.N.; Pietrzyk-Brzezinska, A.J.; Prehn, J.; Hamilton, C.; Wahl, M.C.; Bronowska, A.K.; Antelmann, H.: The aldehyde dehydrogenase AldA contributes to the hypochlorite defense and is redox-controlled by protein S-bacillithiolation in Staphylococcus aureus. , Redox Biology 15 (2018), p. 557-568
doi: 10.1016/j.redox.2018.02.001

Zahradnik, J.; Kolenko, P.; Palyzova, A.; Cerny, J.; Kolarova, L.; Kyslikova, E.; Maresova, H.; Grulich, M.; Nunvar, J.; Sulc, M.; Kyslik, P.; Schneider, B.: The crystal structure of XdpB, the bacterial Old Yellow Enzyme, in an FMN-free form. , PLoS One 13 (2018), p. e0195299/1-18
doi: 10.1371/journal.pone.0195299

Kalms, J.; Schmidt, A.; Frielingsdorf, S.; Utesch, T.; Gotthard, G.; von Stetten, D.; van der Linden, P.; Royant, A.; Mroginski, M.; Carpentier, P.; Lenz, O.; Scheerer, P.: Tracking the route of molecular oxygen in O-2-tolerant membrane-bound [NiFe] hydrogenase. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 115 (2018), p. E2229-E2237
doi: 10.1073/pnas.1712267115

2017

Cramer, J.; Schiebel, J.; Grohe, K.; Najbauer, E.E.; Ehrmann, F.R.; Radeva, N.; Zitzer, N.; Linne, U.; Linser, R.; Heine, A.; Klebe, G.: A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. , Angewandte Chemie - International Edition 56 (2017), p. 1908-1913
doi: 10.1002/anie.201609824

Krause, S.; Bon, V.; Stoeck, U.; Senkovska, I.; Többens, D.; Wallacher, D.; Kaskel, S.: A Stimuli-Responsive Zirconium Metal-Organic Framework Based on Supermolecular Design. , Angewandte Chemie - International Edition 56 (2017), p. 10676-10680
doi: 10.1002/anie.201702357

Roth, C.; Weizenmann, N.; Bexten, N.; Saenger, W.; Zimmermann, W.; Maier, T.; Sträter, N.: Amylose recognition and ring-size determination of amylomaltase. , Science Advances 3 (2017), p. e1601386/1-10
doi: 10.1126/sciadv.1601386

Arencibia, J.M.; Fröhner, W.; Krupa, M.; Pastor-Flores, D.; Merker, P.; Oellerich, T.; Neimanis, S.; Schmithals, C.; Köberle, V.; Süß, E.; Zeuzem, S.; Stark, H.; Piiper, A.; Odadzic, D.; Schulze, J.O.; Biondi, R.M.: An Allosteric Inhibitor Scaffold Targeting the PIF-Pocket of Atypical Protein Kinase C Isoforms. , ACS Chemical Biology 12 (2017), p. 564-573
doi: 10.1021/acschembio.6b00827

Jin, Y.; Molt, R.W.; Pellegrini, E.; Cliff, M.J.; Bowler, M.W.; Richards, N.G.J.; Blackburn, G.M.; Waltho, J.P.: Assessing the Influence of Mutation on GTPase Transition States by Using X-ray Crystallography, 19F NMR, and DFT Approaches. , Angewandte Chemie - International Edition 56 (2017), p. 9732-9735
doi: 10.1002/anie.201703074

De Santi, C.; Leiros, H.-K.S.; Di Scala, A.; de Pascale, D.; Altermark, B.; Willassen, N.P.: Biochemical characterization and structural analysis of a new cold-active and salt-tolerant esterase from the marine bacterium Thalassospira sp. , Extremophiles 20 (2017), p. 323-336
doi: 10.1007/s00792-016-0824-z

Fritzsche, J.; Grzywa, M.; Denysenko, D.; Bon, V.; Senkovska, I.; Kaskel, S.; Volkmer, D.: CFA-4-a fluorinated metal-organic framework with exchangeable interchannel cations. , Dalton Transactions 46 (2017), p. 6745-6755
doi: 10.1039/c7dt00582b

Stranava, M.; Man, P.; Skálová, T.; Kolenko, P.; Blaha, J.; Fojtikova, V.; Martínek, V.; Dohnálek, J.; Lengalova, A.; lek, M.; Shimizu, T.; Martínková, M.: Coordination and redox state-dependent structural changes of the heme-based oxygen sensor AfGcHK associated with intraprotein signal transduction. , Journal of Biological Chemistry 292 (2017), p. 20921-20935
doi: 10.1074/jbc.M117.817023

Müller, P.; Bon, V.; Senkovska, I.; Getzschmann, J.; Weiss, M.S.; Kaskel, S.: Crystal Engineering of Phenylenebis(azanetriyl))tetrabenzoate Based Metal-Organic Frameworks for Gas Storage Applications. , Crystal Growth & Design 17 (2017), p. 3221-3228
doi: 10.1021/acs.cgd.7b00184

Zhang, F.; Ma, H.; Bowatte, K.; Kwiatkowski, D.; Mittmann, E.; Qasem, H.; Krauß, N.; Zeng, X.; Ren, Z.; Scheerer, P.; Yang, X.; Lamparter, T.: Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity. , Photochemistry and Photobiology 93 (2017), p. 323-330
doi: 10.1111/php.12699

Bujacz, A.; Talaj, J.A.; Zielinski, K.; Pietrzyk-Brzezinska, A.J.; Neumann, P.: Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid. , Acta Crystallographica Section D - Structural biology 73 (2017), p. 896-909
doi: 10.1107/S205979831701470X

Manszewski, T.; Szpotkowski, K.; Jaskolski, M.: Crystallographic and SAXS studies of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii. , IUCrJ 4 (2017), p. 271-282
doi: 10.1107/S2052252517002433

Müller, Janis: Erkennen von Proteinoberflächen durch ungewöhnliche Substrat-analoge Inhibitoren am Beispiel der cAMP-abhängigen Proteinkinase A. , Uni Marburg, 2017

Speck, David: Expression and purification of bovine cone 3‘,5‘-cyclic nucleotide phosphodiesterase 6. , Berlin, Freie Universität Berlin, Master, 2017

Krimmer, S.G.; Cramer, J.; Schiebel, J.; Heine, A.; Klebe, G.: How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin. , Journal of the American Chemical Society 139 (2017), p. 10419-10431
doi: 10.1021/jacs.7b05028

Homburg, C.; Bommer, M.; Wuttge, S.; Hobe, C.; Beck, S.; Dobbek, H.; Deutscher, J.; Licht, A.; Schneider, E.: Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. , Molecular Microbiology 105 (2017), p. 25-45
doi: 10.1111/mmi.13680

Cramer, Jonathan: Inhibitor Synthesis and Biophysical Characterization of Protein–Ligand–Solvent Interactions An Analysis of the Thermodynamics and Kinetics of Ligand Binding to Thermolysin. , Marburg, Philipps-Universität, Diss., 2017

Absmeier, E.; Becke, C.; Wollenhaupt, J.; Santos, K.F.; Wahl, M.C.: Interplay of cis- and trans-regulatory mechanisms in the spliceosomal RNA helicase Brr2. , Cell Cycle 16 (2017), p. 100-112
doi: 10.1080/15384101.2016.1255384

Weiss, M.S.: Long-Wavelength X-Ray Diffraction and Its Applications in Macromolecular Crystallography. , In: Alexander Wlodawer, Zbigniew Dauter, Mariusz Jaskolski [Ed.] : Protein crystallography : methods and protocols. New York, NY: Humana Press, 2017 (Methods in Molecular Biology ; 1607). - ISBN 978-1-4939-6998-2, p. 401-420
doi: 10.1007/978-1-4939-7000-1_17

Rabbani, S.; Krammer, E.M.; Roos, G.; Zalewski, A.; Preston, R.; Eid, S.; Zihlmann, P.; Prevost, M.; Lensink, M.F.; Thompson, A.; Ernst, B.; Bouckaert, J.: Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding. , IUCrJ 4 (2017), p. 7-23
doi: 10.1107/S2052252516016675

Rechlin, C.; Scheer, F.; Terwesten, F.; Wulsdorf, T.; Pol, E.; Fridh, V.; Toth, P.; Diederich, W.E.; Heine, A.; Klebe, G.: Price for Opening the Transient Specificity Pocket in Human Aldose Reductase upon Ligand Binding: Structural, Thermodynamic, Kinetic, and Computational Analysis. , ACS Chemical Biology 12 (2017), p. 1397-1415
doi: 10.1021/acschembio.7b00062

Werther, T.; Wahlefeld, S.; Salewski, J.; Kuhlmann, U.; Zebger, I.; Hildebrandt, P.; Dobbek, H.: Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase. , Nature Communications 8 (2017), p. 16084/1-8
doi: 10.1038/ncomms16084

Yom-Tov, G.; Barak, R.; Matalon, O.; Barda-Saad, M.; Guez-Haddad, J.; Opatowsky, Y.: Robo Ig4 Is a Dimerization Domain. , Journal of Molecular Biology : jmb 429 (2017), p. 3606-3616
doi: 10.1016/j.jmb.2017.10.002

Decaneto, E.; Vasilevskaya, T.; Kutin, Y.; Ogata, H.; Grossman, M.; Sagi, I.; Havenith, M.; Lubitz, W.; Thiel, W.; Cox, N.: Solvent water interactions within the active site of the membrane type I matrix metalloproteinase. , Physical Chemistry Chemical Physics 19 (2017), p. 30316-30331
doi: 10.1039/c7cp05572b

Piechotta, A.; Parthier, C.; Kleinschmidt, M.; Gnoth, K.; Pillot, T.; Lues, I.; Demuth, H.-U.; Schilling, S.; Rahfeld, J.-U.; Stubbs, M.T.: Structural and functional analyses of pyroglutamate-amyloid-beta-specific antibodies as a basis for Alzheimer immunotherapy. , Journal of Biological Chemistry 292 (2017), p. 12713-12724
doi: 10.1074/jbc.M117.777839

Kalms, Jacqueline: Structural examination of hydrophobic tunnels in proteins. , Berlin, Technische Universität, Diss., 2017

Dolan, S.K.; Bock, T.; Hering, V.; Owens, R.A.; Jones, G.W.; Blankenfeldt, W.; Doyle, S.: Structural, mechanistic and functional insight into gliotoxin bis-thiomethylation in Aspergillus fumigatus. , Open Biology 7 (2017), p. 160292/1-14
doi: 10.1098/rsob.160292

Bajagic, M.; Archna, A.; Büsing, P.; Scrima, A.: Structure of the WD40-domain of human ATG16L1. , Protein Science 26 (2017), p. 1828-1837
doi: 10.1002/pro.3222

Stieler, Martin: Structure-Based Design of a Blood Coagulation Factor XIII Blocker. , Uni Marburg, 2017

Barone, Matthias: Structure-optimized ProM scaffolds address Ena/VASP as a possible antimetastatic target. , Berlin, Freie Universität Berlin, Diss., 2017

Barciszewski, Jakub: Strukturalne podstawy działania ludzkiej mięśniowej fosfatazy fruktozo-1,6-bisfosforanu = Structural basis of fructose-1,6-bisphosphatase function. , Poznan, Institute of Bioorganic Chemistry, Polish Academy of Sciences, thesis, 2017

Wilk, P.; Uehlein, M.; Kalms, J.; Dobbek, H.; Mueller, U.; Weiss, M.S.: Substrate specificity and reaction mechanism of human prolidase. , FEBS Journal 284 (2017), p. 2870-2885
doi: 10.1111/febs.14158

Kutzscher, Christel; Janssen-Müller, Daniel; Notzon, Andreas; Stoeck, Ulrich; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Glorius, Frank: Synthesis of the homochiral metal-organic framework DUT-129 based on a chiral dicarboxylate linker with 6 stereocenters. , CrystEngComm 19 (2017), p. 2494-2499
doi: 10.1039/c7ce00410a

Krimmer, Stefan Günter: Systematic Correlation of Structural, Thermodynamic and Residual Solvation Properties of Hydrophobic Substituents in Hydrophobic Pockets Using Thermolysin as a Case Study. , Uni Marburg, 2017

Kalms, J.; Banthiya, S.; Galemou Yoga, E.; Hamberg, M.; Holzhutter, H.-G.; Kuhn, H.; Scheerer, P.: The crystal structure of Pseudomonas aeruginosa lipoxygenase Ala420Gly mutant explains the improved oxygen affinity and the altered reaction specificity. , Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids 1862 (2017), p. 463-473
doi: 10.1016/j.bbalip.2017.01.003

Eichinger, A.; Neumaier, I.; Pschenitza, M.; Niessner, R.; Knopp, D.; Skerra, A.: Tight Molecular Recognition of Benzo[a] pyrene by a High-Affinity Antibody. , Angewandte Chemie - International Edition 56 (2017), p. 10592-10597
doi: 10.1002/anie.201703893

2016

Radeva, N.; Schiebel, J.; Wang, X.; Krimmer, S.G.; Fu, K.; Stieler, M.; Ehrmann, F.R.; Metz, A.; Rickmeyer, T.; Betz, M.; Winquist, J.; Park, A.Y.; Huschmann, F.U.; Weiss, M.S.; Mueller, U.; Heine, A.; Klebe, G.: Active Site Mapping of an Aspartic Protease by Multiple Fragment Crystal Structures: Versatile Warheads To Address a Catalytic Dyad. , Journal of Medicinal Chemistry 59 (2016), p. 9743-9759
doi: 10.1021/acs.jmedchem.6b01195

Antonios, Gregory: Amyloid beta 4-42 in Alzheimer’s disease: Target, Therapy, Mechanism. , Uni Göttingen, 2016

Gilski, M.; Drozdzal, P.; Kierzek, R.; Jaskolski, M.: Atomic resolution structure of a chimeric DNA-RNA Z-type duplex in complex with Ba(2+) ions: a case of complicated multi-domain twinning. , Acta Crystallographica Section D - Structural biology 72 (2016), p. 211-223
doi: 10.1107/S2059798315024365

Rühmann, E.H.; Rupp, M.; Betz, M.; Heine, A.; Klebe, G.: Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures. , ChemMedChem 11 (2016), p. 309-319
doi: 10.1002/cmdc.201500531

Maiwald, A.; Hammami, M.; Wagner, S.; Heine, A.; Klebe, G.; Steinmetzer, T.: Changing the selectivity profile - from substrate analog inhibitors of thrombin and factor Xa to potent matriptase inhibitors. , Journal of Enzyme Inhibition and Medicinal Chemistry 31 (2016), p. 89-97
doi: 10.3109/14756366.2016.1172574

Schulte, T.; Liu, L.; Panas, M.D.; Thaa, B.; Dickson, N.; Gotte, B.; Achour, A.; McInerney, G.M.: Combined structural, biochemical and cellular evidence demonstrates that both FGDF motifs in alphavirus nsP3 are required for efficient replication. , Open Biology 6 (2016), p. 160078/1-15
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Navratil, M.; Tykvart, J.; Schimer, J.; Pachl, P.; Navratil, V.; Rokob, T.A.; Hlouchova, K.; Rulisek, L.; Konvalinka, J.: Comparison of human glutamate carboxypeptidases II and III reveals their divergent substrate specificities. , FEBS Journal 283 (2016), p. 2528-2545
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Yoga-Galemou, Etienne: Crystal structure analysis of the bacterial lipoxygenase from Pseudomonas aeruginosa. , Berlin, Freie Universität Berlin, Master, 2016

Mills, S.J.; Silvander, C.; Cozier, G.; Tresaugues, L.; Nordlund, P.; Potter, B.V.: Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase INPP5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family. , Biochemistry 55 (2016), p. 1384-1397
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Dolot, R.; Kaczmarek, R.; Seda, A.; Krakowiak, A.; Baraniak, J.; Nawrot, B.: Crystallographic studies of the complex of human HINT1 protein with a non-hydrolyzable analog of Ap4A. , International Journal of Biological Macromolecules 87 (2016), p. 62-69
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Zender, M.; Witzgall, F.; Drees, S.L.; Weidel, E.; Maurer, C.K.; Fetzner, S.; Blankenfeldt, W.; Empting, M.; Hartmann, R.W.: Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds. , ACS Chemical Biology 11 (2016), p. 1755-1763
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Graczer, E.; Szimler, T.; Garamszegi, A.; Konarev, P.V.; Labas, A.; Olah, J.; Pallo, A.; Svergun, D.I.; Merli, A.; Zavodszky, P.; Weiss, M.S.; Vast, M.: Dual Role of the Active Site Residues of Thermus thermophilus 3-Isopropylmalate Dehydrogenase: Chemical Catalysis and Domain Closure. , Biochemistry 55 (2016), p. 560-574
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Baranovic, J.; Chebli, M.; Salazar, H.; Carbone, A.L.; Faelber, K.; Lau, A.J.; Daumke, O.; Plested, A.J.R.: Dynamics of the ligand binding domain layer during AMPA receptor activation. , Biophysical Journal 110 (2016), p. 896-911
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Radeva, N.; Krimmer, S.G.; Stieler, M.; Fu, K.; Wang, X.; Ehrmann, F.R.; Metz, A.; Huschmann, F.U.; Weiss, M.S.; Mueller, U.; Schiebel, J.; Heine, A.; Klebe, G.: Experimental Active-Site Mapping by Fragments - Hot Spots Remote from the Catalytic Center of Endothiapepsin. , Journal of Medicinal Chemistry 59 (2016), p. 7561-7575
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Radeva, Nedyalka: From Active-Site Mapping to Lead Discovery using Fragment-based Approaches on the Aspartic protease Endothiapepsin. , Uni Marburg, 2016

Le Cong, Karoline-Luisa: Herstellung, Kristallisation und Strukturaufklärung von bovinem Rhodopsin im Komplex mit verschiedenen von G-Proteinen abgeleiteten Peptiden. , Berlin, Freie Universität Berlin, Bachelor, 2016

Rauth, S.; Hinz, D.; Borger, M.; Uhrig, M.; Mayhaus, M.; Riemenschneider, M.; Skerra, A.: High-affinity Anticalins with aggregation-blocking activity directed against the Alzheimer beta-amyloid peptide. , Biochemical Journal 473 (2016), p. 1563-1578
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Schiebel, J.; Krimmer, S.G.; Röwer, K.; Knörlein, A.; Wang, X.; Park, A.Y.; Stieler, M.; Ehrmann, F.R.; Fu, K.; Radeva, N.; Krug, M.; Huschmann, F.U.; Glöckner, S.; Weiss, M.S.; Mueller, U.; Klebe, G.; Heine, A.: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. , Structure 24 (2016), p. 1398-1409
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Siva, M.; Svoboda, M.; Veverka, V.; Trempe, J.-F.; Hofmann, K.; Kozisek, M.; Hexnerova, R.; Sedlak, F.; Belza, J.; Brynda, J.; Sacha, P.; Hubalek, M.; Starkova, J.; Flaisigova, I.; Konvalinka, J.; Saskova, K.G.: Human DNA-Damage-Inducible 2 Protein Is Structurally and Functionally Distinct from Its Yeast Ortholog. , Scientific Reports 6 (2016), p. 30443/1-15
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Werten, S.; Schneider, J.; Palm, G.J.; Hinrichs, W.: Modular organisation of inducer recognition and allostery in the tetracycline repressor. , FEBS Journal 283 (2016), p. 2102-2114
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Doležal, M.; Zabransky, A.; Dostal, J.; Vanek, O.; Brynda, J.; Lepsík, M.; Hadravová, R.; Pichová, I.: Myristoylation drives dimerization of matrix protein from mouse mammary tumor virus. , Retrovirology 13 (2016), p. 1-15
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Neeb, M.; Hohn, C.; Ehrmann, F.R.; Härtsch, A.; Heine, A.; Diederich, F.; Klebe, G.: Occupying a flat subpocket in a tRNA-modifying enzyme with ordered or disordered side chains: Favorable or unfavorable for binding? , Bioorganic & Medicinal Chemistry 24 (2016), p. 4900-4910
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Hnizda, A.; Skerlova, J.; Fabry, M.; Pachl, P.; Sinalova, M.; Vrzal, L.; Man, P.; Novak, P.; Rezacova, P.; Veverka, V.: Oligomeric interface modulation causes misregulation of purine 5 '-nucleotidase in relapsed leukemia. , BMC Biology 14 (2016), p. 91
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Braun, B.M.; Traenkle, B.; Koch, A.P.; Emele, F.; Weiss, F.; Poetz, O.; Stehle, T.; Rothbauer, U.: Peptides in headlock – a novel high-affinity and versatile peptidebinding nanobody for proteomics and microscopy. , Scientific Reports 6 (2016), p. 19211/1-10
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Zhang, Linlin: Proteases of Emerging Viruses as Targets for Broad-Spectrum Inhibitors. , Lübeck, Universität zu Lübeck, Diss., 2016

