MX-14-2

Macromolecular Crystallography 14.2

Publikationen

2018

Nakajima, R.; Nováková, Z.; Tueckmantel, W.; Motlová, L.; Barinka, C.; Kozikowski, A.P.: 2-Aminoadipic Acid-C(O)-Glutamate Based Prostate-Specific Membrane Antigen Ligands for Potential Use as Theranostics. , ACS Medicinal Chemistry Letters 9 (2018), p. 1099-1104
doi:10.1021/acsmedchemlett.8b00318

Krause, S.; Evans, J.D.; Bon, V.; Senkovska, I.; Ehrling, S.; Stoeck, U.; Yot, P.G.; Iacomi, P.; Llewellyn, P.; Maurin, G.; Coudert, F.; Kaskel, S.: Adsorption Contraction Mechanics: Understanding Breathing Energetics in Isoreticular Metal-Organic Frameworks. , Journal of Physical Chemistry C 122 (2018), p. 19171-19179
doi:10.1021/acs.jpcc.8b04549

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

Dostál, J.; Brynda, J.; Blaha, J.; Machácek, S.; Heidingsfeld, O.; Pichová, I.: Crystal structure of carbonic anhydrase CaNce103p from the pathogenic yeast Candida albicans. , BMC Structural Biology 18 (2018), p. 14/1-11
doi:10.1186/s12900-018-0093-4

Pachl, P.; Skerlová, J.; Simcíková, D.; Kotik, M.; Krenková, A.; Mader, P.; Brynda, J.; Kapesová, J.; Kren, V.; Otwinowski, Z.; Rezáková, P.: Crystal structure of native -l-rhamnosidase from Aspergillus terreus. , Acta Crystallographica Section D - Biological Crystallography 74 (2018), p. 1078-1084
doi:10.1107/S2059798318013049

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

Schmidt, K.; Gardill, B.R.; Kern, A.; Kirchweger, P.; Börsch, M.; Muller, Y.A: Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein. , Proceedings of the National Academy of Sciences of the United States of America 115 (2018), p. 5744-5749
doi:10.1073/pnas.1716666115

Semsary, S.; Crnovcic, I.; Driller, R.; Vater, J.; Loll, B.; Keller, U.: Ketonization of Proline Residues in the Peptide Chains of Actinomycins by a 4-Oxoproline Synthase. , ChemBioChem 19 (2018), p. 706-715
doi:10.1002/cbic.201700666

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

Rostock, L.; Driller, R.; Grätz, S.; Kerwat, D.; von Eckardstein, L.; Petras, D.; Kunert, M.; Alings, C.; Schmitt, F.-J.; Friedrich, T.; Wahl, M.C.; Loll, B.; Mainz, A.; Süssmuth, R.D.: Molecular insights into antibiotic resistance - how a binding protein traps albicidin. , Nature Communications 9 (2018), p. 3095/1-13
doi:10.1038/s41467-018-05551-4

Adamkova, Kristýna: Monitoring of the interaction of zinc-dependent nuclease inhibitors using X-ray crystallography and biophysical methods. , University of Chemistry and Technology, Prague, 2018

Hanova, I.; Brynda, J.; Hobizalova, R.; Alam, N.; Sojka, D.; Kopacek, P.; Maresova, L.; Vondrasek, J.; Horn, M.; Schueler-Furman, O.; Mares, M.: Novel structural mechanism of allosteric regulation of aspartic peptidases via evolutionary conserved exosite. , Cell Chemistry Biology 25 (2018), p. 318-329
doi:10.1016/j.chembiol.2018.01.001

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

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

Maly, Martin: Structure analysis of oxidase:ligand complexes. , Czech Technical University, Prague, 2018

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

Pachl, P.; Simák, O.; Budesínský, M.; Brynda, J.; Rosenberg, I.; Rezácová, P.: Structure-Based Optimization of Bisphosphonate Nucleoside Inhibitors of Human 5(3)-deoxyribonucleotidases. , European Journal of Organic Chemistry 2018 (2018), p. 5144-5153
doi:10.1002/ejoc.201800515

Movsisyan, L.D.; Schäfer, E.; Nguyen, A.; Ehrmann, F.R.; Schwab, A.; Rossolini, T.; Zimmerli, D.; Wagner, B.; Daff, H.; Heine, A.; Klebe, G.; Diederich, F.: Sugar Acetonides are a Superior Motif for Addressing the Large, Solvent-Exposed Ribose-33 Pocket of tRNA-Guanine Transglycosylase. , Chemistry - A European Journal 24 (2018), p. 9957-9967
doi:10.1002/chem.201801756

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

Driller, R.; Janke, S.; Fuchs, M.; Warner, E.; Mhashal, A.R.; Major, D.T.; Christmann, M.; Brück, T.; Loll, B.: Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis. , Nature Communications 9 (2018), p. 3971/1-8
doi:10.1038/s41467-018-06325-8

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 115 (2018), p. E2229-E2237
doi:10.1073/pnas.1712267115

2017

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

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

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

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

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

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

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 429 (2017), p. 3606-3616
doi:10.1016/j.jmb.2017.10.002