Mejdrova, I.; Chalupska, D.; Plackova, P.; Mueller, C.; Sala, M.; Klima, M.; Baumlova, A.; Hrebabecky, H.; Prochazkova, E.; Dejmek, M.; Strunin, D.; Weber, J.; Lee, G.; Matousova, M.; Mertlikova-Kaiserova, H.; Ziebuhr, J.; Birkus, G.; Boura, E.; Nencka, R.: Rational Design of Novel Highly Potent and Selective Phosphatidylinositol 4-Kinase III beta (PI4KB) Inhibitors as Broad-Spectrum Antiviral Agents and Tools for Chemical Biology. , Journal of Medicinal Chemistry 60 (2016), p. 100-118
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Spanopoulos, I.; Tsangarakis, C.; Klontzas, E.; Tylianakis, E.; Froudakis, G.; Adil, K.; Belmabkhout, Y.; Eddaoudi, M.; Pantelis, N.T.: Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage. , Journal of the American Chemical Society 138 (2016), p. 1568–1574
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Ulrich, A.; Seeger, M.; Schütze, T.; Bartlick, N.; Wahl, M.C.: Scaffolding in the Spliceosome via Single α Helices. , Structure 24 (2016), p. 1972-1983
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Lund, B.A.; Christopeit, T.; Guttormsen, Y.; Bayer, A.; Leiros, H.-K.S.: Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening. , Journal of Medicinal Chemistry 59 (2016), p. 5542-5554
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Banthiya, S.; Kalms, J.; Yoga Galemou, E.; Ivanov, I.; Carpena, X.; Hamberg, M.; Kuhn, H.; Scheerer, P.: Structural and functional basis of phospholipid oxygenase activity of bacterial lipoxygenase from Pseudomonas aeruginosa. , Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids 1861 (2016), p. 1681-1692
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Lei, J.; Hilgenfeld, R.: Structural and mutational analysis of the interaction between the Middle-East respiratory syndrome coronavirus (MERS-CoV) papain-like protease and human ubiquitin. , Virologica Sinica 31 (2016), p. 288-299
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Schiefner, A.; Angelov, A.; Liebl, W.; Skerra, A.: Structural basis for cellulose binding by the type A carbohydrate-binding module 64 of Spirochaeta thermophila. , Proteins - Structure, Function and Bioinformatics 84 (2016), p. 855-858
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Thorsell, A.G.; Ekblad, T.; Karlberg, T.; Löw, M.; Pinto, A.F.; Tresaugues, L.; Moche, M.; Cohen, M.S.; Schüler, H.: Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. , Journal of Medicinal Chemistry 60 (2016), p. 1262-1271
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Sekula, B.; Ciesielska, A.; Rytczak, P.; Koziolkiewicz, M.; Bujacz, A.: Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties. , Bioscience Reports 36 (2016), p. e00338
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Sekula, B.; Bujacz, A.: Structural Insights into the Competitive Binding of Diclofenac and Naproxen by Equine Serum Albumin. , Journal of Medicinal Chemistry 59 (2016), p. 82-89
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Dannoon, S.; Ganguly, T.; Cahaya, H.; Geruntho, J.J.; Galliher, M.S.; Beyer, S.K.; Choy, C.J.; Hopkins, M.R.; Regan, M.; Blecha, J.E.; Skultetyova, L.; Drake, C.R.; Jivan, S.; Barinka, C.; Jones, E.F.; Berkman, C.E.; VanBrocklin, H.F.: Structure-Activity Relationship of F-18-Labeled Phosphoramidate Peptidomimetic Prostate-Specific Membrane Antigen (PSMA)-Targeted Inhibitor Analogues for PET Imaging of Prostate Cancer. , Journal of Medicinal Chemistry 59 (2016), p. 5684-5694
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Kundu, P.; Biswas, R.; Mukherjee, S.; Reinhard, L.; Dutta, A.; Mueller-Dieckmann, J.; Weiss, M.S.; Pal, N.K.; Das, A.K.: Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28. , Journal of Biological Chemistry 291 (2016), p. 13943-13954
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Ehrmann, Frederik Rainer: Strukturbasierte Entwicklung und Charakterisierung von Inhibitoren der TGT,ein mögliches Ziel zur Therapie der Bakterienruhr. , Uni Marburg, 2016

Horsten, Silke von: Strukturelle Basis signalinduzierter Änderungen in Phytochrom B sowie der Phytochrom-assoziierten Proteinphosphatase PAPP5. , Uni Marburg, 2016

Barciszewski, J.; Wisniewski, J.; Kolodziejczyk, R.; Jaskolski, M.; Rakus, D.; Dzugaj, A.: T-to-R switch of muscle fructose-1,6-bisphosphatase involves fundamental changes of secondary and quaternary structure. , Acta Crystallographica Section D - Structural biology 72 (2016), p. 536-550
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Nagano, S.; Scheerer, P.; Zubow, K.; Michael, N.; Inomata, K.; Lamparter, T.; Krauss, N.: The Crystal Structures of the N-terminal Photosensory Core Module of Agrobacterium Phytochrome Agp1 as Parallel and Anti-parallel Dimers. , Journal of Biological Chemistry 291 (2016), p. 20674-20691
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Kiliszek, A.; Katarzyna Banaszak, K.; Dauter, Z.; Rypniewski, W.: The first crystal structures of RNA–PNA duplexes and a PNA-PNA duplex containing mismatches––toward anti-sense therapy against TREDs. , Nucleic Acids Research 44 (2016), p. 1937-1943
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Kiliszek, A.; Katarzyna Banaszak, K.; Dauter, Z.; Rypniewski, W.: The first crystal structures of RNA–PNA duplexes and a PNA-PNA duplex containing mismatches––toward anti-sense therapy against TREDs. , Nucleic Acids Research 44 (2016), p. 1937-1943
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Gerlach, M.; Müller, U.; Weiss, M.S.: The MX Beamlines BL14.1-3 at BESSY II. , Journal of Large Scale Research Facilities JLSRF 2 (2016), p. 2-47
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Müller, P.; Grünker, R.; Bon, V.; Pfeffermann, M.; Senkovska, I.; Weiss, M.S.; Feng, X.; Kaskel, S.: Topological control of 3,4-connected frameworks based on the Cu2-paddle-wheel node: tbo or pto, and why? , CrystEngComm 18 (2016), p. 8164-8171
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Bon, V.; Kavoosi, N.; Senkovska, I.; Müller, P.; Schaber, J.; Wallacher, D.; Többens, D.M.; Mueller, U.; Kaskel, S.: Tuning the flexibility in MOFs by SBU functionalization. , Dalton Transactions 45 (2016), p. 4407-4415
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Drozdzal, P.; Gilski, M.; Jaskolski, M.: Ultrahigh-resolution centrosymmetric crystal structure of Z-DNA reveals the massive presence of alternate conformations. , Acta Crystallographica Section D - Structural biology 72 (2016), p. 1203-1211
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Novakova, Z.; Wozniak, K.; Jancarik, A.; Rais, R.; Wu, Y.; Pavlicek, J.; Ferraris, D.; Havlinova, B.; Ptacek, J.; Vavra, J.; Hin, N.; Rojas, C.; Majer, P.; Slusher, B.S.; Tsukamoto, T.; Barinka, C.: Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity. , Journal of Medicinal Chemistry 59 (2016), p. 4539-4550
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Drache, F.; Bon, V.; Senkovska, I.; Adam, M.; Eychmüller, A.; Kaskel, S.: Vapochromic Luminescence of a Zirconium-Based Metal–Organic Framework for Sensing Applications. , European Journal of Inorganic Chemistry 2016 (2016), p. 4483-4489
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Rypniewski, W.; Banaszak, K.; Kulinski, T.; Kiliszek, A.: Watson-Crick-like pairs in CCUG repeats : evidence for tautomeric shifts or protonation. , RNA 22 (2016), p. 22-31
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Rypniewski, W.; Banaszak, K.; Kulinski, T.; Kiliszek, A.: Watson-Crick-like pairs in CCUG repeats : evidence for tautomeric shifts or protonation. , RNA 22 (2016), p. 22-31
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Sparta, K.; Krug, M.; Heinemann, U.; Mueller, U.; Weiss, M.S.: XDSAPP 2.0. , Journal of Applied Crystallography 49 (2016), p. 1085-1092
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Ganguly, T.; Dannoon, S.; Hopkins, M.R.; Murphy, S.; Cahaya, H.; Blecha, J.E.; Jivan, S.; Drake, C.R.; Barinka, C.; Jones, E.F.; VanBrocklin, H.F.; Berkman, C.E.: A high-affinity [18F]-labeled phosphoramidate peptidomimetic PSMA-targeted inhibitor for PET imaging of prostate cancer. , Nuclear Medicine and Biology 42 (2015), p. 780-787
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Dostal, J.; Pecina, A.; Hruskova-Heidingsfeldova, O.; Mareckova, L.; Pichova, I.; Rezacova, P.; Lepsik, M.; Brynda, J.: Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 2494-2504
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Buemi, M.R.; De Luca, L.; Ferro, S.; Bruno, E.; Ceruso, M.; Supuran, C.T.; Pospisilova, K.; Brynda, J.; Rezacova, P.; Gitto, R.: Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. , European Journal of Medicinal Chemistry 102 (2015), p. 223-232
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Schiefner, A.; Freier, R.; Eichinger, A.; Skerra, A.: Crystal structure of the human odorant binding protein, OBPIIa. , Proteins - Structure, Function and Bioinformatics 83 (2015), p. 1180-1184
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Han, Z.; Sakai, N.; Boettger, L.H.; Klinke, S.; Hauber, J.; Trautwein, A.X.; Hilgenfeld, R.: Crystal Structure of the Peroxo-diiron(III) Intermediate of Deoxyhypusine Hydroxylase, an Oxygenase Involved in Hypusination. , Structure 23 (2015), p. 882-892
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Stevens, Tammo: Crystallographic Investigations on the Photosensory Core Module of Agrobacterium tumefaciens Phytochrome 2 (Agp2). , Berlin, Freie Universität Berlin, Bachelor, 2015

Tykvart, J.; Schimer, J.; Jancarik, A.; Barinkova, J.; Navratil, V.; Starkova, J.; Sramkova, K.; Konvalinka, J.; Majer, P.; Sacha, P.: Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II. , Journal of Medicinal Chemistry 58 (2015), p. 4357-4363
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Sommer, B.; von Moeller, H.; Haack, M.; Qoura, F.; Langner, C.; Bourenkov, G.; Garbe, D.; Loll, B.; Bruck, T.: Detailed Structure-Function Correlations of Bacillus subtilis Acetolactate Synthase. , ChemBioChem 16 (2015), p. 110-118
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Bon, V.; Klein, N.; Senkovska, I.; Heerwig, A.; Getzschmann, J.; Wallacher, D.; Zizak, I.; Brzhezinskaya, M.; Müller, U.; Kaskel, S.: Exceptional adsorption-induced cluster and network deformation in the flexible metal–organic framework DUT-8(Ni) observed by in situ X-ray diffraction and EXAFS. , Physical Chemistry Chemical Physics 17 (2015), p. 17471-17479
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Ye, S.; Loll, B.; Berger, A.A.; Mulow, U.; Alings, C.; Wahl, M.C.; Koksch, B.: Fluorine teams up with water to restore inhibitor activity to mutant BPTI. , Chemical Science 6 (2015), p. 5246-5254
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Gorgel, M.; Ulstrup, J.J.; Boggild, A.; Jones, N.C.; Hoffmann, S.V.; Nissen, P.; Boesen, T.: High-Resolution Structure of a Type Iv Pilin from the Metal- Reducing Bacterium Shewanella Oneidensis. , BMC Structural Biology 15 (2015), p. 4
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Stefek, M.; Soltesova Prnova, M.; Majekova, M.; Rechlin, C.; Heine, A.; Klebe, G.: Identification of Novel Aldose Reductase Inhibitors Based on Carboxymethylated Mercaptotriazinoindole Scaffold. , Journal of Medicinal Chemistry 58 (2015), p. 2649-2657
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Pachl, P.; Fabry, M.; Veverka, V.; Brynda, J.; Rezacova, P.: Kinetic and structural characterization of an alternatively spliced variant of human mitochondrial 5'(3')-deoxyribonucleotidase. , Journal of Enzyme Inhibition and Medicinal Chemistry 30 (2015), p. 63-68
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Cau, Y.; Fiorillo, A.; Mori, M.; Ilari, A.; Botta, M.; Lalle, M.: Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions. , Journal of Chemical Information and Modeling 55 (2015), p. 2611-2622
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Mueller, P.; Wisser, F.M.; Bon, V.; Gruenker, R.; Senkovska, I.; Kaskel, S.: Postsynthetic Paddle-Wheel Cross-Linking and Functionalization of 1,3-Phenylenebis(azanetriyl)tetrabenzoate-Based MOFs. , Chemistry of Materials 27 (2015), p. 2460-2467
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Muhammad, K.; Reddy-Alla, S.; Driller, J.H.; Schreiner, D.; Rey, U.; Böhme, M.A.; Hollmann, C.; Ramesh, N.; Depner, H.; Lützkendorf, J.; Matkovic, T.; Götz, T.; Bergeron, D.D.; Schmoranzer, J.; Goettfert, F.; Holt, M.; Wahl, M.C.; Hell, S.W.; Scheiffele, P.; Walter, A.M.; Loll, B.; Sigrist, S.J.: Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function. , Nature Communications 6 (2015), p. 8362/1-15
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Kohlmann, F.; Shima, K.; Rupp, J.; Solbach, W.; Hilgenfeld, R.; Hansen, G.: Production, crystallization and X-ray diffraction analysis of the protease CT441 from Chlamydia trachomatis. , Acta Crystallographica Section F - Structural Biology Communications 71 (2015), p. 1454-1458
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Barandun, L.J.; Ehrmann, F.R.; Zimmerli, D.; Immekus, F.; Giroud, M.; Gruenenfelder, C.; Schweizer, W.B.; Bernet, B.; Betz, M.; Heine, A.; Klebe, G.; Diederich, F.: Replacement of water molecules in a phosphate binding site by furanoside-appended lin-benzoguanine ligands of tRNA-guanine transglycosylase (TGT). , Chemistry - A European Journal 21 (2015), p. 126-135
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Krossa, Sebastian: Structural and Biophysical Characterization of the Bacterial Homospermidine Synthase from Blastochloris viridis to Provide Insights into Substrate Recognition and Reaction Mechanism. , Kiel, Christian-Albrechts-Universität zu Kiel, Diss., 2015

Machova, I.; Snasel, J.; Dostal, J.; Brynda, J.; Fanfrlik, J.; Singh, M.; Tarabek, J.; Vanek, O.; Bednarova, L.; Pichova, I.: Structural and Functional Studies of Phosphoenolpyruvate Carboxykinase from Mycobacterium tuberculosis. , PLoS One 10 (2015), p. UNSP e0120682/1-21
doi: 10.1371/journal.pone.0120682

Weiss, S.C.; Skerra, A.; Schiefner, A.: Structural Basis for the Interconversion of Maltodextrins by MalQ, the Amylomaltase of Escherichia coli. , Journal of Biological Chemistry 290 (2015), p. 21352-21364
doi: 10.1074/jbc.M115.667337

Kohlmann, F.; Shima, K.; Hilgenfeld, R.; Solbach, W.; Rupp, J.; Hansen, G.: Structural Basis of the Proteolytic and Chaperone Activity of Chlamydia trachomatis CT441. , Journal of Bacteriology 197 (2015), p. 211-218
doi: 10.1128/JB.02140-14

Houser, J.; Komarek, J.; Cioci, G.; Varrot, A.; Imberty, A.; Wimmerova, M.: Structural insights into Aspergillus fumigatus lectin specificity: AFL binding sites are functionally non-equivalent. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 442-453
doi: 10.1107/S1399004714026595

Han, Zhenggang: Structural studies of hypusination. , Lübeck, Universität, Diss., 2015

Chatterjee, D.; Kudlinzki, D.; Linhard, V.; Saxena, K.; Schieborr, U.; Gande, S.L.; Wurm, J.P.; Woehnert, J.; Abele, R.; Rogov, V.V.; Doetsch, V.; Osiewacz, H.D.; Sreeramulu, S.; Schwalbe, H.: Structure and Biophysical Characterization of the S-Adenosylmethionine-dependent O-Methyltransferase PaMTH1, a Putative Enzyme Accumulating during Senescence of Podospora anserina. , Journal of Biological Chemistry 290 (2015), p. 16415-16430
doi: 10.1074/jbc.M115.660829

Knipp, M.; Ogata, H.; Soavi, G.; Cerullo, G.; Allegri, A.; Abbruzzetti, S.; Bruno, S.; Viappiani, C.; Bidon-Chanal, A.; Luque, F.J.: Structure and dynamics of the membrane attaching nitric oxide transporter nitrophorin 7. , F1000Research 4 (2015), p. 45/1-28
doi: 10.12688/f1000research.6060.2

Czubinski, J.; Barciszewski, J.; Gilski, M.; Szpotkowski, K.; Debski, J.; Lampart-Szczapa, E.; Jaskolski, M.: Structure of gamma-conglutin: insight into the quaternary structure of 7S basic globulins from legumes. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 224-238
doi: 10.1107/S1399004714025073

Czubinski, J.; Barciszewski, J.; Gilski, M.; Szpotkowski, K.; Debski, J.; Lampart-Szczapa, E.; Jaskolski, M.: Structure of gamma-conglutin: insight into the quaternary structure of 7S basic globulins from legumes. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 224-238
doi: 10.1107/S1399004714025073

Sohmen, Daniel: Structure of the Bacillus subtilis 70S ribosome reveals the basis for species-specific stalling. , LMU München, 2015

Pachl, P.; Simak, O.; Rezacova, P.; Fabry, M.; Budesinsky, M.; Rosenberg, I.; Brynda, J.: Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor. , MedChemComm 6 (2015), p. 1635-1638
doi: 10.1039/c5md00235d

Hebecker, S.; Krausze, J.; Hasenkampf, T.; Schneider, J.; Groenewold, M.; Reichelt, J.; Jahn, D.; Heinz, D.W.; Moser, J.: Structures of two bacterial resistance factors mediating tRNA-dependent aminoacylation of phosphatidylglycerol with lysine or alanine. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 112 (2015), p. 10691-10696
doi: 10.1073/pnas.1511167112

Kohlmann, Friedrich: Strukturelle und funktionelle Charakterisierung der Protease CT441 aus Chlamydia trachomatis. , Lübeck, Universität, Diss., 2015

Rühmann, Eggert Henning: Strukturelle und thermodynamische Charakterisierung der Fragment und Liganden Bindung an Thrombin. , Uni Marburg, 2015

Scheerer, P.; Zhang, F.; Kalms, J.; von Stetten, D.; Krauss, N.; Oberpichler, I.; Lamparter, T.: The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways. , Journal of Biological Chemistry 290 (2015), p. 11504-11514
doi: 10.1074/jbc.M115.637868

Loedige, I.; Jakob, L.; Treiber, T.; Ray, D.; Stotz, M.; Treiber, N.; Hennig, J.; Cook, K.B.; Morris, Q.; Hughes, T.R.; Engelmann, J.C.; Krahn, M.P.; Meister, G.: The Crystal Structure of the NHL Domain in Complex with RNA Reveals the Molecular Basis of Drosophila Brain-Tumor-Mediated Gene Regulation. , Cell Reports 13 (2015), p. 1206-1220
doi: 10.1016/j.celrep.2015.09.068

Gumz, F.; Krausze, J.; Eisenschmidt, D.; Backenkoehler, A.; Barleben, L.; Brandt, W.; Wittstock, U.: The crystal structure of the thiocyanate-forming protein from Thlaspi arvense, a kelch protein involved in glucosinolate breakdown. , Plant Molecular Biology 89 (2015), p. 67-81
doi: 10.1007/s11103-015-0351-9

Schiefner, A.; Rodewald, F.; Neumaier, I.; Skerra, A.: The dimeric crystal structure of the human fertility lipocalin glycodelin reveals a protein scaffold for the presentation of complex glycans. , Biochemical Journal 466 (2015), p. 95-104
doi: 10.1042/BJ20141003

Mueller, U.; Förster, R.; Hellmig, M.; Huschmann, F.U.; Kastner, A.; Malecki, P.; Pühringer, S.; Röwer, M.; Sparta, K.; Steffien, M.; Ühlein, M.; Wilk, P.; Weiss, M.S.: The macromolecular crystallography beamlines at BESSY II of the Helmholtz-Zentrum Berlin: Current status and perspectives. , The European Physical Journal Plus : EPJ Plus 130 (2015), p. 141/1-10
doi: 10.1140/epjp/i2015-15141-2

De, I.; Bessonov, S.; Hofele, R.; Dos Santos, K.; Will, C.L.; Urlaub, H.; Lührmann, R.; Pena, V.: The RNA helicase Aquarius exhibits structural adaptations mediating its recruitment to spliceosomes. , Nature Structural & Molecular Biology 22 (2015), p. 138-144
doi: 10.1038/nsmb.2951

Anufrieva, N.V.; Faleev, N.G.; Morozova, E.A.; Bazhulina, N.P.; Revtovich, S.V.; Timofeev, V.P.; Tkachev, Y.V.; Nikulin, A.D.; Demidkina, T.V.: The role of active site tyrosine 58 in Citrobacter freundii methionine gamma-lyase. , Biochimica et Biophysica Acta - Proteins and Proteomics 1854 (2015), p. 1220-1228
doi: 10.1016/j.bbapap.2014.12.027

Kuhnert, M.; Koester, H.; Bartholomaeus, R.; Park, A.Y.; Shahim, A.; Heine, A.; Steuber, H.; Klebe, G.; Diederich, W.E.: Tracing Binding Modes in Hit-to-Lead Optimization: Chameleon-Like Poses of Aspartic Protease Inhibitors. , Angewandte Chemie - International Edition 54 (2015), p. 2849-2853
doi: 10.1002/anie.201411206

Schimer, J.; Pavova, M.; Anders, M.; Pachl, P.; Sacha, P.; Cigler, P.; Weber, J.; Majer, P.; Rezacova, P.; Kraeusslich, H.-G.; Mueller, B.; Konvalinka, J.: Triggering HIV polyprotein processing by light using rapid photodegradation of a tight-binding protease inhibitor. , Nature Communications 6 (2015), p. 6461/1-6
doi: 10.1038/ncomms7461

Plonska-Brzezinska, M.E.; Bobrowska, D.M.; Sharma, A.; Rodziewicz, P.; Tomczyk, M.; Czyrko, J.; Brzezinski, K.: Triple helical collagen-like peptide interactions with selected polyphenolic compounds. , RSC Advances 5 (2015), p. 95443–95453
doi: 10.1039/c5ra15469c

Behrmann, Heide: Untersuchungen zur Struktur und Funktion der class C Vps Tethering-Komplexe HOPS und CORVET. , Berlin, Freie Universität Berlin, Diss., 2015

Jakobi, S.; Nguyen, P.T.; Debaene, F.; Cianferani, S.; Reuter, K.; Klebe, G.: What Glues a Homodimer Together: Systematic Analysis of the Stabilizing Effect of an Aromatic Hot Spot in the Protein-Protein Interface of the tRNA-Modifying Enzyme Tgt. , ACS Chemical Biology 10 (2015), p. 1897-1907
doi: 10.1021/acschembio.5b00028

2014

Grünker, R.; Bon, V.; Müller, P.; Stoeck, U.; Krause, S.; Müller, U.; Senkovska, I.; Kaskel, S.: A new metal-organic framework with ultra-high surface area. , Chemical Communications 50 (2014), p. 3450-3452
doi: 10.1039/c4cc00113c

Jílková, A.; Horn, M.; Rezacová, P.; Marešová, L.; Fajtová, P.; Brynda, J.; Vondrášek, J.; McKerrow, J.H.; Caffrey, C.R.; Mareš, M.: Activation Route of the Schistosoma mansoni Cathepsin B1 Drug Target: Structural Map with a Glycosaminoglycan Switch. , Structure 12 (2014), p. 1786-1798
doi: 10.1016/j.str.2014.09.015

Morozova, E.A.; Revtovich, S.V.; Anufrieva, N.V.; Kulikova, V.V.; Nikulin, A.D.; Demidkina, T.V.: Alliin is a suicide substrate of Citrobacter freundii methionine gamma-lyase: structural bases of inactivation of the enzyme. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 3034-3042
doi: 10.1107/S1399004714020938

Neeb, M.; Betz, M.; Heine, A.; Barandun, L.J.; Hohn, C.; Diederich, F.; Klebe, G.: Beyond Affinity: Enthalpy-Entropy Factorization Unravels Complexity of a Flat Structure-Activity Relationship for Inhibition of a tRNA-Modifying Enzyme. , Journal of Medicinal Chemistry 57 (2014), p. 5566-5578
doi: 10.1021/jm5006868

Stsiapanava, A.; Olsson, U.; Wan, M.; Kleinschmidt, T.; Rutishauser, D.; Zubarev, R.A.; Samuelsson, B.; Rinaldo-Matthis, A.; Haeggström, J.Z.: Binding of Pro-Gly-Pro at the active site of leukotriene A(4) hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 111 (2014), p. 4227-4232
doi: 10.1073/pnas.1402136111

Götzl, Sebastian: Biochemische und strukturelle Untersuchungen an Proteinen des reduktiven Acetyl-CoA-Weges. , Berlin, Humboldt Universität, Diss., 2014

Mader, P.; Pecina, A.; Cigler, P.; Lepsik, M.; Sicha, V.; Hobza, P.; Grüner, B.; Fanfrlik, J.; Brynda, J.; Rezacova, P.: Carborane-Based Carbonic Anhydrase Inhibitors: Insight into CAII/CAIX Specificity from a High-Resolution Crystal Structure, Modeling, and Quantum Chemical Calculations. , Biomed Research International 2014 (2014), p. 389869/1-9
doi: 10.1155/2014/389869

Neeb, M.; Czodrowski, P.; Heine, A.; Barandun, L.J.; Hohn, C.; Diederich, F.; Klebe, G.: Chasing Protons: How Isothermal Titration Calorimetry, Mutagenesis, and pKa Calculations Trace the Locus of Charge in Ligand Binding to a tRNA-Binding Enzyme. , Journal of Medicinal Chemistry 57 (2014), p. 5554-5565
doi: 10.1021/jm500401x

Simak, O.; Pachl, P.; Fabry, M.; Budesinsky, M.; Jandusik, T.; Hnizda, A.; Sklenickova, R.; Petrova, M.; Veverka, V.; Rezacova, P.; Brynda, J.; Rosenberg, I.: Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases. , Organic & Biomolecular Chemistry 12 (2014), p. 7971-7982
doi: 10.1039/c4ob01332h

Szczepek, M.; Beyriere, F.; Hofmann, K.P.; Elgeti, M.; Kazmin, R.; Rose, A.; Bartl, F.J.; von Stetten, D.; Heck, M.; Sommer, M.E.; Hildebrand, P.W.; Scheerer, P.: Crystal structure of a common GPCR-binding interface for G protein and arrestin. , Nature Communications 5 (2014), p. 4801/1-8
doi: 10.1038/ncomms5801

Pietrzyk, A.J.; Bujacz, A.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: Crystal Structure of Bombyx mori Lipoprotein 6: Comparative Structural Analysis of the 30-kDa Lipoprotein Family. , PLoS One 9 (2014), p. e108761/1-10
doi: 10.1371/journal.pone.0108761

Zebisch, M.; Baqi, Y.; Schäfer, P.; Müller, C.E.; Sträter, N.: Crystal structure of NTPDase2 in complex with the sulfoanthraquinone inhibitor PSB-071. , Journal of Structural Biology 185 (2014), p. 336-341
doi: 10.1016/j.jsb.2014.01.005

Sabala, I.; Jagielska, E.; Bardelang, P.T.; Czapinska, H.; Dahms, S.O.; Sharpe, J.A.; James, R.; Than, M.E.; Thomas, N.R.; Bochtler, M.: Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans. , FEBS Journal 281 (2014), p. 4112-4122
doi: 10.1111/febs.12929

Mietus, M.; Nowak, E.; Jaciuk, M.; Kustosz, P.; Studnicka, J.; Nowotny, M.: Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding. , Nucleic Acids Research 42 (2014), p. 10762-10775
doi: 10.1093/nar/gku729

Malecki, P.H.; Vorgias, C.E.; Petoukhov, M.V.; Svergun, D.I.; Rypniewski, W.: Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 676-684
doi: 10.1107/S1399004713032264

Lahoda, M.; Mesters, J.R.; Stsiapanava, A.; Chaloupkova, R.; Kuty, M.; Damborsky, J.; Smatanova, I.K.: Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 209-217
doi: 10.1107/S1399004713026254

Havemann, J.; Vogel, D.; Loll, B.; Keller, U.: Cyclolization of d-lysergic Acid alkaloid peptides. , Chemistry & Biology 21 (2014), p. 146-155
doi: 10.1016/j.chembiol.2013.11.008

Zatwarnicki, P.; Barciszewski, J.; Krzywda, S.; Jaskolski, M.; Kolesinski, P.; Szczepaniak, A.: Cytochrome c6B of Synechococcus sp WH 8102 - crystal structure and basic properties of novel c6-like family representative. , Biochemical and Biophysical Research Communications 443 (2014), p. 1131-1135
doi: 10.1016/j.bbrc.2013.10.167

Murina, V.N.; Melnik, B.S.; Filimonov, V.V.; Ühlein, M.; Weiss, M.S.; Müller, U.; Nikulin, A.D.: Effect of conserved intersubunit amino acid substitutions on Hfq protein structure and stability. , Biochemistry (Moscow) = Biokhimiya 79 (2014), p. 469-477
doi: 10.1134/S0006297914050113

Ghalei, H.; Moeller, H.v.; Eppers, D.; Sohmen, D.; Wilson, D.N.; Loll, B.; Wahl, M.C.: Entrapment of DNA in an intersubunit tunnel system of a single-stranded DNA-binding protein. , Nucleic Acids Research 42 (2014), p. 6698-6708
doi: 10.1093/nar/gku259

Yang, S.; Wei, T.; Kemnitz, E.; Troyanov, S.I.: First Isomers of Pristine C104 Fullerene Structurally Confirmed as Chlorides, C104(258)Cl16 and C104(812)Cl24. , Chemistry - An Asian Journal 9 (2014), p. 79-82
doi: 10.1002/asia.201301230

Heine, A.; Herrmann, G.; Selmer, T.; Terwesten, F.; Buckel, W.; Reuter, K.: High resolution crystal structure of Clostridium propionicum β-alanyl-CoA:ammonia lyase, a new member of the "hot dog fold" protein superfamily. , Proteins - Structure, Function and Bioinformatics 82 (2014), p. 2041-2053
doi: 10.1002/prot.24557

Bon, V.; Sekovska, I.; Wallacher, D.; Többens, D.; Zizak, I.; Feyerherm, R.; Mueller, U.; Kaskel, S.: In Situ Observation of Gating Phenomena in the Flexible Porous Coordination Polymer Zn2(BPnDC)2(bpy) (SNU-9) in a Combined Diffraction and Gas Adsorption Experiment. , Inorganic Chemistry 53 (2014), p. 1513-1520
doi: 10.1021/ic4024844

Krimmer, S.G.; Betz, M.; Heine, A.; Klebe, G.: Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. , ChemMedChem 9 (2014), p. 833-846
doi: 10.1002/cmdc.201400013

Bejger, M.; Imiolczyk, B.; Clavel, D.; Gilski, M.; Pajak, A.; Marsolais, F.; Jaskolski, M.: Na+/K+ exchange switches the catalytic apparatus of potassium-dependent plant L-asparaginase. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1854-1872
doi: 10.1107/S1399004714008700

Handke, M.; Weber, H.; Lange, M.; Möllmer, J.; Lincke, J.; Gläser, R.; Staudt, R.; Krautscheid, H.: Network Flexibility: Control of Gate Opening in an Isostructural Series of Ag-MOFs by Linker Substitution. , Inorganic Chemistry 53 (2014), p. 7599-7607
doi: 10.1021/ic500908r

Stoeck, Ulrich: Neue, poröse metallorganische Gerüstverbindungen und organometallische Koordinationspolymere : Darstellung, Charakterisierung und Evaluierung ihres Potentials für die Gasspeicherung und Katalyse. , Dresden, Technische Universität Dresden, Diss., 2014

Piasta, A.M.; Jastrzebska, A.; Krzeminski, M.P.; Muziol, T.M.; Szlyk, E.: New procedure of selected biogenic amines determination in wine samples by HPLC. , Analytica Chimica Acta 834 (2014), p. 58-66
doi: 10.1016/j.aca.2014.05.028

Sakai, F.; Yang, G.; Weiss, M.S.; Liu, Y.; Chen, G.; Jiang, M.: Protein crystalline frameworks with controllable interpenetration directed by dual supramolecular interactions. , Nature Communications 5 (2014), p. 4634/1-8
doi: 10.1038/ncomms5634

Tykvart, J.; Schimer, J.; Barinkova, J.; Pachl, P.; Postova-Slavetinska, L.; Majer, P.; Konvalinka, J.; Sacha, P.: Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. , Bioorganic & Medicinal Chemistry 22 (2014), p. 4099-4108
doi: 10.1016/j.bmc.2014.05.061

Ruszkowski, M.; Sliwiak, J.; Ciesielska, A.; Barciszewski, J.; Sikorski, M.; Jaskolski, M.: Specific binding of gibberellic acid by Cytokinin-Specific Binding Proteins: a new aspect of plant hormone-binding proteins with the PR-10 fold. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 2032-2041
doi: 10.1107/S1399004714010578

Chaloupkova, R.; Prudnikova, T.; Rezacova, P.; Prokop, Z.; Koudelakova, T.; Daniel, L.; Brezovsky, J.; Ikeda-Ohtsubo, W.; Sato, Y.; Kuty, M.; Nagata, Y.; Smatanova, I.K.; Damborsky, J.: Structural and Functional Analysis of Novel Haloalkane Dehalogenase with Two Halide-Binding Sites. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1884-1897
doi: 10.1107/S1399004714009018

Snasel, J.; Naus, P.; Dostal, J.; Hnizda, A.; Fanfrlik, J.; Brynda, J.; Bourderioux, A.; Dusek, M.; Dvorakova, H.; Stolarikova, J.; Zabranska, H.; Pohl, R.; Konecny, P.; Dzubak, P.; Votruba, I.; Hajduch, M.; Rezacova, P.; Veverka, V.; Hocek, M.; Pichova, I.: Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides. , Journal of Medicinal Chemistry 57 (2014), p. 8268-8279
doi: 10.1021/jm500497v

Behrmann, H.; Lürick, A.; Kuhlee, A.; Kleine Balderhaar, H.; Bröcker, C.; Kümmel, D.; Engelbrecht-Vandré, S.; Gohlke, U.; Raunser, S.; Heinemann, U.; Ungermann, C.: Structural identification of the Vps18 β-propeller reveals a critical role in the HOPS complex stability and function. , Journal of Biological Chemistry 289 (2014), p. 33503-33512
doi: 10.1074/jbc.M114.602714

Skerlova, J.; Fabry, M.; Hubalek, M.; Otwinowski, Z.; Rezacova, P.: Structure of the effector-binding domain of deoxyribonucleoside regulator DeoR from Bacillus subtilis. , FEBS Journal 281 (2014), p. 4280-4292
doi: 10.1111/febs.12856

Mondal, M.; Radeva, N.; Koster, H.; Park, A.; Potamitis, C.; Zervou, M.; Klebe, G.; Hirsch, A.K.: Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry. , Angewandte Chemie - International Edition 53 (2014), p. 3259-3263
doi: 10.1002/anie.201309682

Eggenstein, E.; Eichinger, A.; Kim, H.-J.; Skerra, A.: Structure-guided engineering of Anticalins with improved binding behavior and biochemical characteristics for application in radio-immuno imaging and/or therapy. , Journal of Structural Biology 185 (2014), p. 203-214
doi: 10.1016/j.jsb.2013.03.009

Pachl, P.; Fabry, M.; Rosenberg, I.; Simak, O.; Rezacova, P.; Brynda, J.: Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 461-470
doi: 10.1107/S1399004713030502

Zebisch, M.; Krauss, M.; Schäfer, P.; Sträter, N.: Structures of Legionella pneumophila NTPDase1 in complex with polyoxometallates. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1147-1154
doi: 10.1107/S1399004714001916

Bujacz, A.; Zielinski, K.; Sekula, B.: Strucural studies of bovine, equine, and leporine serum albumin complexes with naproxen. , Proteins - Structure, Function and Bioinformatics 82 (2014), p. 2199-2208
doi: 10.1002/prot.24583

Uhlmann, Stefanie: Studien zur α- und β-Hydroxylierung des Cyclodepsipeptides Skyllamycin aus Streptomyces sp. Acta 2897. , Berlin, Technische Universität, Diss., 2014

Haufschildt, K.; Schmelz, S.; Kriegler, T.M.; Neumann, A.; Streif, J.; Arai, H.; Heinz, D.W.; Layer, G.: The Crystal Structure of Siroheme Decarboxylase in Complex with Iron-Uroporphyrin III Reveals Two Essential Histidine Residues. , Journal of Molecular Biology : jmb 426 (2014), p. 3272-3286
doi: 10.1016/j.jmb.2014.07.021

Baumlova, A.; Chalupska, D.; Rozycki, B.; Jovic, M.; Wisniewski, E.; Klima, M.; Dubankova, A.; Kloer, D.P.; Nencka, R.; Balla, T.; Boura, E.: The crystal structure of the phosphatidylinositol 4-kinase II alpha. , EMBO Reports 15 (2014), p. 1085-1092
doi: 10.15252/embr.201438841