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

Sviridova, E.; Rezacova, P.; Bondar, A.; Veverka, V.; Novak, P.; Schenk, G.; Svergun, D.I.; Smatanova, I.K.; Bumba, L.: Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis. , Scientific Reports 7 (2017), p. 40408/1-14
doi:10.1038/srep40408

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

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

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

Röwer, Karine; Weiss, Manfred S.: The expert MX data processing system XDSAPP. , Ninth Joint BER II and BESSY II User Meeting Berlin, 13.12.2017 - 15.12.2017 (2017)

Röwer, Karine; Schiebel, Johannes; Huschmann, Franziska; Heine, Andreas; Klebe, Gerhard; Mueller, Uwe; Weiss, Manfred S.: The expert system XDSAPP for data processing and fragment-screening. , 25th Annual Meeting of the German Crystallographic Society Karlsruhe, 27.03.2017 - 30.03.2017 (2017)

Röwer, Karine; Weiss, Manfred S.: The HZB Fragment-Screening Manager. , 20th Heart of Europe Biocrystallography Meeting Jelenia Góra, Poland, 28.09.2017 - 30.09.2017 (2017)

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

Röwer, Karine; Tjörnhammar, Richard; Lohkamp, Bernhard; Weiss, Manfred S.: X-ray crystallographic approaches to protein dynamics. , The Future of Structural Biology within the Röntgen-Ångström-Cluster Greifswald, 09.10.2017 - 10.10.2017 (2017)

2016

Sparta, Karine; Schiebel, Johannes; Huschmann, Franziska; Ühlein, Monika; Heine, Andreas; Klebe, Gerhard; Weiss, Manfred S.; Mueller, Uwe: Automated software solutions for fragment-screening at the HZB-MX beamlines. , 24th Annual Meeting of the German Crystallographic Association Stuttgart, 13.03.2016 - 17.03.2016 (2016)

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

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
doi:10.1111/febs.13761

Krossa, S.; Faust, A.; Ober, D.; Scheidig, A.J.: Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism. , Scientific Reports 6 (2016), p. 19501/1-21
doi:10.1038/srep19501

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
doi:10.1021/acs.biochem.5b00838

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
doi:10.1016/j.ijbiomac.2016.02.047

Novakova, Z.; Cerny, J.; Choy, C.J.; Nedrow, J.R.; Choi, J.K.; Lubkowski, J.; Berkman, C.E.; Barinka, C.: Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities. , FEBS Journal 283 (2016), p. 130-143
doi:10.1111/febs.13557

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
doi:10.1016/j.bpj.2015.12.033

He, C.; Ogata, H.; Lubitz, W.: Elucidation of the heme active site electronic structure affecting the unprecedented nitrite dismutase activity of the ferriheme b proteins, the nitrophorins. , Chemical Science 7 (2016), p. 5332-5340
doi:10.1039/c6sc01019a

Brezovsky, J.; Babkova, P.; Degtjarik, O.; Fortova, A.; Gora, A.; Iermak, I.; Rezacova, P.; Dvorak, P.; Smatanova, I.K.; Prokop, Z.; Chaloupkova, R.; Damborsky, J.: Engineering a de Novo Transport Tunnel. , ACS Catalysis 6 (2016), p. 7597-7610
doi:10.1021/acscatal.6b02081

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
doi:10.1021/acs.jmedchem.6b00645

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
doi:10.1016/j.str.2016.06.010

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
doi:10.1038/srep30443

Sparta, Karine; Weiss, Manfred S.: Macromolecular Crystallography at the Helmholtz-Zentrum Berlin. , Seminar Kristallographie Institut für Kristallographie, RWTH Aachen, 26.04.2016 - 26.04.2016 (2016)

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
doi:10.1111/febs.13723

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
doi:10.1186/s12977-015-0235-8

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
doi:10.1016/j.bmc.2016.07.053

Hinkes, S.; Wuttke, A.; Saupe, S.M.; Ivanova, T.; Wagner, S.; Knoerlein, A.; Heine, A.; Klebe, G.; Steinmetzer, T.: Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines. , Journal of Medicinal Chemistry 59 (2016), p. 6370-6386
doi:10.1021/acs.jmedchem.6b00606

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
doi:10.1038/srep19211

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
doi:10.1021/acs.jmedchem.6b01465

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
doi:10.1021/jacs.5b11079

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
doi:10.1021/acs.jmedchem.6b00660

Schiebel, J.; Radeva, N.; Krimmer, S.G.; Wang, X.; Stieler, M.; Ehrmann, F.R.; Fu, K.; Metz, A.; Huschmann, F.U.; Weiss, M.S.; Mueller, U.; Heine, A.; Klebe, G.: Six Biophysical Screening Methods Miss a Large Proportion of Crystallographically Discovered Fragment Hits: A Case Study. , ACS Chemical Biology 11 (2016), p. 1693-1701
doi:10.1021/acschembio.5b01034

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
doi:10.1016/j.bbalip.2016.08.002

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
doi:10.1007/s12250-016-3742-4

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
doi:10.1002/prot.25010

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
doi:10.1021/acs.jmedchem.6b00990

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
doi:10.1042/BSR20160089

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
doi:10.1021/acs.jmedchem.5b00909