Biela, Inna: Untersuchung der Substratspezifität der tRNA-Guanin-Transglykosylase (TGT) aus Eukaryoten und Prokaryoten und Charakterisierung der eukaryotischen TGT. , Marburg, Philipps-Universität, Diss., 2014

Demo, G.; Papouskova, V.; Komarek, J.; Kaderavek, P.; Otrusinova, O.; Srb, P.; Rabatinova, A.; Krasny, L.; Zidek, L.; Sklenar, V.; Wimmerova, M.: X-ray vs. NMR structure of N-terminal domain of δ-subunit of RNA polymerase. , Journal of Structural Biology 187 (2014), p. 174-186
doi: 10.1016/j.jsb.2014.06.001

2013

Kishko, I.; Carey, J.; Reha, D.; Brynda, J.; Winkler, R.; Harish, B.; Guerra, R.; Ettrichova, O.; Kukacka, Z.; Sheryemyetyeva, O.; Novak, P.; Kuty, M.; Smatanova, I.K.; Ettrich, R.; Lapkouski, M.: 1.2 angstrom resolution crystal structure of Escherichia coli WrbA holoprotein. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 1748-1757
doi: 10.1107/S0907444913017162

Barden, S.; Lange, S.; Tegtmeyer, N.; Conradi, J.; Sewald, N.; Backert, S.; Niemann, H.H.: A Helical RGD Motif Promoting Cell Adhesion: Crystal Structures of the Helicobacter Pylori Type IV Secretion System Pilus Protein CagL. , Structure 21 (2013), p. 1931-1941
doi: 10.1016/j.str.2013.08.018

Sommer, Bettina I.: A new synthetic biology methodology for the cell-free production of industrial alcohols. , München, Technische Universität München, Diss., 2013

Hellert, J.; Weidner-Glunde, M.; Krausze, J.; Richter, U.; Adler, H.; Fedorov, R.; Pietrek, M.; Rückert, J.; Ritter, C.; Schulz, T.F.; Lührs, T.: A structural basis for BRD2/4-mediated host chromatin interaction and oligomer assembly of Kaposi sarcoma-associated herpesvirus and murine gammaherpesvirus LANA proteins. , PLoS Pathogens 9 (2013), p. e1003640/1-19
doi: 10.1371/journal.ppat.1003640

Bartasun, P.; Cieslinski, H.; Bujacz, A.; Wierzbicka-Wos, A.; Kur, J.: A Study on the Interaction of Rhodamine B with Methylthioadenosine Phosphorylase Protein Sourced from an Antarctic Soil Metagenomic Library. , PLoS One 8 (2013), p. e55697/1-11
doi: 10.1371/journal.pone.0055697

Wagner, Stephan: Analysing Novel Structures of Protein Complexes Requiring the Central Plant Immune Regulator EDS1. , Köln, Universität, Diss., 2013

Steigemann, Birthe; Schulz, Annina; Werten, Sebastiaan: Bacteriophage T5 Encodes a Homolog of the Eukaryotic Transcription Coactivator PC4 Implicated in Recombination-Dependent DNA Replication. , Journal of Molecular Biology : jmb 425 (2013), p. 4125-4133
doi: 10.1016/j.jmb.2013.09.001

Brynda, J.; Mader, P.; Sicha, V.; Fabry, M.; Poncova, K.; Bakardiev, M.; Gruner, B.; Cigler, P.; Rezacova, P.: Carborane-based carbonic anhydrase inhibitors. , Angewandte Chemie - International Edition 52 (2013), p. 13760-13763
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Degtjarik, O.; Dopitova, R.; Puehringer, S.; Nejedla, E.; Kuty, M.; Weiss, M.S.; Hejatko, J.; Janda, L.; Smatanova, I.K.: Cloning, expression, purification, crystallization and preliminary X-ray diffraction analysis of AHP2, a signal transmitter protein from Arabidopsis thaliana. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 158-161
doi: 10.1107/S174430911205186X

Gebauer, M.; Schiefner, A.; Matschiner, G.; Skerra, A.: Combinatorial Design of an Anticalin Directed against the Extra-Domain B for the Specific Targeting of Oncofetal Fibronectin. , Journal of Molecular Biology : jmb 425 (2013), p. 780-802
doi: 10.1016/j.jmb.2012.12.004

Nayeem, N.; Mayans, O.; Green, T.: Correlating Efficacy and Desensitization with GluK2 Ligand-Binding Domain Movements. , Open Biology 3 (2013), p. 130051/1-12
doi: 10.1098/rsob.130051

Roth, C.; Gröning, J.A.D.; Kaschabek, S.R.; Schlömann, M.; Sträter, N.: Crystal structure and catalytic mechanism of chloromuconolactone dehalogenase ClcF from Rhodococcus opacus 1CP. , Molecular Microbiology 88 (2013), p. 254-267
doi: 10.1111/mmi.12182

Zhang, F.; Scheerer, P.; Oberpichler, I.; Lamparter, T.; Krauss, N.: Crystal structure of a prokaryotic (6-4) photolyase with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 110 (2013), p. 7217-7222
doi: 10.1073/pnas.1302377110

Kim, Y.J.; Hofmann, K.P.; Ernst, O.P.; Scheerer, P.; Choe, H.-W.; Sommer, M.E.: Crystal structure of pre-activated arrestin p44. , Nature 497 (2013), p. 142-146
doi: 10.1038/nature12133

Demo, G.; Fliedrova, B.; Weignerova, L.; Wimmerova, M.: Crystallization and preliminary X-ray crystallographic analysis of recombinant β-mannosidase from Aspergillus niger. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 288-291
doi: 10.1107/S1744309113002522

Pisackova, J; Prochazkova, K; Fabry, M; Rezacova, P: Crystallization of the Effector-Binding Domain of Repressor DeoR from Bacillus subtilis. , Crystal Growth & Design 13 (2013), p. 844-848
doi: 10.1021/cg301551v

Lerchner, A.; Jarasch, A.; Meining, W.; Schiefner, A.; Skerra, A.: Crystallographic analysis and structure-guided engineering of NADPH-dependent Ralstonia sp. alcohol dehydrogenase toward NADH cosubstrate specificity. , Biotechnology and Bioengineering 110 (2013), p. 2803-2814
doi: 10.1002/bit.24956

Tratsiak, K.; Degtjarik, O.; Drienovska, I.; Chrast, L.; Rezacova, P.; Kuty, M.; Chaloupkova, R.; Damborsky, J.; Smatanova, I.K: Crystallographic analysis of new psychrophilic haloalkane dehalogenases: DpcA from Psychrobacter cryohalolentis K5 and DmxA from Marinobacter sp ELB17. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 683-688
doi: 10.1107/S1744309113012979

Zebisch, M.; Krauss, M.; Schäfer, P.; Lauble, P.; Sträter, N.: Crystallographic Snapshots along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases. , Structure 21 (2013), p. 1460-1475
doi: 10.1016/j.str.2013.05.016

Sekula, B.; Zielinski, K.; Bujacz, A.: Crystallographic studies of the complexes of bovine and equine serum albumin with 3,5-diiodosalicylic acid. , International Journal of Biological Macromolecules 60 (2013), p. 316 - 324
doi: 10.1016/j.ijbiomac.2013.06.004

Hammamy, M.Z.; Haase, C.; Hammami, M.; Hilgenfeld, R.; Steinmetzer, T.: Development and Characterization of New Peptidomimetic Inhibitors of the West Nile Virus NS2B-NS3 Protease. , ChemMedChem 8 (2013), p. 231-241
doi: 10.1002/cmdc.201200497

Biela, A.; Nasief, N.N.; Betz, M.; Heine, A.; Hangauer, D.; Klebe, G.: Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin. , Angewandte Chemie - International Edition 52 (2013), p. 1822 - 1828
doi: 10.1002/anie.201208561

Qureshi, B.M.; Hofmann, N.E.; Arroyo-Olarte, R.D.; Nickl, B.; Hoehne, W.; Jungblut, P.R.; Lucius, R.; Scheerer, P.; Gupta, N.: Dynein light chain 8a of Toxoplasma gondii, a unique conoid-localized β-strand-swapped homodimer, is required for an efficient parasite growth. , The FASEB Journal 27 (2013), p. 1034-1047
doi: 10.1096/fj.11-180992

Koudelakova, T.; Chaloupkova, R.; Brezovsky, J.; Prokop, Z.; Sebestova, E.; Hesseler, M.; Khabiri, M.; Plevaka, M.; Kulik, D.; Kuta Smatanova, I.; Rezacova, P.; Ettrich, R.; Bornscheuer, U.T.; Damborsky, J.: Engineering enzyme stability and resistance to an organic cosolvent by modification of residues in the access tunnel. , Angewandte Chemie - International Edition 52 (2013), p. 1959 - 1963
doi: 10.1002/anie.201206708

Plazuk, D.; Zakrzewski, J.; Salmain, M.; Blauz, A.; Rychlik, B.; Strzelczyk, P.; Bujacz, A.; Bujacz, G.: Ferrocene-Biotin Conjugates Targeting Cancer Cells: Synthesis, Interaction with Avidin, Cytotoxic Properties and the Crystal Structure of the Complex of Avidin with a Biotin-Linker-Ferrocene Conjugate. , Organometallics 32 (2013), p. 5774-5783
doi: 10.1021/om4003126

Kettner, K.; Kuettner, E.B.; Otto, A.; Lilie, H.; Golbik, R.P.; Sträter, N.; Kriegel, T.M.: In vivo phosphorylation and in vitro autophosphorylation-inactivation of Kluyveromyces lactis hexokinase KlHxk1. , Biochemical and Biophysical Research Communications 435 (2013), p. 313-318
doi: 10.1016/j.bbrc.2013.03.121

Chang, Kai-Chin: Investigation of higher fullerenes : trifluoromethylated derivatives of C84 cage isomers. , Berlin, Humboldt Universität, Diss., 2013

Biela, I.; Tidten-Luksch, N.; Immekus, F.; Glinca, S.; Nguyen, T.X.P.; Gerber, H.-D.; Heine, A.; Klebe, G.; Reuter, K.: Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. , PLoS One 8 (2013), p. e64240/1-19
doi: 10.1371/journal.pone.0064240

Dahms, S.O.; Kuester, M.; Streb, C.; Roth, C.; Sträter, N.; Than, M.E.: Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 284-297
doi: 10.1107/S0907444912046008

Zebisch, M.; Schaefer, P.; Lauble, P.; Straeter, N.: New crystal forms of NTPDase1 from the bacterium Legionella pneumophila. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 257-262
doi: 10.1107/S1744309113001504

Jakobi, Stephan: Nichtkompetitive Inhibition der tRNA-Guanin Transglycosylase durch Störung der essentiellen Protein-Protein-Interaktion. , Uni Marburg, 2013

Volkers, G.; Damas, J.M.; Palm, G.J.; Panjikar, S.; Soares, C.M.; Hinrichs, W.: Putative dioxygen-binding sites and recognition of tigecycline and minocycline in the tetracycline-degrading monooxygenase TetX. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 1758 - 1767
doi: 10.1107/S0907444913013802

Forst, A.H.; Karlberg, T.; Herzog, N.; Thorsell, A.-G.; Gross, A.; Feijs, K.L. H.; Verheugd, P.; Kursula, P.; Nijmeijer, B.; Kremmer, E.; Kleine, H.; Ladurner, A.G.; Schuler, H.; Luescher, B.: Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. , Structure 21 (2013), p. 462-475
doi: 10.1016/j.str.2012.12.019

Schlechte, L.; Bon, V.; Grünker, R.; Klein, N.; Senkovska, I.; Kaskel, S.: Reprint of "Structural diversity of cobalt(II) coordination compounds involving bent imidazole ligand: A route from OD dimer to 3D coordination polymer". , Polyhedron 52 (2013), p. 1481-1488
doi: 10.1016/j.poly.2013.02.002

Nickerl, G.; Notzon, A.; Heitbaum, M.; Senkovska, I.; Glorius, F.; Kaskel, S.: Selective Adsorption Properties of Cationic Metal-Organic Frameworks Based on Imidazolic Linker. , Crystal Growth & Design 13 (2013), p. 198-203
doi: 10.1021/cg301347t

Wolters, S.; Neeb, M.; Berim, A.; Wischeler, J.S.; Petersen, M.; Heine, A.: Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 888-900
doi: 10.1107/S0907444913002874

Mayr, Florian: Structural and Functional Analysis of Lin28-Mediated Inhibition of let-7 miRNA Biogenesis. , Berlin, Freie Universität Berlin, Diss., 2013

Santos, Karine: Structural and functional studies of the spliceosomal RNP remodeling enzyme Brr2. , Uni Göttingen, 2013

Wandersleben, Traudy: Structural basis for dual regulation of spliceosomal helicase Brr2 by the Prp8 Jab1 domain and links to retinal disease. , Berlin, Freie Universität Berlin, Diss., 2013

Weber, G.; Cristao, V.F.; Santos, K.F.; Jovin, S.M.; Heroven, A.C.; Holton, N.; Luhrmann, R.; Beggs, J.D.; Wahl, M.C.: Structural basis for dual roles of Aar2p in U5 snRNP assembly. , Genes & Development 27 (2013), p. 525-540
doi: 10.1101/gad.213207.113

Schiefner, A.; Sinz, Q.; Neumaier, I.; Schwab, W.; Skerra, A.: Structural Basis for the Enzymatic Formation of the Key Strawberry Flavor Compound 4-Hydroxy-2,5-dimethyl-3(2H)-furanone. , Journal of Biological Chemistry 288 (2013), p. 16815-16826
doi: 10.1074/jbc.M113.453852

Zahn, M.; Berthold, N.; Kieslich, B.; Knappe, D.; Hoffmann, R.; Strater, N.: Structural Studies on the Forward and Reverse Binding Modes of Peptides to the Chaperone DnaK. , Journal of Molecular Biology : jmb 425 (2013), p. 2463 - 2479
doi: 10.1016/j.jmb.2013.03.041

Malecki, P.H.; Raczynska, J.E.; Vorgias, C.E.; Rypniewski, W.: Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 821-829
doi: 10.1107/S0907444913002011

Moser, J.; Lange, C.; Krausze, J.; Rebelein, J.; Schubert, W.-D.; Ribbe, M.W.; Heinz, D.W.; Jahn, D.: Structure of ADP-aluminium fluoride-stabilized protochlorophyllide oxidoreductase complex. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 110 (2013), p. 2094-2098
doi: 10.1073/pnas.1218303110

Moser, J.; Lange, C.; Krausze, J.; Rebelein, J.; Schubert, W.-D.; Ribbe, M.W.; Heinz, D.W.; Jahn, D.: Structure of ADP-aluminium fluoride-stabilized protochlorophyllide oxidoreductase complex. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 110 (2013), p. 2094-2098
doi: 10.1073/pnas.1218303110

Bauer, Johannes: Structure-Function Analyses of Two-Component Signaling in Arabidopsis Thaliana and Cellular Attachment Mechanisms of Adenovirus Type 37. , Tübingen, Eberhard Karls Universität, Diss., 2013

Welin, M.; Lehtio, L.; Johansson, A.; Flodin, S.; Nyman, T.; Tresaugues, L.; Hammarstrom, M.; Graslund, S.; Nordlund, P.: Substrate Specificity and Oligomerization of Human GMP Synthetase. , Journal of Molecular Biology : jmb 425 (2013), p. 4323-4333
doi: 10.1016/j.jmb.2013.06.032

Angelucci, F.; Saccoccia, F.; Ardini, M.; Boumis, G.; Brunori, M.; Dileandro, L.; Ippoliti, R.; Miele, A.E.; Natoli, G.; Scotti, S.; Bellelli, A.: Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis. , Journal of Molecular Biology : jmb 425 (2013), p. 4556-4568
doi: 10.1016/j.jmb.2013.09.002

Chang, K.; Fritz, M.A.; Tamm, N.B.; Goryunkov, A.A.; Sidorov, L.N.; Chen, C.; Yang, S.; Kemnitz, E.; Troyanov, S.I.: Synthesis, Structure, and Theoretical Study of Trifluoromethyl Derivatives of C84(22) Fullerene. , Chemistry - A European Journal 19 (2013), p. 577-586
doi: 10.1002/chem.201202568

Bon, V.; Senkovska, I.; Weiss, M.S.; Kaskel, S.: Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs. , CrystEngComm 15 (2013), p. 9572-9577
doi: 10.1039/c3ce41121d

Kim, Yong Ju: The crystal structure of splice variant mutant of arrestin, p44 : the pre-active conformation of arrestin. , Diss., HU Berlin, 2013

Drozdzal, P.; Gilski, M.; Kierzek, R.; Lomozik, L.; Jaskolski, M.: Ultrahigh-resolution crystal structures of Z-DNA in complex with Mn2+ and Zn2+ ions. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 1180-1190
doi: 10.1107/S0907444913007798

Heiker, J.T.; Klöting, N.; Kovacs, P.; Kuettner, E.B.; Strüter, N.; Schultz, S.; Kern, M.; Stumvoll, M.; Blüher, M.; Beck-Sickinger, A.G.: Vaspin inhibits kallikrein 7 by serpin mechanism. , Cellular and Molecular Lilfe Sciences 70 (2013), p. 2569-2583
doi: 10.1007/s00018-013-1258-8

Jeoung, J.-H.; Bommer, M.; Lin, T.-Y.; Dobbek, H.: Visualizing the substrate-, superoxo-, alkylperoxo-, and product-bound states at the nonheme Fe(II) site of homogentisate dioxygenase. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 110 (2013), p. 12625-12630
doi: 10.1073/pnas.1302144110

Biela, A.; Nasief, N.; Betz, M.; Heine, A.; Hangauer, D.; Klebe, G.: Zerlegung des hydrophoben Effekts auf molekularer Ebene: Die Rolle von Wasser, Enthalpie und Entropie bei der Ligandenbindung an Thermolysin. , Angewandte Chemie 125 (2013), p. 1868-1876
doi: 10.1002/ange.201208561

Bon, V.; Senkovska, I.; Baburin, I.A.; Kaskel, S.: Zr- and Hf-Based Metal-Organic Frameworks: Tracking Down the Polymorphism. , Crystal Growth & Design 13 (2013), p. 1231-1237
doi: 10.1021/cg301691d

2012

Hauptvogel, I.M.; Bon, V.; Grünker, R.; Baburin, I.A.; Senkovska, I.; Mueller, U.; Kaskel, S.: A family of 2D and 3D coordination polymers involving a trigonal tritopic linker. , Dalton Transactions 41 (2012), p. 4172-4179
doi: 10.1039/c2dt12072k

Strianese, M.; Palm, G.J.; Milione, S.; Kühl, O.; Hinrichs, W.; Pellecchia, C.: A FRET Enzyme-Based Probe for Monitoring Hydrogen Sulfide. , Inorganic Chemistry 51 (2012), p. 11220-11222
doi: 10.1021/ic301363d

Stoeck, U.; Krause, S.; Bon, V.; Senkovska, I.; Kaskel, S.: A highly porous metal-organic framework, constructed from a cuboctahedral super-molecular building block, with exceptionally high methane uptake. , Chemical Communications 48 (2012), p. 10841-10843
doi: 10.1039/c2cc34840c

Lincke, J.; Lässig, D.; Kobalz, M.; Bergmann, J.; Handke, M.; Möllmer, J.; Lange, M.; Roth, C.; Möller, A.; Staudt, R.; Krautscheid, H.: An Isomorphous Series of Cubic, Copper-Based Triazolyl Isophthalate MOFs: Linker Substitution and Adsorption Properties. , Inorganic Chemistry 51 (2012), p. 7579-7586
doi: 10.1021/ic3003228

Hilberg, Markus: Anaerober Toluol-Stoffwechsel in Thauera aromatica: Biochemische und spektroskopische Untersuchungen zur Reaktion der (R)-Benzylsuccinat Synthase. , Uni Marburg, 2012

Hee, C.S.; Fabian, H.; Uchanska-Ziegler, B.; Ziegler, A.; Loll, B.: Comparative biophysical characterization of chicken β2-microglobulin. , Biophysical Chemistry 167 (2012), p. 26-35
doi: 10.1016/j.bpc.2012.04.001

El Malah, T.; Ciesielski, A.; Piot, L.; Troyanov, S.I.; Müller, U.; Weidner, S.; Samori, P.; Hecht, S.: Conformationally pre-organized and pH-responsive flat dendrons: synthesis and self-assembly at the liquid-solid interface. , Nanoscale 4 (2012), p. 467-472
doi: 10.1039/c1nr11434d

Sun, L.; Chen, Y.; Rajendran, C.; Mueller, U.; Panjikar, S.; Wang, M.; Mindnich, R.; Rosenthal, C.; Penning, T.M.; Stoeckigt, J.: Crystal Structure of Perakine Reductase, Founding Member of a Novel Aldo-Keto Reductase (AKR) Subfamily That Undergoes Unique Conformational Changes during NADPH Binding. , Journal of Biological Chemistry 287 (2012), p. 11213-11221
doi: 10.1074/jbc.M111.335521

Chauviac, F.-X.; Bommer, M.; Yan, J.; Parkin, G.; Daviter, T.; Lowden, P.; Raven, E.L.; Thalassinos, K.; Keep, N.H.: Crystal Structure of Reduced Msacg, a Putative Nitroreductase from Mycobacterium Smegmatis and a Close Homologue of Mycobacterium Tuberculosis Acg. , Journal of Biological Chemistry 287 (2012), p. 44372-44383
doi: 10.1074/jbc.M112.406264

Knapp, K.; Zebisch, M.; Pippel, J.; El-Tayeb, A.; Mueller, C.E.; Sträter, N.: Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling. , Structure 20 (2012), p. 2161-2173
doi: 10.1016/j.str.2012.10.001

Schreiner, M.; Niemann, H.H.: Crystal structure of the Yersinia enterocolitica type III secretion chaperone SycD in complex with a peptide of the minor translocator YopD. , BMC Structural Biology 12 (2012), p. 13/1-9
doi: 10.1186/1472-6807-12-13

Martinez, J.; Nguyen, L. D.; Hinderlich, S.; Zimmer, R.; Tauberger, E.; Reutter, W.; Saenger, W.; Fan, H.; Moniot, S.: Crystal Structures of N-Acetylmannosamine Kinase Provide Insights into Enzyme Activity and Inhibition. , Journal of Biological Chemistry 287 (2012), p. 13656-13665
doi: 10.1074/jbc.M111.318170

Bulut, H.; Moniot, S.; Licht, A.; Scheffel, F.; Gathmann, S.; Saenger, W.; Schneider, E.: Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria gonorrhoeae. , Journal of Molecular Biology : jmb 415 (2012), p. 560
doi: 10.1016/j.jmb.2011.11.030

Roth, C.; Kaschabek, S.R.; Gröning, J.A.D.; Handrek, T.; Schlömann, M.; Straeter, N.: Crystallization and preliminary characterization of chloromuconolactone dehalogenase from Rhodococcus opacus 1CP. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 591-595
doi: 10.1107/S1744309112011888

Knapp, K.M.; Zebisch, M.; Sträter, N.: Crystallization and preliminary X-ray analysis of the open form of human ecto-5'-nucleotidase (CD73). , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 1545-1549
doi: 10.1107/S1744309112045447

Ogata, H.; Knipp, M.: Crystallization and preliminary X-ray crystallographic analysis of the membrane-binding haemprotein nitrophorin 7 from Rhodnius prolixus. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 37-40
doi: 10.1107/S1744309111044708

Banaszak, K.; Martin-Diaconescu, V.; Bellucci, M.; Zambelli, B.; Rypniewski, W.; Maroney, M.J.; Ciurli, S.: 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. , Biochemical Journal 441 (2012), p. 1017-1026
doi: 10.1042/BJ20111659

Kiliszek, A.; Kierzek, R.; Krzyzosiak, W.J.; Rypniewski, W.: Crystallographic characterization of CCG repeats. , Nucleic Acids Research 40 (2012), p. 8155-8162
doi: 10.1093/nar/gks557

Zebisch, M.; Krauss, M.; Schäfer, P.; Sträter, N.: Crystallographic Evidence for a Domain Motion in Rat Nucleoside Triphosphate Diphosphohydrolase (NTPDase) 1. , Journal of Molecular Biology : jmb 415 (2012), p. 288-306
doi: 10.1016/j.jmb.2011.10.050

Bröker, Nina Kristin: Die Erkennung komplexer Kohlenhydrate durch das Tailspike Protein aus dem Bakteriophagen HK620. , Potsdam, Universität Potsdam, Diss., 2012

Grünker, R.; Bon, V.; Heerwig, A.; Klein, N.; Müller, P.; Stoeck, U.; Baburin, I.A.; Müller, U.; Senkovska, I.; Kaskel, S.: Dye Encapsulation Inside a New Mesoporous Metal-Organic Framework for Multifunctional Solvatochromic-Response Function. , Chemistry - A European Journal 18 (2012), p. 13299-13303
doi: 10.1002/chem.201202352

Lin, Tzong-Yuan: Electron transfer between the reductase and ferredoxin component of toluene dioxygenase. , Berlin, Humboldt Universität, Diss., 2012

Köster, Helene: Endothiapepsin und Proteinkinase A: Komplexstrukturen mit neuartigen Inhibitoren, Durchmustern einer Fragmentbibliothek sowie Inhibitordesign ausgehend von einer Sonde. , Uni Marburg, 2012

Behnen, J.; Köster, H.; Neudert, G.; Craan, T.; Heine, A.; Klebe, G.: Experimental and Computational Active Site Mapping as a Starting Point to Fragment-Based Lead Discovery. , ChemMedChem 7 (2012), p. 248-261
doi: 10.1002/cmdc.201100490

Mueller, U.; Darowski, N.; Fuchs, M.R.; Förster, R.; Hellmig, M.; Paithankar, K.S.; Pühringer, S.; Steffien, M.; Zocher, G.; Weiss, M.S.: Facilities for macromolecular crystallography at the Helmholtz-Zentrum Berlin. , Journal of Synchrotron Radiation 19 (2012), p. 442-449
doi: 10.1107/S0909049512006395

Wahlberg, E.; Karlberg, T.; Kouznetsova, E.; Markova, N.; Macchiarulo, A.; Thorsell, A.-G.; Pol, E.; Frostell, A.; Ekblad, T.; Öncü, D.; Kull, B.; Robertson, G.M.; Pellicciari, R.; Schuler, H.; Weigelt, J.: Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors. , Nature Biotechnology 30 (2012), p. 283-+
doi: 10.1038/nbt.2121

Barandun, L.J.; Immekus, F.; Kohler, P.C.; Tonazzi, S.; Wagner, B.; Wendelspiess, S.; Ritschel, T.; Heine, A.; Kansy, M.; Klebe, G.; Diederich, F.: From lin-Benzoguanines to lin-Benzohypoxanthines as Ligands for Zymomonas mobilis tRNA-Guanine Transglycosylase: Replacement of Protein-Ligand Hydrogen Bonding by Importing Water Clusters. , Chemistry - A European Journal 18 (2012), p. 9246-9257
doi: 10.1002/chem.201200809

He, C.; Fuchs, M.R.; Ogata, H.; Knipp, M.: Guanidine-Ferroheme Coordination in the Mutant Protein Nitrophorin 4(L130R). , Angewandte Chemie - International Edition 51 (2012), p. 4470-4473
doi: 10.1002/anie.201108691

Biela, A.; Khayat, M.; Tan, H.; Kong, J.; Heine, A.; Hangauer, D.; Klebe, G.: Impact of Ligand and Protein Desolvation on Ligand Binding to the S1 Pocket of Thrombin. , Journal of Molecular Biology : jmb 418 (2012), p. 350-366
doi: 10.1016/j.jmb.2012.01.054

He, C.; Ogata, H.; Knipp, M.: Insertion of an H-Bonding Residue into the Distal Pocket of the Ferriheme Protein Nitrophorin 4: Effect on Nitrite-Iron Coordination and Nitrite Disproportionation. , Chemistry & Biodiversity 9 (2012), p. 1761-1775
doi: 10.1002/cbdv.201100401

Haas, Claudia Maria: Kristallographische und biochemische Charakterisierung des Golgi-assoziierten Proteins GRASP65 und seines Hefehomologen Grh1. , Berlin, Freie Universität Berlin, Diss., 2012

Biela, A.; Sielaff, F.; Terwesten, F.; Heine, A.; Steinmetzer, T.; Klebe, G.: Ligand Binding Stepwise Disrupts Water Network in Thrombin: Enthalpic and Entropic Changes Reveal Classical Hydrophobic Effect. , Journal of Medicinal Chemistry 55 (2012), p. 6094-6110
doi: 10.1021/jm300337q

Immekus, Florian Peter Philip: lin-Benzopurines as Inhibitors of tRNA-Guanine Transglycosylase: Perturbance of Homodimer Formation, Import of Water Clusters and Determinants of Crystallographical Disorder. , Uni Marburg, 2012

Dahms, S.O.; Koennig, I.; Roeser, D.; Guehrs, K.-H.; Mayer, M.C.; Kaden, D.; Multhaup, G.; Than, M.E.: Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain. , Journal of Molecular Biology : jmb 416 (2012), p. 438-452
doi: 10.1016/j.jmb.2011.12.057

Jeoung, J.-H.; Dobbek, H.: n-Butyl isocyanide oxidation at the [NiFe4S4OHx] cluster of CO dehydrogenase. , Journal of Biological Inorganic Chemistry 17 (2012), p. 167-173
doi: 10.1007/s00775-011-0839-y

Xiao, Y.; Ma, Q.; Restle, T.; Shang, W.; Svergun, D.I.; Ponnusamy, R.; Sczakiel, G.; Hilgenfeld, R.: Nonstructural Proteins 7 and 8 of Feline Coronavirus Form a 2:1 Heterotrimer That Exhibits Primer-Independent RNA Polymerase Activity. , Journal of Virology 86 (2012), p. 4444-4454
doi: 10.1128/JVI.06635-11

Knauer, S.H.; Buckel, W.; Dobbek, H.: On the ATP-Dependent Activation of the Radical Enzyme (R)-2-Hydroxyisocaproyl-CoA Dehydratase. , Biochemistry 51 (2012), p. 6609-6622
doi: 10.1021/bi300571z

Egeblad, Louise; Welin, Martin; Flodin, Susanne; Graslund, Susanne; Wang, Liya; Balzarini, Jan; Eriksson, Staffan; Nordlund, Par: Pan-Pathway Based Interaction Profiling of FDA-Approved Nucleoside and Nucleobase Analogs with Enzymes of the Human Nucleotide Metabolism. , PLoS One 7 (2012), p. e37724/1-13
doi: 10.1371/journal.pone.0037724

Hennig, S.E.; Jeoung, J.-H.; Götzl, S.; Dobbek, H.: Redox-dependent complex formation by an ATP-dependent activator of the corrinoid/iron-sulfur protein. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 109 (2012), p. 5235-5240
doi: 10.1073/pnas.1117126109

Sachs, R.; Max, K.E.A.; Heinemann, U.; Balbach, J.: RNA single strands bind to a conserved surface of the major cold shock protein in crystals and solution. , RNA 18 (2012), p. 65-76
doi: 10.1261/rna.02809212

Kudlinzki, D.; Schmitt, A.; Christian, H.; Ficner, R.: Structural analysis of the C-terminal domain of the spliceosomal helicase Prp22. , Biological Chemistry 393 (2012), p. 1131-1140
doi: 10.1515/hsz-2012-0158

Schmidt, H.; Hansen, G.; Singh, S.; Hanuszkiewicz, A.; Lindner, B.; Fukase, K.; Woodard, R.W.; Holst, O.; Hilgenfeld, R.; Mamat, U.; Mesters, J.R.: Structural and mechanistic analysis of the membrane-embedded glycosyltransferase WaaA required for lipopolysaccharide synthesis. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 109 (2012), p. 6253-6258
doi: 10.1073/pnas.1119894109

Santos, K.F.; Jovin, S.M.; Weber, G.; Pena, V.; Luehrmann, R.; Wahl, M.C.: Structural basis for functional cooperation between tandem helicase cassettes in Brr2-mediated remodeling of the spliceosome. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 109 (2012), p. 17418-17423
doi: 10.1073/pnas.1208098109

Krug, U.; Zebisch, M.; Krauss, M.; Straeter, N.: Structural Insight into Activation Mechanism of Toxoplasma gondii Nucleoside Triphosphate Diphosphohydrolases by Disulfide Reduction. , Journal of Biological Chemistry 287 (2012), p. 3051-3066
doi: 10.1074/jbc.M111.294348

Palm, G.J.; Chi, B.K.; Waack, P.; Gronau, K.; Becher, D.; Albrecht, D.; Hinrichs, W.; Read, R.J.; Antelmann, H.: Structural insights into the redox-switch mechanism of the MarR/DUF24-type regulator HypR. , Nucleic Acids Research 40 (2012), p. 4178-4192
doi: 10.1093/nar/gkr1316

Puehringer, S.; Hellmig, M.; Liu, S.; Weiss, M.S.; Wahl, M.C.; Mueller, U.: Structure determination by multiple-wavelength anomalous dispersion (MAD) at the Pr LIII edge. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 981-984
doi: 10.1107/S1744309112025456

Prochazkova, K.; Cermakova, K.; Pachl, P.; Sieglova, I.; Fabry, M.; Otwinowski, Z.; Rezacova, P.: Structure of the effector-binding domain of the arabinose repressor AraR from Bacillus subtilis. , Acta Crystallographica Section D - Biological Crystallography 68 (2012), p. 176-185
doi: 10.1107/S090744491105414X

Bujacz, A.: Structures of bovine, equine and leporine serum albumin. , Acta Crystallographica Section D - Biological Crystallography 68 (2012), p. 1278-1289
doi: 10.1107/S0907444912027047

Bulut, Haydar: Structures of carbohydrate, cysteine and cystine binding receptors of ATP-Binding Cassette (ABC) Transporters. , Berlin, Freie Universität Berlin, Diss., 2012

Lindemann, Ina: Strukturbasiertes Wirkstoffdesign am Beispiel der Zielproteine HIV-1 Protease, Transglutaminase 2 und Faktor XIII. , Uni Marburg, 2012

Lin, T.-Y.; Werther, T.; Jeoung, J.-H.; Dobbek, H.: Suppression of Electron Transfer to Dioxygen by Charge Transfer and Electron Transfer Complexes in the FAD-dependent Reductase Component of Toluene Dioxygenase. , Journal of Biological Chemistry 287 (2012), p. 38338-38346
doi: 10.1074/jbc.M112.374918

Gitto, R.; Damiano, F.M.; Mader, P.; De Luca, L.; Ferro, S.; Supuran, C.T.; Vullo, D.; Brynda, J.; Rezacova, P.; Chimirri, A.: Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors. , Journal of Medicinal Chemistry 55 (2012), p. 3891-3899
doi: 10.1021/jm300112w

Leiros, H.-K.S.; Fedoy, A.-E.; Leiros, I.; Steen, I.H.: The Complex Structures of Isocitrate Dehydrogenase from Clostridium Thermocellum and Desulfotalea Psychrophila Suggest a New Active Site Locking Mechanism. , FEBS Open Bio 2 (2012), p. 159-172
doi: 10.1016/j.fob.2012.06.003

Meining, W.; Skerra, A.: The crystal structure of human α1-microglobulin reveals a potential haem-binding site. , Biochemical Journal 445 (2012), p. 175 - 182
doi: 10.1042/BJ20120448

Dostal, Jiri; Brynda, Jiri; Hruskova-Heidingsfeldova, Olga; Pachl, Petr; Pichova, Iva; Rezacova, Pavlina: The crystal structure of protease Sapp1p from Candida parapsilosis in complex with the HIV protease inhibitor ritonavir. , Journal of Enzyme Inhibition and Medicinal Chemistry 27 (2012), p. 160-165
doi: 10.3109/14756366.2011.627508

Knauer, S.H.; Hartl-Spiegelhauer, O.; Schwarzinger, S.; Hänzelmann, P.; Dobbek, H.: The Fe(II)/alpha-ketoglutarate-dependent taurine dioxygenases from Pseudomonas putida and Escherichia coli are tetramers. , FEBS Journal 279 (2012), p. 816-831
doi: 10.1111/j.1742-4658.2012.08473.x

Biela, Adam: The Role of Water in Protein-Ligand Binding: A Comprehensive Study by Crystallography and Isothermal Titration Calorimetry. , Uni Marburg, 2012

Assefa, N.G.; Niiranen, L.; Willassen, N.P.; Smalas, A.; Moe, E.: Thermal unfolding studies of cold adapted uracil-DNA N-glycosylase (UNG) from Atlantic cod (Gadus morhua). A comparative study with human UNG. , Comparative Biochemistry and Physiology B 161 (2012), p. 60-68
doi: 10.1016/j.cbpb.2011.09.007

Biela, A.; Betz, M.; Heine, A.; Klebe, G.: Water Makes the Difference: Rearrangement of Water Solvation Layer Triggers Non-additivity of Functional Group Contributions in Protein–Ligand Binding. , ChemMedChem 7 (2012), p. 1423-1434
doi: 10.1002/cmdc.201200206

Lashkov, A.A.; Sotnichenko, S.E.; Prokofiev, I.I.; Gabdulkhakov, A.G.; Agapov, I.I.; Shtil, A.A.; Betzel, C.; Mironov, A.S.; Mikhailov, A.M.: X-ray structure of Salmonella typhimurium uridine phosphorylase complexed with 5-fluorouracil and molecular modelling of the complex of 5-fluorouracil with uridine phosphorylase from Vibrio cholerae. , Acta Crystallographica Section D - Biological Crystallography 68 (2012), p. 968-974
doi: 10.1107/S090744491201815X

Krug, M.; Weiss, M.S.; Heinemann, U.; Mueller, U.: XDSAPP: a graphical user interface for the convenient processing of diffraction data using XDS. , Journal of Applied Crystallography 45 (2012), p. 568-572
doi: 10.1107/S0021889812011715

Bon, V.; Senkovskyy, V.; Senkovska, I.; Kaskel, S.: Zr(IV) and Hf(IV) based metal-organic frameworks with reo-topology. , Chemical Communications 48 (2012), p. 8407-8409
doi: 10.1039/c2cc34246d

2011

Grünker, R.; Senkovska, I.; Biedermann, R.; Klein, N.; Lohe, M.R.; Müller, P.; Kaskel, S.: A highly porous flexible Metal-Organic Framework with corundum topology. , Chemical Communications 47 (2011), p. 490-492
doi: 10.1039/c0cc02273j