Weiße, R.H.-J.; Faust, A.; Schmidt, M.; Schönheit, P.; Scheidig, A.J.: Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer. , Proceedings of the National Academy of Sciences of the United States of America 113 (2016), p. E519-E528
doi:10.1073/pnas.1518614113

Hagelueken, G.; Hoffmann, J.; Schubert, E.; Duthie, F.G.; Florin, N.; Konrad, L.; Imhof, D.; Behrmann, E.; Morgner, N.; Schiemann, O.: Studies on the X-Ray and Solution Structure of FeoB from Escherichia coli BL21. , Biophysical Journal 110 (2016), p. 2642-2650
doi:10.1016/j.bpj.2016.05.018

Sparta, Karine; Mueller, Uwe; Heinemann, Udo; Weiss, Manfred S.: The automated expert processing system XDSAPP. , 30th Meeting of the European Crystallographic Association Basel, 28.08.2016 - 01.09.2016 (2016)

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
doi:10.1074/jbc.M116.739136

Sparta, Karine; Weiss, Manfred S.: The expert data processing system XDSAPP. , 7th Joint Berlin MX Day Berlin, 28.09.2016 - 28.09.2016 (2016)

Röwer, Karine; Weiss, Manfred S.: The expert MX data processing system XDSAPP. , Eighth Joint BER II and BESSY II User Meeting Berlin, 07.12.2016 - 09.12.2016 (2016)

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
doi:10.1093/nar/gkv1513

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
doi:10.1039/C6CE01513A

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
doi:10.1039/C5DT03504J

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
doi:10.1021/acs.jmedchem.5b01806

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
doi:10.1002/ejic.201600261

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
doi:10.1261/rna.052399.115

Sparta, K.; Krug, M.; Heinemann, U.; Mueller, U.; Weiss, M.S.: XDSAPP 2.0. , Journal of Applied Crystallography 49 (2016), p. 1085-1092
doi:10.1107/S1600576716004416

2015

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
doi:10.1016/j.nucmedbio.2015.06.003

Stoeck, U.; Senkovska, I.; Bon, V.; Krause, S.; Kaskel, S.: Assembly of metal-organic polyhedra into highly porous frameworks for ethene delivery. , Chemical Communications 51 (2015), p. 1046-1049
doi:10.1039/c4cc07920e

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
doi:10.1107/S1399004715019392

Sparta, Karine; Schiebel, Johannes; Huschmann, Franziska; Ühlein, Monika; Heine, Andreas; Klebe, Gerhard; Heinemann, Udo; Weiss, Manfred S.; Mueller, Uwe: Automated software solutions for structural biology at the HZB MX beamlines. , Seventh Joint BER II and BESSY II User Meeting Adlershof, Berlin, 09.12.2015 - 11.12.2015 (2015)

Sparta, Karine; Schiebel, Johannes; Huschmann, Franziska; Ühlein, Monika; Heine, Andreas; Klebe, Gerhard; Weiss, Manfred S.; Mueller, Uwe: Automated solutions for fragment screening at the HZB MX beamlines. , 29th European Crystallographic Meeting Rovinj, Kroatien, 23.08.2015 - 28.08.2015 (2015)

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
doi:10.1016/j.ejmech.2015.07.049

Youn, S.; Kim, K.I.; Ptacek, J.; Ok, K.; Novakova, Z.; Kim, Y.H.; Koo, J.H.; Barinka, C.; Byun, Y.: Carborane-containing urea-based inhibitors of glutamate carboxypeptidase II: Synthesi87382s and structural characterization. , Bioorganic & Medicinal Chemistry Letters 25 (2015), p. 5232-5236
doi:10.1016/j.bmcl.2015.09.062

Helten, S.; Sahoo, B.; Bon, V.; Senkovska, I.; Kaskel, S.; Glorius, F.: Copolymerisation at work: the first example of a highly porous MOF comprising a triarylborane-based linker. , CrystEngComm 17 (2015), p. 307-312
doi:10.1039/c4ce01400f

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
doi:10.1016/j.str.2015.03.002

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
doi:10.1039/C5CP02180D

Sparta, Karine; Weiss, Manfred S.; Förster, Ronald; Gerlach, Martin; Hellmig, Michael; Huschmann, Franziska U.; Kastner, Alexandra; Malecki, Piotr; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Mueller, Uwe: Facilities for Macromolecular Crystallography at the HZB. , 3rd workshop of the Helmholtz Association „Cross Program Activity Structural Biology“ MDC, Berlin-Buch, 05.11.2015 - 06.11.2015 (2015)

Sparta, Karine; Mueller, Uwe; Weiss, Manfred S.; Ühlein, Monika; Huschmann, Franziska; Schiebel, Johannes; Heine, Andreas; Klebe, Gerhard; Heinemann, Udo: From data collection to ligand hits: XDSAPP and automated refinement pipeline. , 23. Jahrestagung der Deutschen Gesellschaft für Kristallographie Göttingen, 16.03.2015 - 19.03.2015 (2015)

Helten, S.; Sahoo, B.; Müller, P.; Janßen-Müller, D.; Klein, N.; Grünker, R.; Bon, V.; Glorius, F.; Kaskel, S.; Senkovska, I.: Functional group tolerance in BTB-based metal–organic frameworks (BTB – benzene-1,3,5-tribenzoate). , Microporous and Mesoporous Materials 216 (2015), p. 42-50
doi:10.1016/j.micromeso.2015.02.055

Grabowska, M.; Jagielska, E.; Czapinska, H.; Bochtler, M.; Sabala, I.: High resolution structure of an M23 peptidase with a substrate analogue. , Scientific Reports 5 (2015), p. 14833/1-8
doi:10.1038/srep14833

Ogata, H.; Nishikawa, K.; Lubitz, W.: Hydrogens detected by subatomic resolution protein crystallography in a [NiFe] hydrogenase. , Nature 520 (2015), p. 571–574
doi:10.1038/nature14110

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
doi:10.3109/14756366.2013.879577

Sparta, Karine; Huschmann, Franziska; Weiss, Manfred S.; Mueller, Uwe: Large scale facility research infrastructure for X-ray data collection at HZB. , Seminar Orvosi Biokémia Intézet, Semmelweis University, Budapest, Hungary, 18.12.2015 - 18.12.2015 (2015)

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
doi:10.1021/acs.jcim.5b00452

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
doi:10.1021/cm5045732

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 and Crystallization Communications 71 (2015), p. 1454-1458
doi:10.1107/S2053230X15020518

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

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

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

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

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

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 112 (2015), p. 10691-10696
doi:10.1073/pnas.1511167112

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

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. , European Physical Journal Plus 130 (2015), p. 141/1-10
doi:10.1140/epjp/i2015-15141-2

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

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

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

Genz, M.; Koehler, V.; Krauss, M.; Singer, D.; Hoffmann, R.; Ward, T.R.; Sträter, N.: An Artificial Imine Reductase based on the Ribonuclease S Scaffold. , ChemCatChem 6 (2014), p. 736-740
doi:10.1002/cctc.201300995

Hennig, S.E; Goetzl, S.; Jeoung, J.-H.; Bommer, M.; Lendzian, F.; Hildebrandt, P.; Dobbek, H.: ATP-induced electron transfer by redox-selective partner recognition. , Nature Communications 5 (2014), p. 4626/1-7
doi:10.1038/ncomms5626

Sparta, Karine; Mueller, Uwe; S.Weiss, Manfred; Heinemann, Udo: Automatic data processing using XDSAPP v1.0. , 22nd Annual Conference of the German Crystallographic Society Berlin, 17.03.2014 - 20.03.2014 (2014)

Seul, A.; Müller, J.J.; Andres, D.; Stettner, E.; Heinemann, U.; Seckler, R.: Bacteriophage P22 tailspike: structure of the complete protein and function of the interdomain linker. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1336-1345
doi:10.1107/S1399004714002685

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 111 (2014), p. 4227-4232
doi:10.1073/pnas.1402136111

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

Tziridis, A.; Rauh, D.; Neumann, P.; Kolenko, P.; Menzel, A.; Bräuer, U.; Ursel, C.; Steinmetzer, P.; Stürzebecher, J.; Schweinitz, A.; Steinmetzer, T.; Stubbs, M.T.: Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. , Biological Chemistry 395 (2014), p. 891-903
doi:10.1515/hsz-2014-0158

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

Wilk, P.; Jarmula, A.; Ruman, T.; Banaszak, K.; Rypniewski, W.; Ciesla, J.; Dowiercial, A.; Rode, W.: Crystal structure of phosphoramide-phosphorylated thymidylate synthase reveals pSer127, reflecting probably pHis to pSer phosphotransfer. , Bioorganic Chemistry 52 (2014), p. 44-49
doi:10.1016/j.bioorg.2013.11.003

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

Kloos, M.; Brüser, A.; Kirchberger, J.; Schöneberg, T.; Sträter, N.: Crystallization and preliminary crystallographic analysis of human muscle phosphofructokinase, the main regulator of glycolysis. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 70 (2014), p. 578-582
doi:10.1107/S2053230X14008723

Ogata, H.; Decaneto, E.; Grossman, M.; Havenith, M.; Sagi, I.; Lubitz, W.; Knipp, M.: Crystallization and preliminary X-ray crystallographic analysis of the catalytic domain of membrane type 1 matrix metalloproteinase. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 70 (2014), p. 232-235
doi:10.1107/S2053230X13034857

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

Weiss, Manfred S.; Förster, Ronald; Hellmig, Michael; Huschmann, Franziska; Kolibacz, Eric; Malecki, Piotr; Röwer, Martin; Sparta, Karine; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Mueller, Uwe: Facilities for Macromolecular Crystallography at the HZB. , Sixth Joint BER II and BESSY II User Meeting Berlin, 03.12.2014 - 05.12.2014 (2014)

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

Huschmann, Franziska; Förster, Ronald; Heine, Andreas; Hellmig, Michael; Klebe, Gerhard; Linnik, Jana; Malecki, Piotr; Metz, Alexander; Radeva, Nedyalka; Röwer, Martin; Schiebel, Johannes; Sparta, Karine; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Weiss, Manfred S.; Mueller, Uwe: Frag2Xtal: Fragment screening at the MX-beamlines of the Helmholtz-Zentrum Berlin. , Sixth Joint BER II and BESSY II User Meeting Berlin, 03.12.2014 - 05.12.2014 (2014)