Brakemann, T.; Stiel, A.C.; Weber, G.; Andresen, M.; Testa, I.; Grotjohann, T.; Leutenegger, M.; Plessmann, U.; Urlaub, H.; Eggeling, C.; Wahl, M.C.; Hell, S.W.; Jakobs, S.: A reversibly photoswitchable GFP-like protein with fluorescence excitation decoupled from switching. , Nature Biotechnology 29 (2011), p. 942-950
doi: 10.1038/nbt.1952

Köster, H.; Craan, T.; Brass, S.; Herhaus, C.; Zentgraf, M.; Neumann, L.; Heine, A.; Klebe, G.: A Small Nonrule of 3 Compatible Fragment Library Provides High Hit Rate of Endothiapepsin Crystal Structures with Various Fragment Chemotypes. , Journal of Medicinal Chemistry 54 (2011), p. 7784-7796
doi: 10.1021/jm200642w

Padmanaban, M.; Müller, P.; Lieder, C.; Gedrich, K.; Grünker, R.; Bon, V.; Senkovska, I.; Baumgärtner, S.; Opelt, S.; Paasch, S.; Brunner, E.; Glorius, F.; Klemm, E.; Kaskel, S.: Application of a chiral metal-organic framework in enantioselective separation. , Chemical Communications 47 (2011), p. 12089-12091
doi: 10.1039/c1cc14893a

Thorsell, A.-G.; Lee, W.H.; Persson, C.; Siponen, M.I.; Nilsson, M.; Busam, R.D.; Kotenyova, T.; Schuler, H.; Lehtio, L.: Comparative Structural Analysis of Lipid Binding START Domains. , PLoS One 6 (2011), p. e19521/1-11
doi: 10.1371/journal.pone.0019521

Nayeem, N.; Mayans, O.; Green, T.: Conformational Flexibility of the Ligand-Binding Domain Dimer in Kainate Receptor Gating and Desensitization. , The Journal of Neuroscience 31 (2011), p. 2916-2924
doi: 10.1523/JNEUROSCI.4771-10.2011

Brandt, T.; Holzmann, N.; Muley, L.; Khayat, M.; Wegscheid-Gerlach, C.; Baum, B.; Heine, A.; Hangauer, D.; Klebe, G.: Congeneric but Still Distinct: How Closely Related Trypsin Ligands Exhibit Different Thermodynamic and Structural Properties. , Journal of Molecular Biology : jmb 405 (2011), p. 1170-1187
doi: 10.1016/j.jmb.2010.11.038

Ganichkin, O.M.; Anedchenko, E.A.; Wahl, M.C.: Crystal Structure Analysis Reveals Functional Flexibility in the Selenocysteine-Specific tRNA from Mouse. , PLoS One 6 (2011), p. e20032/1-13
doi: 10.1371/journal.pone.0020032

Choe, H.-W.; Kim, Y.J.; Park, J.H.; Morizumi, T.; Pai, E.F.; Krauss, N.; Hofmann, K.P.; Scheerer, P.; Ernst, O.P.: Crystal structure of metarhodopsin II. , Nature 471 (2011), p. 651-U137
doi: 10.1038/nature09789

Storbeck, S.; Saha, S.; Krausze, J.; Klink, B.U.; Heinz, D.W.; Layer, G.: Crystal Structure of the Heme d1 Biosynthesis Enzyme NirE in Complex with Its Substrate Reveals New Insights into the Catalytic Mechanism of S-Adenosyl-L-methionine-dependent Uroporphyrinogen III Methyltransferases. , Journal of Biological Chemistry 286 (2011), p. 26754-26767
doi: 10.1074/jbc.M111.239855

Lei, J.; Mesters, J.R.; von Brunn, A.; Hilgenfeld, R.: Crystal structure of the middle domain of human poly(A)-binding protein-interacting protein 1. , Biochemical and Biophysical Research Communications 408 (2011), p. 680-685
doi: 10.1016/j.bbrc.2011.04.088

Eichinger, A.; Haneburger, I.; Koller, C.; Jung, K.; Skerra, A.: Crystal structure of the sensory domain of Escherichia coli CadC, a member of the ToxR-like protein family. , Protein Science 20 (2011), p. 656-669
doi: 10.1002/pro.594

Kiliszek, A.; Kierzek, R.; Krzyzosiak, W.J.; Rypniewski, W.: Crystal structures of CGG RNA repeats with implications for fragile X-associated tremor ataxia syndrome. , Nucleic Acids Research 39 (2011), p. 7308-7315
doi: 10.1093/nar/gkr368

Nguyen, Long Duc: Crystal structures of N-acetylmannosamine kinase : Insights into activity, mutational modifications and inhibition. , Berlin, Freie Universität Berlin, Diss., 2011

Bujacz, A.; Jedrzejczak-Krzepkowska, M.; Bielecki, S.; Redzynia, I.; Bujacz, G.: Crystal structures of the apo form of β-fructofuranosidase from Bifidobacterium longum and its complex with fructose. , FEBS Journal 278 (2011), p. 1728-1744
doi: 10.1111/j.1742-4658.2011.08098.x

Licht, A.; Bulut, H.; Scheffel, F.; Daumke, O.; Wehmeier, U.F.; Saenger, W.; Schneider, E.; Vahedi-Faridi, A.: Crystal structures of the bacterial solute receptor AcbH displaying an exclusive substrate preference for beta-D-galactopyranose. , Journal of Molecular Biology : jmb 406 (2011), p. 92-105
doi: 10.1016/j.jmb.2010.11.048

Wagner, S.; Rietz, S.; Parker, J.E.; Niefind, K.: Crystallization and preliminary crystallographic analysis of Arabidopsis thaliana EDS1, a key component of plant immunity, in complex with its signalling partner SAG101. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 245-248
doi: 10.1107/S1744309110051249

Piano, D.; El Alaoui, S.; Korza, H.J.; Filipek, R.; Sabala, I.; Haniewicz, P.; Buechel, C.; De Sanctis, D.; Bochtler, M.: Crystallization of the Photosystem II core complex and its chlorophyll binding subunit CP43 from transplastomic plants of Nicotiana tabacum. , Photosynthesis Research 106 (2011), p. 221–226
doi: 10.1007/s11120-010-9597-x

Schulz, M.N.; Fanghanel, J.; Schafer, M.; Badock, V.; Briem, H.; Boemer, U.; Nguyen, D.; Husemann, M.; Hillig, R.C.: Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors. , Acta Crystallographica Section D - Biological Crystallography 67 (2011), p. 156-166
doi: 10.1107/S0907444910054144

Hauptvogel, I.M.; Biedermann, R.; Klein, N.; Senkovska, I.; Cadiau, A.; Wallacher, D.; Feyerherm, R.; Kaskel, S.: Flexible and Hydrophobic Zn-Based Metal-Organic Framework. , Inorganic Chemistry 50 (2011), p. 8367-8374
doi: 10.1021/ic200937u

Haneburger, Ina Maria Suntka: Insights into the molecular signal perception mechanism of the membrane-integrated transcriptional activator CadC of Escherichia coli. , LMU München, 2011

Zander, Ulrich: Kristallstruktur der Sulfandehydrogenase SoxCD aus Paracoccus pantotrophus. , Kiel, Christian-Albrechts-Universität zu Kiel, Diss., 2011

Koch, C.; Heine, A.; Klebe, G.: Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase. , Biochimica et Biophysica Acta - General Subjects 1810 (2011), p. 879-887
doi: 10.1016/j.bbagen.2011.06.001

Weber, G.; Cristao, V.F.; Alves, F.D.; Santos, K.F.; Holton, N.; Rappsilber, J.; Beggs, J.D.; Wahl, M.C.: Mechanism for Aar2p function as a U5 snRNP assembly factor. , Genes & Development 25 (2011), p. 1601-1612
doi: 10.1101/gad.635911

Sträter, N.; Marek, S.; Kuettner, E.B.; Kloos, M.; Keim, A.; Brüser, A.; Kirchberger, J.; Schöneberg, T.: Molecular architecture and structural basis of allosteric regulation of eukaryotic phosphofructokinases. , The FASEB Journal 25 (2011), p. 89-98
doi: 10.1096/fj.10-163865

Strube, C.P.; Homann, A.; Gamer, M.; Jahn, D.; Seibel, J.; Heinz, D.W.: Polysaccharide Synthesis of the Levansucrase SacB from Bacillus megaterium Is Controlled by Distinct Surface Motifs. , Journal of Biological Chemistry 286 (2011), p. 17593-17600
doi: 10.1074/jbc.M110.203166

Koch, C.; Heine, A.; Klebe, G.: Radiation damage reveals promising interaction position. , Journal of Synchrotron Radiation 18 (2011), p. 782-789
doi: 10.1107/S0909049511027920

Szczepek, Michal: Regulation der Enzymaktivität der Restriktionsendonuklease EcoRII durch Autoinhibition. , Berlin, Humboldt Universität, Diss., 2011

Klein, Nicole; Senkovska, Irena; Baburin, Igor A.; Grünker, Ronny; Stoeck, Ulrich; Schlichtenmayer, Maurice; Streppel, Barbara; Mueller, Uwe; Leoni, Stefano; Hirscher, Michael; Kaskel, Stefan: Route to a Family of Robust, Non-interpenetrated Metal-Organic Frameworks with pto-like Topology. , Chemistry - A European Journal 17 (2011), p. 13007-13016
doi: 10.1002/chem.201101383

Schulze Wischeler, J.; Sun, D.; Sandner, N.U.; Linne, U.; Heine, A.; Koert, U.; Klebe, G.: Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry. , Chemistry - A European Journal 17 (2011), p. 5842-5851
doi: 10.1002/chem.201002437

Schwefel, David: Structural and functional analysis of immunity-associated GTPases. , Berlin, Freie Universität Berlin, Diss., 2011

Martínez Font, Jacobo: Structural and functional studies concerning human N-acetyl mannosamine kinase. , Berlin, Freie Universität Berlin, Diss., 2011

Wang, Chengcheng: Structural and functional studies of the yeast TRAPP associated protein Tca17 and organization of human TRAPP tethering complexes. , Berlin, Freie Universität Berlin, Diss., 2011

de Groot, J.C.; Schlüter, K.; Carius, Y.; Quedenau, C.; Vingadassalom, D.; Faix, J.; Weiss, S.M.; Reichelt, J; Standfuß-Gabisch, C; Lesser, C.F.; Leong, J.M.; Heinz, D.W.; Bussow, K.; Stradal, T.E.B.: Structural Basis for Complex Formation between Human IRSp53 and the Translocated Intimin Receptor Tir of Enterohemorrhagic E. coli. , Structure 19 (2011), p. 1294-1306
doi: 10.1016/j.str.2011.06.015

Goetzl, S.; Jeoung, J.H.; Hennig, S.E.; Dobbek, H.: Structural Basis for Electron and Methyl-Group Transfer in a Methyltransferase System Operating in the Reductive Acetyl-CoA Pathway. , Journal of Molecular Biology : jmb 411 (2011), p. 96-109
doi: 10.1016/j.jmb.2011.05.025

Knauer, S.H.; Buckel, W.; Dobbek, H.: Structural Basis for Reductive Radical Formation and Electron Recycling in (R)-2-Hydroxyisocaproyl-CoA Dehydratase. , Journal of the American Chemical Society 133 (2011), p. 4342 - 4347
doi: 10.1021/ja1076537

Zhou, X.; Keller, R.; Volkmer, R.; Krauss, N.; Scheerer, P.; Hunke, S.: Structural Basis for Two-component System Inhibition and Pilus Sensing by the Auxiliary CpxP Protein. , Journal of Biological Chemistry 286 (2011), p. 9805-9814
doi: 10.1074/jbc.M110.194092

Zocher, G.; Richter, M.E.A.; Mueller, U.; Hertweck, C.: Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase. , Journal of the American Chemical Society 133 (2011), p. 2292 - 2302
doi: 10.1021/ja110146z

Zhou, Xiaohui: Structural insight into the Cpx-two-component system. , Berlin, Humboldt Universität, Diss., 2011

Günther, Sebastian: Structural Investigations of MHC Class II Conformers. , Berlin, Freie Universität Berlin, Diss., 2011

Hee, Chee Seng: Structural, biophysical and evolutionary aspects of chicken MHC class I molecules. , Berlin, Freie Universität Berlin, Diss., 2011

Nowicka, K.; Bujacz, A.; Paluch, P.; Sobczuk, A.; Jeziorna, A.; Ciesielski, W.; Bujacz, G.D.; Jurczak, J.; Potrzebowski, M.J.: Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations. , Physical Chemistry Chemical Physics 13 (2011), p. 6423-6433
doi: 10.1039/c0cp02401e

Fritsch, J.; Scheerer, P.; Frielingsdorf, S.; Kroschinsky, S.; Friedrich, B.; Lenz, O.; Spahn, C.M.T.: The crystal structure of an oxygen-tolerant hydrogenase uncovers a novel iron-sulphur centre. , Nature 479 (2011), p. 249-252
doi: 10.1038/nature10505

Nilsson, E.C.; Storm, R.J.; Bauer, J.; Johansson, S.M.C.; Lookene, A.; Ångström, J.; Hedenström, M.; Eriksson, T.; Frängsmyr, L.; Rinaldi, S.; Willison, H.J.; Pedrosa-Domellöf, F.; Stehle, T.; Arnberg, N.: The GD1a glycan is a cellular receptor for adenoviruses causing epidemic keratoconjunctivitis. , Nature Medicine 17 (2011), p. 105-109
doi: 10.1038/nm.2267

Trzeciak-Karlikowska, K.; Bujacz, A.; Ciesielski, W.; Bujacz, G.D.; Potrzebowski, M.J.: The Influence of the Stereochemistry of Alanine Residue on the Solid State Conformation and Crystal Packing of Opioid Peptides Containing D-Ala or L-Ala in Message Domain - XRD and NMR Study. , The Journal of Physical Chemistry B 115 (2011), p. 9910-9919
doi: 10.1021/jp205570y

Schuetz, A.; Nana, D.; Rose, C.; Zocher, G.; Milanovic, M.; Koenigsmann, J.; Blasig, R.; Heinemann, U.; Carstanjen, D.: The structure of the Klf4 DNA-binding domain links to self-renewal and macrophage differentiation. , Cellular and Molecular Lilfe Sciences 68 (2011), p. 3121-3131
doi: 10.1007/s00018-010-0618-x

Koch, Cornelia: Towards Improved Aldose Reductase Inhibitors - Structural and Thermodynamic Investigation of Mutant and Wild Type Aldose Reductase Inhibitor Complexes. , Uni Marburg, 2011

Koch, C.; Heine, A.; Klebe, G.: Tracing the Detail: How Mutations Affect Binding Modes and Thermodynamic Signatures of Closely Related Aldose Reductase Inhibitors. , Journal of Molecular Biology : jmb 406 (2011), p. 700-712
doi: 10.1016/j.jmb.2010.11.058

Lehwess-Litzmann, A.; Neumann, P.; Parthier, C.; Luedtke, S.; Golbik, R.; Ficner, R.; Tittmann, K.: Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism. , Nature Chemical Biology 7 (2011), p. 678-684
doi: 10.1038/NCHEMBIO.633

Blum, A.; Böttcher, J.; Dörr, S.; Heine, A.; Klebe, G.; Diederich, W.E.: Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors. , Journal of Molecular Biology : jmb 410 (2011), p. 745-755
doi: 10.1016/j.jmb.2011.04.052

2010

Knobeloch, D.; Schmidt, A.; Scheerer, P.; Krauss, N.; Wessner, H.; Scholz, Ch.; Küttner, G.; von Rintelen, T.; Wessel, A.; Höhne, W.: A coleopteran triosephosphate isomerase: X-ray structure and phylogenetic impact of insect sequences. , Insect Molecular Biology 19 (2010), p. 35-48
doi: 10.1111/j.1365-2583.2009.00928.x

Gedrich, K.; Senkovska, I.; Klein, N.; Stoeck, U.; Henschel, A.; Lohe, M.R.; Baburin, I.A.; Müller, U.; Kaskel, S.: A Highly Porous Metal-Organic Framework with Open Nickel Sites. , Angewandte Chemie - International Edition 49 (2010), p. 8489-8492
doi: 10.1002/anie.201001735

Schulze Wischeler, Johannes: Carbonic Anhydrase II: A Model System for Artificial Copper Center Design, Protein-guided Cycloadditions, Tethering Screenings and Fragment-based Lead Discovery. , Uni Marburg, 2010

Dimastrogiovanni, D.; Anselmi, M.; Miele, A.E.; Boumis, G.; Petersson, L.; Angelucci, F.; Di Nola, A.; Brunori, M.; Bellelli, A.: Combining crystallography and molecular dynamics: The case of Schistosoma mansoni phospholipid glutathione peroxidase. , Proteins - Structure, Function and Bioinformatics 78 (2010), p. 259-270
doi: 10.1002/prot.22536

Schutz, P.; Karlberg, T.; van den Berg, S.; Collins, R.; Lehtio, L.; Hogbom, M.; Holmberg-Schiavone, L.; Tempel, W.; Park, H.-W.; Hammarstrom, M.; Moche, M.; Thorsell, A.-G.; Schuler, H.: Comparative Structural Analysis of Human DEAD-Box RNA Helicases. , PLoS One 5 (2010), p. e12791/1-11
doi: 10.1371/journal.pone.0012791

Stiebritz, M.T.; Wengrzik, S.; Klein, D.L.; Richter, J.P.; Srebrzynski, A.; Weiler, S.; Muller, Y.A.: Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer. , Journal of Molecular Biology : jmb 403 (2010), p. 371-385
doi: 10.1016/j.jmb.2010.07.055

Kumar, Pravin: Conformational variability of MHC class I molecules. , Berlin, Freie Universität Berlin, Diss., 2010

Lakomek, K.; Dickmanns, A.; Ciirdaeva, E.; Schomacher, L.; Ficner, R.: Crystal Structure Analysis of DNA Uridine Endonuclease Mth212 Bound to DNA. , Journal of Molecular Biology : jmb 399 (2010), p. 604-617
doi: 10.1016/j.jmb.2010.04.044

Küttner, E.B.; Kettner, K.; Keim, A.; Svergun, D.I.; Volke, D.; Singer, D.; Hoffmann, R.; Müller, E.-C.; Otto, A.; Kriegel, T.M.; Sträter, N.: Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis. , Journal of Biological Chemistry 285 (2010), p. 41019-41033
doi: 10.1074/jbc.M110.185850

Böhm, K.; Herter, T.; Müller, J.J.; Borriss, R.; Heinemann, U.: Crystal structure of Klebsiella Sp. ASR 1 phytase suggests substrate binding to a preformed active site that meets the requirements of a plant rhizosphere enzyme. , FEBS Journal 277 (2010), p. 1284 - 1296
doi: 10.1111/j.1742-4658.2010.07559.x

Park, Jung Hee: Crystal structure of ligand-free G-protein-coupled receptor opsin. , Berlin, Humboldt Universität, Diss., 2010

Jeoung, J.H.; Giese, T.; Grunwald, M.; Dobbek, H.: Crystal Structure of the ATP-Dependent Maturation Factor of Ni,Fe-Containing Carbon Monoxide Dehydrogenases. , Journal of Molecular Biology : jmb 396 (2010), p. 1165 - 1179
doi: 10.1016/j.jmb.2009.12.062

Wenzel, S.; Martins, B.M.; Rösch, P.; Wöhrl, B.M.: Crystal structure of the human transcription elongation factor DSIF hSpt4 subunit in complex with the hSpt5 dimerization interface. , Biochemical Journal 425 (2010), p. 373-380
doi: 10.1042/BJ20091422