Schiebel, Johannes; Radeva, Nedyalka; Franziska, Huschmann; Alexander, Metz; Park, Ahyoung; Ühlein, Monika; Sparta, Karine; Weiss, Manfred; Heine, Andreas; Mueller, Uwe; Klebe, Gerhard: Frag2Xtal: Lessons Learned from Crystallographic Fragment Screening. , Sixth Joint BER II and BESSY II User Meeting Berlin, 03.12.2014 - 05.12.2014 (2014)

Huschmann, F. U.; Ühlein, M.; Linnik, J.; Radeva, N.; Metz, A.; Sparta, K.; Schiebel, J.; Heine, A.; Klebe, G.; Weiss, M. S.; Mueller, U.: Fragment screening at the MX-beamlines of the Helmholtz-Zentrum Berlin. , HEC-17, 17th Heart-of-Europe Bio-Crystallography Meeting Berlin, 25.09.2014 - 27.09.2014 (2014)

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

Jakobi, S.; Nguyen, T.X.Ph.; Debaene, F.; Metz, A.; Sanglier-Cianferani, S.; Reuter, K.; Klebe, G.: Hot-spot analysis to dissect the functional protein-protein interface of a tRNA-modifying enzyme. , Proteins - Structure, Function and Bioinformatics 82 (2014), p. 2713-2732
doi:10.1002/prot.24637

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

Liebscher, S.; Schöpfel, M.; Aumüller, T.; Sharkhuukhen, A.; Pech, A.; Höss, E.; Parthier, C.; Jahreis, G.; Stubbs, M.T.; Bordusa, F.: N-Terminal Protein Modification by Substrate-Activated Reverse Proteolysis. , Angewandte Chemie - International Edition 53 (2014), p. 3024-3028
doi:10.1002/anie.201307736

Sparta, Karine; Mueller, Uwe; Weiss, Manfred S.; Heinemann, Udo: New advances in XDSAPP. , Sixth Joint BER II and BESSY II User Meeting Berlin, 03.12.2014 - 05.12.2014 (2014)

Sparta, Karine; Mueller, Uwe; Weiss, Manfred S.; Heinemann, Udo: New advances in XDSAPP, the expert GUI for automated diffraction data processing using XDS. , Fifth Joint Berlin MX-day Berlin, 15.10.2014 - 15.10.2014 (2014)

Karine, Sparta; Uwe, Mueller; Michael, Krug; Udo, Heinemann; Manfred S., Weiss: New advances in XDSAPP, the expert GUI for automated diffraction data processing using XDS. , 17th Heart-of-Europe Bio-Crystallography Meeting 2014 Berlin, 25.09.2014 - 27.09.2014 (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

Frielingsdorf, S.; Fritsch, J.; Schmidt, A.; Hammer, M.; Loewenstein, J.; Siebert, E.; Pelmenschikov, V.; Jaenicke, T.; Kalms, J.; Rippers, Y.; Lendzian, F.; Zebger, I.; Teutloff, C.; Kaupp, M.; Bittl, R.; Hildebrandt, P.; Friedrich, B.; Lenz, O.; Scheerer, P.: Reversible [4Fe-3S] cluster morphing in an O2-tolerant [NiFe] hydrogenas. , Nature Chemical Biology 10 (2014), p. 378-U92
doi:10.1038/nchembio.1500

Navratil, M.; Ptacek, J.; Sacha, P.; Starkova, J.; Lubkowski, J.; Barinka, C.; Konvalinka, J.: Structural and biochemical characterization of the folyl-poly-γ-L-glutamate hydrolyzing activity of human glutamate carboxypeptidase II. , FEBS Journal 281 (2014), p. 3228-3242
doi:10.1111/febs.12857

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

Bommer, M.; Kunze, C.; Fesseler, J.; Schubert, T.; Diekert, G.; Dobbek, H.: Structural basis for organohalide respiration. , Science 346 (2014), p. 455-458
doi:10.1126/science.1258118

Spindler, N.; Diestel, U.; Stump, J.D.; Wiegers, A.-K.; Winkler, T.H.; Sticht, H.; Mach, M.; Muller, Y.A.: Structural Basis for the Recognition of Human Cytomegalovirus Glycoprotein B by a Neutralizing Human Antibody. , PLoS Pathogens 10 (2014), p. e1004377/1-15
doi:10.1371/journal.ppat.1004377

Zahn, M.; Kieslich, B.; Berthold, N.; Knappe, D.; Hoffmann, R.; Sträter, N.: Structural Identification of DnaK Binding Sites within Bovine and Sheep Bactenecin Bac7. , Protein and Peptide Letters 21 (2014), p. 407-412
doi:10.2174/09298665113206660111

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

Olal, D.; Dick, A.; Woods, V.L.; Liu, T.; Li, S.; Devignot, S.; Weber, F.; Ollmann Saphire, E.; Daumke, O.: Structural insights into RNA encapsidation and helical assembly of the Toscana virus nucleoprotein. , Nucleic Acids Research 42 (2014), p. 6025-6037
doi:10.1093/nar/gku229

Ulrich, A.; Wahl, M.C.: Structure and evolution of the spliceosomal peptide-prolyl cis-trans isomerase Cwc27. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 3110-3123
doi:10.1107/S1399004714021695

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

Parthier, C.; Stelter, M.; Ursel, C.; Fandrich, U.; Lilie, H.; Breithaupt, C.; Stubbs, M.T.: Structure of the Toll-Spätzle complex, a molecular hub in Drosophila development and innate immunity. , Proceedings of the National Academy of Sciences of the United States of America 111 (2014), p. 6281-6286
doi:10.1073/pnas.1320678111

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

Eibl, C.; Hessenberger, M.; Wenger, J.; Brandstetter, H.: Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 2007-2018
doi:10.1107/S1399004714010311

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 426 (2014), p. 3272-3286
doi:10.1016/j.jmb.2014.07.021

Menzel, A.; Neumann, P.; Schwieger, C.; Stubbs, M.T.: Thermodynamic signatures in macromolecular interactions involving conformational flexibility. , Biological Chemistry 395 (2014), p. 905-911
doi:10.1515/hsz-2014-0177

Schiebel, Johannes; Radeva, Nedyalka; Park, Ahyoung; Köster, Helene; Craan, Tobias; Krug, Michael; Ühlein, Monika; Weiss, Manfred; Sparta, Karine; Heine, Andreas; Mueller, Uwe; Klebe, Gerhard: X-ray crystallography as gold standard of fragment screening. , 22nd Annual Conference of the German Crystallographic Society Berlin, 17.03.2014 - 20.03.2014 (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

Karine, Sparta; Uwe, Mueller; Manfred S., Weiss; Udo, Heinemann: XDSAPP for fragment screening experiments. , 6. HZB User Meeting Satellite Workshop “Fragment-Screening by Crystallography” Berlin, 03.12.2014 - 03.12.2014 (2014)

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

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

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 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
doi:10.1002/anie.201307583

He, C.; Nishikawa, K.; Erdem, O.F.; Reijerse, E.; Ogata, H.; Lubitz, W.; Knipp, M.: Complexes of ferriheme nitrophorin 4 with low-molecular weight thiol(ate)s occurring in blood plasma. , Journal of Inorganic Biochemistry 122 (2013), p. 38-48
doi:10.1016/j.jinorgbio.2013.01.012

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 110 (2013), p. 7217-7222
doi:10.1073/pnas.1302377110

Genz, M.; Singer, D.; Hey-Hawkins, E.; Hoffmann, R.; Sträter, N.: Crystal Structure of Apo- and Metalated Thiolate containing RNase S as Structural Basis for the Design of Artificial Metalloenzymes by Peptide-Protein Complementation. , Zeitschrift für Anorganische und Allgemeine Chemie 639 (2013), p. 2395-2400
doi:10.1002/zaac.201300410

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

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

Pietrzyk, A.J.; Bujacz, A.; Mueller-Dieckmann, J.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: Crystallographic identification of an unexpected protein complex in silkworm haemolymph. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 2353-2364
doi:10.1107/S0907444913021823

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

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

Degtjarik, O.; Chaloupkova, R.; Rezacova, P.; Kuty, M.; Damborsky, J.; Smatanova, I.K.: Differences in crystallization of two LinB variants from Sphingobium japonicum UT26. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 284-287
doi:10.1107/S1744309113002467

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

Barandun, L.J.; Immekus, F.; Kohler, P.C.; Ritschel, T.; Heine, A.; Orlando, P.; Klebe, G.; Diederich, F.: High-affinity inhibitors of Zymomonas mobilis tRNA-guanine transglycosylase through convergent optimization. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 1798-1807
doi:10.1107/S0907444913014509

Bon, V.; Senkovska, I.; Wallacher, D.; Többens, D.M.; Zizak, I.; Feyerherm, R.; Müller, 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. , Fifth Joint BER II and BESSY II User Meeting Berlin, 04.12.2013 - 06.12.2013 (2013)

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

Immekus, F.; Barandun, L.J.; Betz, M.; Debaene, F.; Petiot, S.; Sanglier-Cianferani, S.; Reuter, K.; Diederich, F.; Klebe, G.: Launching Spiking Ligands into a Protein Protein Interface: A Promising Strategy To Destabilize and Break Interface Formation in a tRNA Modifying Enzyme. , ACS Chemical Biology 8 (2013), p. 1163-1178
doi:10.1021/cb400020b

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

Dautel, Philipp Stephan Gunnar: Oligomerisierungszustände und RNA-Bindungseigenschaften des Matrix Protein der Bornaschen Krankheit und ihr Einfluss auf die virale Infektiösität. , Dissertation: Universität Halle-Wittenberg, 2013

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

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 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

Stieler, M.; Weber, J.; Hils, M.; Kolb, P.; Heine, A.; Buechold, C.; Pasternack, R.; Klebe, G.: Structure of Active Coagulation Factor XIII Triggered by Calcium Binding: Basis for the Design of Next-Generation Anticoagulants. , Angewandte Chemie - International Edition 52 (2013), p. 11930-11934
doi:10.1002/anie.201305133