Cakici, O.; Sikorski, M.; Stepkowski, T.; Bujacz, G.; Jaskolski, M.: Crystal Structures of NodS N-Methyltransferase from Bradyrhizobium japonicum in Ligand-Free Form and as SAH Complex. , Journal of Molecular Biology : jmb 404 (2010), p. 874-889
doi: 10.1016/j.jmb.2010.10.016

Rychlik, M.P.; Chon, H.; Cerritelli, S.M.; Klimek, P.; Crouch, R.J.; Nowotny, M.: Crystal Structures of RNase H2 in Complex with Nucleic Acid Reveal the Mechanism of RNA-DNA Junction Recognition and Cleavage. , Molecular Cell 40 (2010), p. 658 - 670
doi: 10.1016/j.molcel.2010.11.001

Vahedi-Faridi, A.; Licht, A.; Bulut, H.; Scheffel, F.; Keller, S.; Wehmeier, U.F.; Saenger, W.; Schneider, E.: Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium. , Journal of Molecular Biology : jmb 397 (2010), p. 709-723
doi: 10.1016/j.jmb.2010.01.054

Breicha, K.; Müller, M.; Hummel, W.; Niefind, K.: Crystallization and preliminary crystallographic analysis of Gre2p, an NADP+-dependent alcohol dehydrogenase from Saccharomyces cerevisiae. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 838-841
doi: 10.1107/S1744309110018889

Winter, G.; Dökel, S.; Jones, A.K.; Scheerer, P.; Krauss, N.; Höhne, W.; Friedrich, B.: Crystallization and preliminary X-ray crystallographic analysis of the [NiFe]-hydrogenase maturation factor HypF1 from Ralstonia eutropha H16. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 452-455
doi: 10.1107/S1744309110006196

Langmach Hein, K.; Kragh-Hansen, U.; Preben Morth, J.; Jeppesen, M.D.; Otzen, D.; Moller, J.V.; Nissen, P.: Crystallographic analysis reveals a unique lidocaine binding site on human serum albumin. , Journal of Structural Biology 171 (2010), p. 353 - 360
doi: 10.1016/j.jsb.2010.03.014

Spiegelhauer, O.; Mende, S.; Dickert, F.; Knauer, S.H.; Ullmann, G.M.; Dobbek, H.: Cysteine as a modulator residue in the active site of xenobiotic reductase A: a structural, thermodynamic and kinetic study. , Journal of Molecular Biology : jmb 398 (2010), p. 66-82
doi: 10.1016/j.jmb.2010.02.044

Spiegelhauer, O.; Werther, T.; Mende, S.; Knauer, S.H.; Dobbek, H.: Determinants of substrate binding and protonation in the flavoenzyme xenobiotic reductase A. , Journal of Molecular Biology : jmb 403 (2010), p. 286-298
doi: 10.1016/j.jmb.2010.08.047

Englert, L.; Biela, A.; Zayed, M.; Heine, A.; Hangauer, D.; Klebe, G.: Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S1'-pocket of thermolysin. , Biochimica et Biophysica Acta - General Subjects 1800 (2010), p. 1192 - 1202
doi: 10.1016/j.bbagen.2010.06.009

Mukherjee, K.; Sharma, M.; Jahn, R.; Wahl, M.C.; Sudhof, T.C.: Evolution of CASK into a Mg2+-sensitive kinase. , Science Signaling 3 (2010), p. ra33 - ra33
doi: 10.1126/scisignal.2000800

Dauter, Z.; Jaskolski, M.; Wlodawer, A.: Impact of synchrotron radiation on macromolecular crystallography: a personal view. , Journal of Synchrotron Radiation 17 (2010), p. 433-444
doi: 10.1107/S0909049510011611

Resch, M.; Schiltz, E.; Titgemeyer, F.; Muller, Y.A.: Insight Into the Induction Mechanism of the GntR/HutC Bacterial Transcription Regulator YvoA. , Nucleic Acids Research 38 (2010), p. 2485-2497
doi: 10.1093/nar/gkp1191

Ruiz Carrillo, D.; Parthier, C.; Jänckel, N.; Grandke, J.; Stelter, M.; Schilling, S.; Boehme, M.; Neumann, P.; Wolf, R.; Demuth, H.-U.; Stubbs, M.T.; Rahfeld, J.-U.: Kinetic and structural characterization of bacterial glutaminyl cyclases from Zymomonas mobilis and Myxococcus xanthus. , Biological Chemistry 391 (2010), p. 1419-1428
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Angelucci, F.; Dimastrogiovanni, D.; Boumis, G.; Brunori, M.; Miele, A.E.; Saccoccia, F.; Bellelli, A.: Mapping the Catalytic Cycle of Schistosoma mansoni Thioredoxin Glutathione Reductase by X-ray Crystallography. , Journal of Biological Chemistry 285 (2010), p. 32557-32567
doi: 10.1074/jbc.M110.141960

Kahlfeldt, N.; Vahedi-Faridi, A.; Koo, S.J.; Schäfer, J.G.; Krainer, G.; Keller, S.; Saenger, W.; Krauss, M.; Haucke, V.: Molecular basis for association of PIPKI γ-p90 with clathrin adaptor AP-2. , Journal of Biological Chemistry 285 (2010), p. 2734 - 2749
doi: 10.1074/jbc.M109.074906

Sevvana, M.; Kassler, K.; Ahnström, J.; Weiler, S.; Dahlbäck, B.; Sticht, H.; Muller, Y.A.: Mouse Apom Displays an Unprecedented Seven-Stranded Lipocalin Fold: Folding Decoy or Alternative Native Fold? , Journal of Molecular Biology : jmb 404 (2010), p. 363-371
doi: 10.1016/j.jmb.2010.09.062

Gedrich, K.; Senkovska, I.; Baburin, I.A.; Müller, U.; Trapp, O.; Kaskel, S.: New Chiral and Flexible Metal-Organic Framework with a Bifunctional Spiro Linker and Zn4O-Nodes. , Inorganic Chemistry 49 (2010), p. 4440-4446
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Baum, B.; Muley, L.; Smolinski, M.; Heine, A.; Hangauer, D.; Klebe, G.: Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry. , Journal of Molecular Biology : jmb 397 (2010), p. 1042 - 1054
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Schwefel, D.; Fröhlich, C.; Daumke, O.: Purification, crystallization and preliminary X-ray analysis of human GIMAP2. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 725-729
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Di Matteo, A.; Calosci, N.; Gianni, S.; Jemth, P.; Brunori, M.; Travaglini-Allocatelle, C.: Structural and functional characterization of CcmG from Pseudomonas aeruginosa, a key component of the bacterial cytochrome c maturation apparatus. , Proteins - Structure, Function and Bioinformatics 78 (2010), p. 2213-2221
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Bhattacharya, Sarbani: Structural and functional studies of growth arrest and DNA-damage proteins. , Berlin, Freie Universität Berlin, Diss., 2010

Schulz, E.C.; Schwarzer, D.; Frank, M.; Stummeyer, K.; Mühlenhoff, M.; Dickmanns, A.; Gerardy-Schahn, R.; Ficner, R.: Structural basis for the recognition and cleavage of polysialic acid by the bacteriophage K1F tailspike protein EndoNF. , Journal of Molecular Biology : jmb 397 (2010), p. 341-351
doi: 10.1016/j.jmb.2010.01.028

Carius, Y.; Christian, H.; Faust, A.; Zander, U.; Klink, B.U.; Kornberger, P.; Kohring, G.-W.; Giffhorn, F.; Scheidig, A.J.: Structural Insight into Substrate Differentiation of the Sugar-metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter sphaeroides D. , Journal of Biological Chemistry 285 (2010), p. 20006-20014
doi: 10.1074/jbc.M110.113738

Hee, C.S.; Gao, S.; Loll, B.; Miller, M.M.; Uchanska-Ziegler, B.; Daumke, O.; Ziegler, A.: Structure of a Classical MHC Class I Molecule That Binds "Non-Classical" Ligands. , PLoS Biology 8 (2010), p. e1000557/1-12
doi: 10.1371/journal.pbio.1000557

Treiber, N.; Treiber, T.; Zocher, G.; Grosschedl, R.: Structure of an Ebf1:DNA complex reveals unusual DNA recognition and structural homology with Rel proteins. , Genes & Development 24 (2010), p. 2270-2275
doi: 10.1101/gad.1976610

Wedepohl, Stefanie: Struktur und Funktion des Adhäsionsrezeptors L-Selektin. , Berlin, Freie Universität Berlin, Diss., 2010

Reuter, K.; Pittelkow, M.; Bursy, J.; Heine, A.; Craan, T.; Bremer, E.: Synthesis of 5-hydroxyectoine from ectoine: crystal structure of the non-heme iron(II) and 2-oxoglutarate-dependent dioxygenase EctD. , PLoS One 5 (2010), p. e10647-e10647
doi: 10.1371/journal.pone.0010647

Patzke, C.; Max, K.E.; Behlke, J.; Schreiber, J.; Schmidt, H.; Dorner, A.A.; Kröger, S.; Henning, M.; Otto, A.; Heinemann, U.; Rathjen, F.G.: The coxsackievirus-adenovirus receptor reveals complex homophilic and heterophilic interactions on neural cells. , The Journal of Neuroscience 30 (2010), p. 2897-2910
doi: 10.1523/JNEUROSCI.5725-09.2010

Stegmann, C.M.; Lührmann, R.; Wahl, M.C.: The Crystal Structure of Ppil1 Bound to Cyclosporine a Suggests a Binding Mode for a Linear Epitope of the Skip Protein. , PLoS One 5 (2010), p. e10013/1-9
doi: 10.1371/journal.pone.0010013

Grünker, R.; Senkovska, I.; Biedermann, R.; Klein, N.; Klausch, A.; Baburin, I.A.; Müller, U.; Kaskel, S.: Topological Diversity, Adsorption and Fluorescence Properties of MOFs Based on a Tetracarboxylate Ligand. , European Journal of Inorganic Chemistry 2010 (2010), p. 3835-3841
doi: 10.1002/ejic.201000415

Faust, A.; Puehringer, S.; Darowski, N.; Panjikar, S.; Diederichs, K.; Mueller, U.; Weiss, M.S.: Update on the tutorial for learning and teaching macromolecular crystallography. , Journal of Applied Crystallography 43 (2010), p. 1230-1237
doi: 10.1107/S0021889810028189

2009

Oschlies, M.; Dickmanns, A.; Haselhorst, T.; Schaper, W.; Stummeyer, K.; Tiralongo, J.; Weinhold, B.; Gerardy-Schahn, R.; von Itzstein, M.; Ficner, R.; Münster-Kühnel, A.K.: A C-terminal phosphatase module conserved in vertebrate CMP-sialic acid synthetases provides a tetramerization interface for the physiologically active enzyme. , Journal of Molecular Biology : jmb 393 (2009), p. 83-97
doi: 10.1016/j.jmb.2009.08.003

Klein, N.; Senkovska, I.; Gedrich, K.; Stöck, U.; Henschel, A.; Müller, U.; Kaskel, S.: A Mesoporous Metal-Organic Framework. , Angewandte Chemie - International Edition 48 (2009), p. 9954-9957
doi: 10.1002/anie.200904599

Ritschel, T.; Hoertner, S.; Heine, A.; Diederich, F.; Klebe, G.: Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT. , ChemBioChem 10 (2009), p. 716-727
doi: 10.1002/cbic.200800782

Kotzsch, A.; Nickel, J.; Seher, A.; Sebald, W.; Müller, T.D.: Crystal structure analysis reveals a spring-loaded latch as molecular mechanism for GDF-5-type I receptor specificity. , The EMBO Journal 28 (2009), p. 937-947
doi: 10.1038/emboj.2009.37

Dahlroth, S.L.; Gurmu, D.; Schmitzberger, F.; Engman, H.; Haas, J.; Erlandsen, H.; Nordlund, P.: Crystal structure of the shutoff and exonuclease protein from the oncogenic Kaposi's sarcoma-associated herpesvirus. , FEBS Journal 276 (2009), p. 6636-6645
doi: 10.1111/j.1742-4658.2009.07374.x

Luckner, S.R.; Machutta, C.A.; Tonge, P.J.; Kisker, C.: Crystal Structures of Mycobacterium Tuberculosis Kasa Show Mode of Action within Cell Wall Biosynthesis and its Inhibition by Thiolactomycin. , Structure 17 (2009), p. 1004-1013
doi: 10.1016/j.str.2009.04.012

Thoms, S.; Max, K.E.A.; Wunderlich, M.; Jacso, T.; Lilie, H.; Reif, B.; Heinemann, U.; Schmid, F.X.: Dimer Formation of a Stabilized Gbeta1 Variant: A Structural and Energetic Analysis. , Journal of Molecular Biology : jmb 391 (2009), p. 918-932
doi: 10.1016/j.jmb.2009.06.031

Pedotti, M.; Rosini, E.; Molla, G.; Moschetti, T.; Savino, C.; Vallone, B.; Pollegioni, L.: Glyphosate resistance by engineering the flavoenzyme glycine oxidase. , Journal of Biological Chemistry 284 (2009), p. 36415-36423
doi: 10.1074/jbc.M109.051631

Ritschel, T.; Kohler, P.C.; Neudert, G.; Heine, A.; Diederich, F.; Klebe, G.: How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase. , ChemMedChem 4 (2009), p. 2012-2023
doi: 10.1002/cmdc.200900343

Koschubs, T.; Seizl, M.; Lariviere, L.; Kurth, F.; Baumli, S.; Martin, D.E.; Cramer, P.: Identification, structure, and functional requirement of the Mediator submodule Med7N/31. , The EMBO Journal 28 (2009), p. 69-80
doi: 10.1038/emboj.2008.254

Lunelli, M.; Lokareddy, R.K.; Zychlinsky, A.; Kolbe, M.: IpaB-IpgC interaction defines binding motif for type III secretion translocator. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 106 (2009), p. 9661-9666
doi: 10.1073/pnas.0812900106

Baiocco, P.; Colotti, G.; Franceschini, S.; Ilari, A.: Molecular Basis of Antimony Treatment in Leishmaniasis. , Journal of Medicinal Chemistry 52 (2009), p. 2603–2612
doi: 10.1021/jm900185q

Monecke, T.; Dickmanns, A.; Ficner, R.: Structural basis for m7G-cap hypermethylation of small nuclear, small nucleolar and telomerase RNA by the dimethyltransferase TGS1. , Nucleic Acids Research 37 (2009), p. 3865-3877
doi: 10.1093/nar/gkp249

Kumar, P.; Vahedi-Faridi, A.; Saenger, W.; Merino, E.; Lopez de Castro, J.A.; Uchanska-Ziegler, B.; Ziegler, A.: Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens. , Journal of Biological Chemistry 284 (2009), p. 29784-29797
doi: 10.1074/jbc.M109.038497

Jeoung, J.H.; Dobbek, H.: Structural basis of cyanide inhibition of Ni, Fe-containing carbon monoxide dehydrogenase. , Journal of the American Chemical Society 131 (2009), p. 9922-9923
doi: 10.1021/ja9046476

Ilari, A.; Franceschini, S.; Bonamore, A.; Arenghi, F.; Botta, B.; Macone, A.; Pasquo, A.; Bellucci, L.; Boffi, A.: Structural Basis of Enzymatic S-Norcoclaurine Biosynthesis. , Journal of Biological Chemistry 284 (2009), p. 897-904
doi: 10.1074/jbc.M803738200

Zögg, T.; Brandstetter, H.: Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa. , Structure 17 (2009), p. 1669-1678
doi: 10.1016/j.str.2009.10.011

Geibel, S.; Banchenko, S.; Engel, M.; Lanka, E.; Saenger, W.: Structure and function of primase RepB' encoded by broad-host-range plasmid RSF1010 that replicates exclusively in leading-strand mode. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 106 (2009), p. 7810-7815
doi: 10.1073/pnas.0902910106

Schmiedel, R.; Kuettner, E.B.; Keim, A.; Sträter, N.; Greiner-Stöffele, T.: Structure and function of the abasic site specificity pocket of an AP endonuclease from Archaeoglobus fulgidus. , DNA Repair 8 (2009), p. 219-231
doi: 10.1016/j.dnarep.2008.10.009

Collins, R.; Karlberg, T.; Lehtio, L.; Schutz, P.; van den Berg, S.; Dahlgren, L.-G.; Hammarstrom, M.; Weigelt, J.; Schuler, H.: The DEXD/H-box RNA Helicase DDX19 Is Regulated by an α-Helical Switch. , Journal of Biological Chemistry 284 (2009), p. 10296-10300
doi: 10.1074/jbc.C900018200

Tan, J.; Vonrhein, C.; Smart, O.S.; Bricogne, G.; Bollati, M.; Kusov, Y.; Hansen, G.; Mesters, J.R.; Schmidt, C.L.; Hilgenfeld, R.: The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes. , PLoS Pathogens 5 (2009), p. 428/1-11
doi: 10.1371/journal.ppat.1000428

Baum, B.; Muley, L.; Heine, A.; Smolinski, M.; Hangauer, D.; Klebe, G.: Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. , Journal of Molecular Biology : jmb 391 (2009), p. 552-564
doi: 10.1016/j.jmb.2009.06.016

Kashav, T.; Nitharwal, R.; Abdulrehman, S.A.; Gabdoulkhakov, A.; Saenger, W.; Dhar, S.K.; Gourinath, S.: Three-dimensional structure of N-terminal domain of DnaB helicase and helicase-primase interactions in Helicobacter pylori. , PLoS One 4 (2009), p. e7515/1-10
doi: 10.1371/journal.pone.0007515

Striegl, H.; Roske, Y.; Kummel, D.; Heinemann, U.: Unusual Armadillo Fold in the Human General Vesicular Transport Factor P115. , PLoS One 4 (2009), p. e4656/1-8
doi: 10.1371/journal.pone.0004656

2008

Ziegler, K.; Benz, R.; Schulz, G.E.: A Putative Alpha-Helical Porin from Corynebacterium Glutamicum. , Journal of Molecular Biology : jmb 379 (2008), p. 482-491
doi: 10.1016/j.jmb.2008.04.017

Müller, J.J.; Barbirz, S.; Heinle, K.; Freiberg, A.; Seckler, R.; Heinemann, U.: An Intersubunit Active Site between Supercoiled Parallel Beta Helices in the Trimeric Tailspike Endorhamnosidase of Shigella Flexneri Phage Sf6. , Structure 16 (2008), p. 766-775
doi: 10.1016/j.str.2008.01.019

Arcovito, A.; Moschetti, T.; D'Angelo, P.; Mancini, G.; Vallone, B.; Brunori, M.; Della Longa, S.: An X-Ray Diffraction and X-Ray Absorption Spectroscopy Joint Study of Neuroglobin. , Archives of Biochemistry and Biophysics 475 (2008), p. 7-13
doi: 10.1016/j.abb.2008.03.026

Ziegler, M.O.P.; Jank, T.; Aktories, K.; Schulz, G.E.: Conformational Changes and Reaction of Clostridial Glycosylating Toxins. , Journal of Molecular Biology : jmb 377 (2008), p. 1346-1356
doi: 10.1016/j.jmb.2007.12.065

Zhang, J.-L.; Qiu, L.-Y.; Kotzsch, A.; Weidauer, S.; Patterson, L.; Hammerschmidt, M.; Sebald, W.; Mueller, T.D.: Crystal structure analysis reveals how the Chordin family member crossveinless 2 blocks BMP-2 receptor binding. , Developmental Cell 14 (2008), p. 739-750
doi: 10.1016/j.devcel.2008.02.017