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 110 (2013), p. 2094-2098
doi:10.1073/pnas.1218303110

Bräuer, Ulrike: Strukturelle Untersuchungen der 4-Curamat: Coenzym A Ligase 1 und der Aminotransferase LivB. , Dissertation: Universität Halle-Wittenberg, Germany, 2013

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 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

Krug, U.; Totzauer, R.; Zebisch, M.; Strater, N.: The ATP/ADP Substrate Specificity Switch between Toxoplasma gondii NTPDase1 and NTPDase3 is Caused by an Altered Mode of Binding of the Substrate Base. , ChemBioChem 14 (2013), p. 2292-2300
doi:10.1002/cbic.201300441

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 110 (2013), p. 12625-12630
doi:10.1073/pnas.1302144110

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

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

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

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

Neumann, Piotr; Brodhun, Florian; Sauer, Kristin; Herrfurth, Cornelia; Hamberg, Mats; Brinkmann, Jens; Scholz, Julia; Dickmanns, Achim; Feussner, Ivo; Ficner, Ralf: Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity. , Plant Physiology 160 (2012), p. 1251-1266
doi:10.1104/pp.112.205138

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

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 415 (2012), p. 288-306
doi:10.1016/j.jmb.2011.10.050

Mueller, Uwe: Data processing with XDSAPP. , 20. Jahrestagung der Deutschen Gesellschaft für Kristallographie DGK München, 12.03.2012 - 15.03.2012 (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

Mueller, Uwe: Facilites for macromolecular crystallography at HZB. , Swedish biostructure meeting 2012 Tällberg, Schweden, 15.06.2012 - 18.06.2012 (2012)

Mueller, Uwe: Facilites for macromolecular crystallography at HZB. , Instrumentation and Methods Development for Synchrotron-based Biomedical Research DESY, Hamburg, 15.05.2012 - 15.05.2012 (2012)

Mueller, Uwe: Facilites for macromolecular crystallography at HZB. , Besuch Canadian Light Source Saskatoon, 05.11.2012 - 06.11.2012 (2012)

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

Eibl, C.; Grigoriu, S.; Hessenberger, M.; Wenger, J.; Puehringer, S.; Pinheiro, A.S.; Wagner, R.N.; Proell, M.; Reed, J.C.; Page, R.; Diederichs, K.; Peti, W.: Structural and Functional Analysis of the NLRP4 Pyrin Domain. , Biochemistry 51 (2012), p. 7330-7341
doi:10.1021/bi3007059

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

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

Gedrich, K.; Heitbaum, M.; Notzon, A.; Senkovska, I.; Froehlich, R.; Getzschmann, J.; Mueller, U.; Glorius, F.; Kaskel, S.: A Family of Chiral Metal-Organic Frameworks. , Chemistry - A European Journal 17 (2011), p. 2099-2106
doi:10.1002/chem.201002568

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

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

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

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

Gourdon, P.; Liu, X.-Y.; Skjorringe, T.; Morth, J.P.; Moller, L.B.; Pedersen, B.P.; Nissen, P.: Crystal structure of a copper-transporting PIB-type ATPase. , Nature 475 (2011), p. 59-65
doi:10.1038/nature10191

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

Lunelli, M.; Hurwitz, R.; Lambers, J.; Kolbe, M.: Crystal Structure of PrgI-SipD: Insight into a Secretion Competent State of the Type Three Secretion System Needle Tip and its Interaction with Host Ligands. , PLoS Pathogens 7 (2011), p. e1002163/1-12
doi:10.1371/journal.ppat.1002163

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

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 406 (2011), p. 92-105
doi:10.1016/j.jmb.2010.11.048

Koharyova, M.; Brynda, J.; Rezacova, P.; Kollarova, M.: Crystallization and diffraction analysis of thioredoxin reductase from Streptomyces coelicolor. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 917-921
doi:10.1107/S1744309111021385

Stsiapanava, A.; Chaloupkova, R.; Fortova, A.; Brynda, J.; Weiss, M.S.; Damborsky, J.; Kuta Smatanova, I.: Crystallization and preliminary X-ray diffraction analysis of the wild-type haloalkane dehalogenase DhaA and its variant DhaA13 complexed with different ligands. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 253-257
doi:10.1107/S1744309110051286

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

Christoffersen, C.; Obinata, H.; Kumaraswamy, S.B.; Galvani, S.; Ahnström, J.; Sevvana, M.; Egerer-Sieber, C.; Muller, Y.A.; Hla, T.; Nielsen, L.B.; Dahlbäck, B.: Endothelium-protective sphingosine-1-phosphate provided by Hdl-associated apolipoprotein M. , Proceedings of the National Academy of Sciences of the United States of America 108 (2011), p. 9613-9618
doi:10.1073/pnas.1103187108

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

Schulze Wischeler, J.; Heine, A.; Klebe, G.: Introduction of an Artificial Cu Binding Site at the Surface of CA II: Pitfalls of Rational Design Finally Scooped by Serendipity. , Current Chemical Biology 5 (2011), p. 1-8
doi:10.2174/2212796811105010001

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

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

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

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

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

Kuester, M.; Kemmerzehl, S.; Dahms, S.O.; Roeser, D.; Than, M.E.: The Crystal Structure of Death Receptor 6 (DR6): A Potential Receptor of the Amyloid Precursor Protein (APP). , Journal of Molecular Biology 409 (2011), p. 189-201
doi:10.1016/j.jmb.2011.03.048

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. , 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

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

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

Cox, N.; Ogata, H.; Stolle, P.; Reijerse, E.; Auling, G.; Lubitz, W.: A Tyrosyl-Dimanganese Coupled Spin System is the Native Metalloradical Cofactor of the R2F Subunit of the Ribonucleotide Reductase of Corynebacterium ammoniagenes. , Journal of the American Chemical Society 132 (2010), p. 11197-11213
doi:10.1021/ja1036995

Schulze Wischeler, J.; Innocenti, A.; Vullo, D.; Agrawal, A.; Cohen, S.M.; Heine, A.; Supuran, C.T.; Klebe, G.: Bidentate Zinc chelators for α-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry. , ChemMedChem 5 (2010), p. 1609-1615
doi:10.1002/cmdc.201000200

Lokareddy, R.K.; Lunelli, M.; Eilers, B.; Wolter, V.; Kolbe, M.: Combination of Two Separate Binding Domains Defines Stoichiometry between Type III Secretion System Chaperone IpgC and Translocator Protein IpaB. , Journal of Biological Chemistry 285 (2010), p. 39965-39975
doi:10.1074/jbc.M110.135616

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

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 403 (2010), p. 371-385
doi:10.1016/j.jmb.2010.07.055

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

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 404 (2010), p. 874-889
doi:10.1016/j.jmb.2010.10.016

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 397 (2010), p. 709-723
doi:10.1016/j.jmb.2010.01.054

Kovarova, Z.; Chmelar, J.; Sanda, M.; Brynda, J.; Mares, M.; Rezacova, P.: Crystallization and diffraction analysis of the serpin IRS-2 from the hard tick Ixodes ricinus. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 1453-1457
doi:10.1107/S1744309110032343

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

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 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 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

Meyer, D.; Neumann, P.; Parthier, C.; Friedemann, R.; Nemeria, N.; Jordan, F.; Tittmann, K.: Double Duty for a Conserved Glutamate in Pyruvate Decarboxylase: Evidence of the Participation in Stereoelectronically Controlled Decarboxylation and in Protonation of the Nascent Carbanion/Enamine Intermediate. , Biochemistry 49 (2010), p. 8197-8212
doi:10.1021/bi100828r

He, C.; Ogata, H.; Knipp, M.: Formation of the Complex of Nitrite with the Ferriheme b β-Barrel Proteins Nitrophorin 4 and Nitrophorin 7. , Biochemistry 49 (2010), p. 5841-5851
doi:10.1021/bi100324z

Englert, L.; Silber, K.; Steuber, H.; Brass, S.; Over, B.; Gerber, H.-D.; Heine, A.; Diederich, W.E.; Klebe, G.: Fragment-Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition. , ChemMedChem 5 (2010), p. 930-940
doi:10.1002/cmdc.201000084

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
doi:10.1515/BC.2010.130

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
doi:10.1021/ic9022085

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
doi:10.1107/S174430911001537X

Ogata, H.; Shomura, Y.; Agrawal, A.G.; Kaur, A.P.; Gärtner, W.; Higuchi, Y.; Lubitz, W.: Purification, crystallization and preliminary X-ray analysis of the dissimilatory sulfite reductase from Desulfovibrio vulgaris Miyazaki F. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 1470-1472
doi:10.1107/S1744309110033191

Pechstein, A.; Bacetic, J.; Vahedi-Faridi, A.; Gromova, K.; Sundborger, A.; Tomlin, N.; Krainer, G.; Vorontsova, O.; Schäfer, J.G.; Owe, S.G.; Cousin, M.A.; Saenger, W.; Shupliakov, O.; Haucke, V.: Regulation of synaptic vesicle recycling by complex formation between intersectin 1 and the clathrin adaptor complex AP2. , Proceedings of the National Academy of Sciences of the United States of America 107 (2010), p. 4206-4211
doi:10.1073/pnas.0911073107

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

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

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

Ogata, H.; Kellers, P.; Lubitz, W.: The Crystal Structure of the [NiFe] Hydrogenase from the Photosynthetic Bacterium Allochromatium vinosum: Characterization of the Oxidized Enzyme (Ni-A State). , Journal of Molecular Biology 402 (2010), p. 428-444
doi:10.1016/j.jmb.2010.07.041

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

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

Prudnikova, T.; Mozga, T.; Rezacova, P.; Chaloupkova, R.; Sato, Y.; Nagata, Y.; Brynda, J.; Kuty, M.; Damborsky, J.; Smatanova, I.K.: Crystallization and preliminary X-ray analysis of a novel haloalkane dehalogenase DbeA from Bradyrhizobium elkani USDA94. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 65 (2009), p. 353-356
doi:10.1107/S1744309109007039

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

MX-14-2