Barbirz, S.; Müller, J.J.; Uetrecht, C.; Clark, A.J.; Heinemann, U.; Seckler, R.: Crystal Structure of Escherichia Coli Phage Hk620 Tailspike: Podoviral Tailspike Endoglycosidase Modules are Evolutionarily Related. , Molecular Microbiology 69 (2008), p. 303-316
doi: 10.1111/j.1365-2958.2008.06311.x

Scheerer, P.; Park, J.H.; Hildebrand, P.W.; Kim, Y.J.; Krauss, N.; Choe, H.-W.; Hofmann, K.P.; Ernst, O.P.: Crystal structure of opsin in its G-protein-interacting conformation. , Nature 455 (2008), p. 497-502
doi: 10.1038/nature07330

Park, J.H.; Scheerer, P.; Hofmann, K.P.; Choe, H.-W.; Ernst, O.P.: Crystal structure of the ligand-free G-protein-coupled receptor opsin. , Nature 454 (2008), p. 183-187
doi: 10.1038/nature07063

Monecke, T.; Schell, S.; Dickmanns, A.; Ficner, R.: Crystal structure of the RRM domain of poly(A)-specific ribonuclease reveals a novel m(7)G-cap-binding mode. , Journal of Molecular Biology : jmb 382 (2008), p. 827-834
doi: 10.1016/j.jmb.2008.07.073

Pfoh, R.; Laatsch, H.; Sheldrick, G.M.: Crystal structure of trioxacarcin A covalently bound to DNA. , Nucleic Acids Research 36 (2008), p. 3508-3514
doi: 10.1093/nar/gkn245

Vahedi-Faridi, A.; Eckey, V.; Scheffel, F.; Alings, C.; Landmesser, H.; Schneider, E.; Saenger, W.: Crystal structures and mutational analysis of the arginine-, lysine-, histidine-binding protein ArtJ from Geobacillus stearothermophilus. Implications for interactions of ArtJ with its cognate ATP-binding cassette transporter, Art(MP)2. , Journal of Molecular Biology : jmb 375 (2008), p. 448-459
doi: 10.1016/j.jmb.2007.10.049

Breithaupt, C.; Schäfer, B.; Pellkofer, H.; Huber, R.; Linington, C.; Jacob, U.: Demyelinating myelin oligodendrocyte glycoprotein-specific autoantibody response is focused on one dominant conformational epitope region in rodents. , Journal of Immunology 181 (2008), p. 1255-1263
doi: 10.4049/jimmunol.181.2.1255

Grueninger, D.; Treiber, N.; Ziegler, M.O.P.; Koetter, J.W.A.; Schulze, M.-S.; Schulz, G.E.: Designed Protein-Protein Association. , Science 319 (2008), p. 206-209
doi: 10.1126/science.1150421

Angelucci, F.; Miele, A.E.; Boumis, G.; Dimastrogiovanni, D.; Brunori, M.; Bellelli, A.: Glutathione Reductase and Thioredoxin Reductase at the Crossroad: The Structure of Schistosoma Mansoni Thioredoxin Glutathione Reductase. , Proteins - Structure, Function and Bioinformatics 72 (2008), p. 936-945
doi: 10.1002/prot.21986

Kittler, J.T.; Chen, G.; Kukhtina, V.; Vahedi-Faridi, A.; Gu, Z.; Tretter, V.; Smith, K.R.; McAinsh, K.; Arancibia-Carcamo, I.L.; Saenger, W.; Haucke, V.; Yan, Z.; Moss, S.J.: Regulation of synaptic inhibition by phospho-dependent binding of the AP2 complex to a YECL motif in the GABAA receptor gamma2 subunit. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 105 (2008), p. 3616-3621
doi: 10.1073/pnas.0707920105

Böttcher, J.; Blum, A.; Heine, A.; Diederich, W.E.; Klebe, G.: Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease. , Journal of Molecular Biology : jmb 383 (2008), p. 347-357
doi: 10.1016/j.jmb.2008.07.062

Brouns, S.J.; Barends, T.R.; Worm, P.; Akerboom, J.; Turnbull, A.P.; Salmon, L.; van der Oost, J.: Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily. , Journal of Molecular Biology : jmb 379 (2008), p. 357-371
doi: 10.1016/j.jmb.2008.03.064

Löw, C.; Weininger, U.; Neumann, P.; Klepsch, M.; Lilie, H.; Stubbs, M.T.; Balbach, J.: Structural insights into an equilibrium folding intermediate of an archaeal ankyrin repeat protein. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 105 (2008), p. 3779-3784
doi: 10.1073/pnas.0710657105

Pena, V.; Rozov, A.; Fabrizio, P.; Luhrmann, R.; Wahl, M.C.: Structure and function of an RNase H domain at the heart of the spliceosome. , The EMBO Journal 27 (2008), p. 2929-2940
doi: 10.1038/emboj.2008.209

Treiber, N.; Reinert, D.J.; Carpusca, I.; Aktories, K.; Schulz, G.E.: Structure and Mode of Action of a Mosquitocidal Holotoxin. , Journal of Molecular Biology : jmb 381 (2008), p. 150-159
doi: 10.1016/j.jmb.2008.05.067

Blum, A.; Böttcher, J.; Heine, A.; Klebe, G.; Diederich, W.E.: Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. , Journal of Medicinal Chemistry 51 (2008), p. 2078-2087
doi: 10.1021/jm701142s

2007

Romir, J.; Lilie, H.; Egerer-Sieber, C.; Bauer, F.; Sticht, H.; Muller, Y.A.: Crystal structure analysis and solution studies of human Lck-SH3; zinc-induced homodimerization competes with the binding of proline-rich motifs. , Journal of Molecular Biology : jmb 365 (2007), p. 1417-1428
doi: 10.1016/j.jmb.2006.10.058

Brouns, S.J.; Turnbull, A.P.; Willemen, H.L.; Akerboom, J.; van der Oost, J.: Crystal Structure and Biochemical Properties of the d-Arabinose Dehydrogenase from Sulfolobus solfataricus. , Journal of Molecular Biology : jmb 371 (2007), p. 1249-1260
doi: 10.1016/j.jmb.2007.05.097

Luckner, S.R.; Klotzsche, M.; Berens, C.; Hillen, W.; Muller, Y.A.: How an agonist peptide mimics the antibiotic tetracycline to induce Tet-repressor. , Journal of Molecular Biology : jmb 368 (2007), p. 780-790
doi: 10.1016/j.jmb.2007.02.030

Hald, H.; Naur, P.; Pickering, D.S.; Sprogoe, D.; Madsen, U.; Timmermann, D.B.; Ahring, P.K.; Liljefors, T.; Schousboe, A.; Egebjerg, J.; Gajhede, M.; Kastrup, J.S.: Partial agonism and antagonism of the ionotropic glutamate receptor iGLuR5 : Structures of the ligand-bining core in complex with domoic acid and 2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propionic acid. , Journal of Biological Chemistry 282 (2007), p. 25726-25736
doi: 10.1074/jbc.M700137200

Scheerer, P.; Borchert, A.; Krauss, N.; Wessner, H.; Gerth, C.; Höhne, W.; Kuhn, H.: Structural basis for catalytic activity and enzyme polymerization of phospholipid hydroperoxide glutathione peroxidase-4 (GPx4). , Biochemistry 46 (2007), p. 9041-9049
doi: 10.1021/bi700840d

Wohlwend, D.; Strasser, A.; Dickmanns, A.; Ficner, R.: Structural basis for RanGTP independent entry of spliceosomal U snRNPs into the nucleus. , Journal of Molecular Biology : jmb 374 (2007), p. 1129-1138
doi: 10.1016/j.jmb.2007.09.065

Zocher, G.E.; Winkler, R.; Hertweck, C.; Schulz, G.E.: Structure and Action of the N-Oxygenase Aurf from Streptomyces Thioluteus. , Journal of Molecular Biology : jmb 373 (2007), p. 65-74
doi: 10.1016/j.jmb.2007.06.014

Faust, A.; Niefind, K.; Hummel, W.; Schomburg, D.: The Structure of a Bacterial L-Amino Acid Oxidase from Rhodococcus Opacus Gives New Evidence for the Hydride Mechanism for Dehydrogenation. , Journal of Molecular Biology : jmb 367 (2007), p. 234-248
doi: 10.1016/j.jmb.2006.11.071

2006

Manjasetty, B.A.; Buessow, K.; Fieber-Erdmann, M.; Roske, Y.; Gobom, J.; Scheich, C.; Goetz, F.; Niesen, F.H.; Heinemann, U.: Crystal structure of Homo sapiens PTD012 reveals a zinc-containing hydrolase fold. , Protein Science 15 (2006), p. 914-920
doi: 10.1110/ps.052037006

Jensen, A.M.L.; Sorensen, T.L.-M.; Olesen, C.; Moller, J.V.; Nissen, P.: Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump. , The EMBO Journal 25 (2006), p. 2305-2314
doi: 10.1038/sj.emboj.7601135

Soehoel, H.; Jensen, A.L.; Moller, J.V.; Nissen, P.; Denmeade, S.R.; Isaacs, J.T.; Olsen, C.E.; Christensen, S.B.: Natural Products as Starting Materials for Development of Second-Generation Serca Inhibitors Targeted Towards Prostate Cancer Cells. , Bioorganic & Medicinal Chemistry 14 (2006), p. 2810-2815
doi: 10.1016/j.bmc.2005.12.001

Sevvana, M.; Biadene, M.; Ma, Q.; Guo, C.; Soling, H.-D.; Sheldrick, G.M.; Ferrari, D.M.: Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants. , Acta Crystallographica Section D - Biological Crystallography 62 (2006), p. 589–594
doi: 10.1107/S0907444906010456

Kümmel, D.; Müller, J.J.; Roske, Y.; Henke, N.; Heinemann, U.: Structure of the Bet3-Tpc6B Core of Trapp: Two Tpc6 Paralogs Form Trimeric Complexes with Bet3 and Mum2. , Journal of Molecular Biology : jmb 361 (2006), p. 22-32
doi: 10.1016/j.jmb.2006.06.012

Frese, S.; Schubert, W.-D.; Findeis, A.C.; Marquardt, T.; Roske, Y.S.; Stradal, T.E.B.; Heinz, D.W.: The Phosphotyrosine Peptide Binding Specificity of Nck1 and Nck2 Src Homology 2 Domains. , Journal of Biological Chemistry 281 (2006), p. 18236-18245
doi: 10.1074/jbc.M512917200

Fredslund, F.; Jenner, L.; Husted, L.B.; Nyborg, J.; Andersen, G.R.; Sottrup-Jensen, L.: The structure of bovine complement component 3 reveals the basis for thioester function. , Journal of Molecular Biology : jmb 361 (2006), p. 115-127
doi: 10.1016/j.jmb.2006.06.009

2005

Fiorillo, M.T.; Ruckert, C.; Hulsmeyer, M.; Sorrentino, R.; Saenger, W.; Ziegler, A.; Uchanska-Ziegler, B.: Allele-Dependent Similarity between Viral and Self-Peptide Presentation by Hla-B27 Subtypes. , Journal of Biological Chemistry 280 (2005), p. 2962-2971
doi: 10.1074/jbc.M410807200

Rossocha, M.; Schultz-Heienbrok, R.; Von Moeller, H.; Coleman, J.P.; Saenger, W.: Conjugated Bile Acid Hydrolase is a Tetrameric N-Terminal Thiol Hydrolase with Specific Recognition of its Cholyl But not of its Tauryl Product. , Biochemistry 44 (2005), p. 5739–5748
doi: 10.1021/bi0473206

Stummeyer, K.; Dickmanns, A.; Mühlenhoff, M.; Gerardy-Schahn, R.; Ficner, R.: Crystal Structure of the Polysialic Acid-Degrading Endosialidase of Bacteriophage K1F. , Nature Structural & Molecular Biology 12 (2005), p. 90–96
doi: 10.1038/nsmb874

Roeser, D.; Dickmanns, A.; Gasow, K.; Rudolph, M.G.: De novo calcium/sulfur SAD phasing of the human formylglycine-generating enzyme using in-house data. , Acta Crystallographica Section D - Biological Crystallography 61 (2005), p. 1057-1066
doi: 10.1107/S0907444905013831

Brouns, S.J.J.; Wu, H.; Akerboom, J.; Turnbull, A.P.; de Vos, W.M.; van der Oost, J.: Engineering a selectable marker for hyperthermophiles. , Journal of Biological Chemistry 280 (2005), p. 11422-11431
doi: 10.1074/jbc.M413623200

Blicher, T.; Kastrup, J.S.; Buus, S.; Gajhede, M.: High-resolution structure of HLA-A*1101 in complex with SARS nucleocapsid peptide. , Acta Crystallographica Section D - Biological Crystallography 61 (2005), p. 1031-1040
doi: 10.1107/S0907444905013090

Kraetzner, R.; Debreczeni, J.E.; Pape, T.; Schneider, T.R.; Wentzel, A.; Kolmar, H.; Sheldrick, G.M.; Uson, I.: Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold. , Acta Crystallographica Section D - Biological Crystallography 61 (2005), p. 1255-1262
doi: 10.1107/S0907444905021207

Turnbull, A.P.; Kümmel, D.; Prinz, B.; Holz, C.; Schultchen, J.; Lang, C.; Niesen, F.H.; Hofmann, K.-P.; Delbrück, H.; Behlke, J.; Müller, E.-Chr.; Jarosch, E.; Jarosch, H.; Heinemann, U.: Structure of palmitoylated BET3: insights into TRAPP complex assembly and membrane localization. , The EMBO Journal 24 (2005), p. 875-884
doi: 10.1038/sj.emboj.7600565

Neculai, D.; Neculai, A.M.; Verrier, S.; Straub, K.; Klumpp, K.; Pfitzner, E.; Becker, S.: Structure of the unphosphorylated STAT5a dimer. , Journal of Biological Chemistry 280 (2005), p. 40782-40787
doi: 10.1074/jbc.M507682200

Mueller, I.; Stueckl, A.C.; Wakeley, J.; Kertesz, M.; Uson, I.: Succinate Complex Crystal Structures of the Alpha-Ketoglutarate-Dependent Dioxygenase Atsk: Steric Aspects of Enzyme Self-Hydroxylation. , Journal of Biological Chemistry 280 (2005), p. 5716-5723
doi: 10.1074/jbc.M410840200

Kümmel, D.; Mueller, J.J.; Roske, Y.; Misselwitz, R.; Bussow, K.; Heinemann, U.: The Structure of the Trapp Subunit Tpc6 Suggests a Model for a Trapp Subcomplex. , EMBO Reports 6 (2005), p. 787-793
doi: 10.1038/sj.embor.7400463

Hülsmeyer, M.; Welfle, K.; Pohlmann, T.; Misselwitz, R.; Alexiev, U.; Welfle, H.; Saenger, W.; Uchanska-Ziegler, B.; Ziegler, A.: Thermodynamic and Structural Equivalence of Two Hla-B27 Subtypes Complexed with a Self-Peptide. , Journal of Molecular Biology : jmb 346 (2005), p. 1367-1379
doi: 10.1016/j.jmb.2004.12.047

Dong, C.; Flecks, S.; Unversucht, S.; Haupt, C.; van Pee, K.H.; Naismith, J.H.: Tryptophan 7-halogenase (PrnA) structure suggests a mechanism for regioselective chlorination. , Science 309 (2005), p. 2216-2219
doi: 10.1126/science.1116510

Manjasetty, B.A.; Niesen, F.H.; Scheich, C.; Roske, Y.; Goetz, F.; Behlke, J.; Sievert, V.; Heinemann, U.; Büssow, K.: X-ray structure of engineered human Aortic Preferentially Expressed Protein-1 (APEG-1). , BMC Structural Biology 5 (2005), p. 21/1-8
doi: 10.1186/1472-6807-5-21

2004

Manjasetty, B.A.; Delbrück, H.; Pham, D.T.; Müller, U.; Fieber-Erdmann, M.; Scheich, C.; Sievert, V.; Büssow, K.; Niesen, F.H.; Weihofen, W.; Loll, B.; Saenger, W.; Heinemann, U.: Crystal structure of Homo sapiens protein hp14.5. , Proteins - Structure, Function and Bioinformatics 54 (2004), p. 797-800
doi: 10.1002/prot.10619

Sprogoe, D.; van den Broek, L.A.M.; Mirza, O.; Kastrup, J.S.; Voragen, A.G.; Gajhede, M.; Skov, L.K.: Crystal structure of sucrose phosphorylase from Bifidobacterium adolescentis. , Biochemistry 43 (2004), p. 1156-1162
doi: 10.1021/bi0356395

Hülsmeyer, M.; Fiorillo, M.T.; Bettosini, F.; Sorrentino, R.; Saenger, W.; Ziegler, A.; Uchanska-Ziegler, B.: Dual, HLA-B27 subtype-dependent conformation of a self-peptide. , Journal of Experimental Medicine : JEM 199 (2004), p. 271-281
doi: 10.1084/jem.20031690

Roske, Y.; Sunna, A.; Pfeil, W.; Heinemann, U.: High-resolution crystal structures of Caldicellulosiruptor strain Rt8B.4 carbohydrate-binding module CBM27-1 and its complex with mannohexaose. , Journal of Molecular Biology : jmb 340 (2004), p. 543-554
doi: 10.1016/j.jmb.2004.04.072

Odintsov, S.G.; Sabala, I.; Marcyjaniak, M.; Bochtler, M.: Latent LytM at 1.3A resolution. , Journal of Molecular Biology : jmb 335 (2004), p. 775-785
doi: 10.1016/j.jmb.2003.11.009

Khare, D.; Ziegelin, G.; Lanka, E.; Heinemann, U.: Sequence-specific DNA binding determined by contacts outside the helix-turn-helix motif of the ParB homolog KorB. , Nature Structural & Molecular Biology 11 (2004), p. 656-663
doi: 10.1038/nsmb773

Sgraja, T.; Ulschmid, J.; Becker, K.; Schneuwly, S.; Klebe, G.; Reuter, K.; Heine, A.: Structural Insights into the Neuroprotective-acting Carbonyl Reductase Sniffer of Drosophila melanogaster. , Journal of Molecular Biology : jmb 342 (2004), p. 1613-1624
doi: 10.1016/j.jmb.2004.08.020

Manjasetty, B.A.; Niesen, F.H.; Delbrück, H.; Götz, F.; Sievert, V.; Büssow, K.; Behlke, J.; Heinemann, U.: X-ray structure of fumarylacetoacetate hydrolase family member Homo sapiens FLJ36880. , Biological Chemistry 385 (2004), p. 935-942
doi: 10.1515/BC.2004.122

Manjasetty, B.A.; Quedenau, C.; Sievert, V.; Buessow, K.; Niesen, F.; Delbrueck, H.; Heinemann, U.: X-ray structure of human gankyrin, the product of a gene linked to hepatocellular carcinoma. , Proteins - Structure, Function and Bioinformatics 55 (2004), p. 214-217
doi: 10.1002/prot.20028

2003

Layer, G.; Moser, J.; Heinz, D.W.; Jahn, D.; Schubert, W.-D.: Crystal Structure of Coproporphyrinogen III Oxidase Reveals Cofactor Geometry of Radical Sam Enzymes. , The EMBO Journal 22 (2003), p. 6214-6224
doi: 10.1093/emboj/cdg598

Xu, H.; Sträter, N.; Schröder, W.; Böttcher, C.; Ludwig, K.; Saenger, W.: Structure of DNA helicase RepA in complex with sulfate at 1.95 A resolution implicates structural changes to an 'open' form. , Acta Crystallographica Section D - Biological Crystallography 59 (2003), p. 815-822
doi: 10.1107/s0907444903004025

MX 14.2