MX-14-1

Macromolecular Crystallography 14.1

Publications

2019

Brangulis, K.; Akopjana, I.; Kazaks, A.; Tars, K.: Crystal structure of the N-terminal domain of the major virulence factor BB0323 from the Lyme disease agent Borrelia burgdorferi. , Acta Crystallographica Section D - Biological Crystallography 75 (2019), p. 825-830
doi:10.1107/S2059798319010751

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
doi:10.1126/scisignal.aav4203

Anandapadamanaban, M.; Kyriakidis, N.C.; Csizmok, V.; Wallenhammar, A.; Espinosa, A.C.; Ahlner, A.; Round, A.R.; Trewhella, J.; Moche, M.; Wahren-Herlenius, M.; Sunnerhagen, M.: E3 ubiquitin-protein ligase TRIM21-mediated lysine capture by UBE2E1 reveals substrate-targeting mode of a ubiquitin-conjugating E2. , Journal of Biological Chemistry 294 (2019), p. 11404-11419
doi:10.1074/jbc.RA119.008485

Kasaragod, V.B.; Hausrat, T.J.; Schaefer, N.; Kuhn, M.; Christensen, N.R.; Tessmer, I.; Maric, H.M.; Madsen, K.L.; Sotriffer, C.; Villmann, C.; Kneussel, M.; Schindelin, H.: Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins. , Neuron 101 (2019), p. 673-689
doi:10.1016/j.neuron.2019.01.001

Wagner, A.; Le, T.A.; Brennich, M.; Klein, P.; Bader, N.; Diehl, E.; Paszek, D.; Weickhmann, A.K.; Dirdjaja, N.; Krauth-Siegel, R.L.; Engels, B.; Opatz, T.; Schindelin, H.; Hellmich, U.A.: Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. , Angewandte Chemie 58 (2019), p. 3640-3644
doi:10.1002/anie.201810470

Gabdulkhakov, A.; Kolyadenko, I.; Kostareva, O.; Mikhaylina, A.; Oliveira, P.; Tamagnini, P.; Lisov, A.; Tishchenko, S.: Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase from Streptomyces griseoflavus Ac-993. , International Journal of Molecular Sciences 20 (2019), p. 3184/1-13
doi:10.3390/ijms20133184

Nishimura, K.; Dioguardi, E.; Nishio, S.; Villa, A.; Han, L.; Matsuda, T.; Jovine, L.: Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility. , Nature Communications 10 (2019), p. 3086/1-15
doi:10.1038/s41467-019-10931-5

Kudryakova, I.V.; Gabdulkhakov, A.G.; Tishchenko, S.V.; Afoshin, A.S.; Vasilyeva, N.V.: Serine bacteriolytic protease L1 of Lysobacter sp. XL1 complexed with protease inhibitor AEBSF: features of interaction. , Process Biochemistry 80 (2019), p. 89-94
doi:10.1016/j.procbio.2019.02.013

Ge, C.; Xu, B.; Liang, B.; Lonnblom, E.; Lundstrom, S.L.; Zubarev, R.A.; Ayoglu, B.; Skogh, T.; Kastbom, A.; Malmstrom, V.; Klareskog, L.; Toes, R.E.M.; Rispens, T.; Dobritzsch, D.; Holmdahl, R.: Structural basis of cross-reactivity of anti-citrullinated protein antibodies. , Arthritis & Rheumatology 71 (2019), p. 210-221
doi:10.1002/art.40698

Koval, T.; Svecova, L.; Ostergaard, L.H.; Skalova, T.; Duskova, J.; Hasek, J.; Kolenko, P.; Fejfarova, K.; Stransky, J.; Trundova, M.; Dohnalek, J.: Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer. , Scientific Reports 9 (2019), p. 13700/1-13
doi:10.1038/s41598-019-50105-3

2018

Psenakova, K.; Petrvalska, O.; Kylarova, S.; Lentini Santo, D.; Kalabova, D.; Herman, P.; Obsilova, V.; Obsil, T.: 14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2). , Biochimica et Biophysica Acta - General Subjects 1862 (2018), p. 1612-1625
doi:10.1016/j.bbagen.2018.04.006

Karlberg, T.; Hornyak, P.; Pinto, A.F.; Milanova, S.; Ebrahimi, M.; Lindberg, M.; Püllen, N.; Nordström, A.; Löverli, E.; Caraballo, R.; Wong, E.V.; Näreoja, K.; Thorsell, A.G.; Elofsson, M.; De La Cruz, E.M.; Björkegren, C.; Schüler, H.: 14-3-3 proteins activate Pseudomonas exotoxins-S and -T by chaperoning a hydrophobic surface. , Nature Communications 9 (2018), p. 378/1-11
doi:10.1038/s41467-018-06194-1

Wojtczak, B.A.; Sikorski, P.J.; Fac-Dabrowska, K.; Nowicka, A.; Warminski, M.; Kubacka, D.; Nowak, E.; Nowotny, M.; Kowalska, J.; Jemielity, J.: 5 '-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes. , Journal of the American Chemical Society 140 (2018), p. 5987-5999
doi:10.1021/jacs.8b02597

Tokarz, P.; Wisniewska, M.; Kaminski, M.; Dubin, G.; Grundnik, P.: Crystal structure of ADP-dependent glucokinase from Methanocaldococcus jannaschii in complex with 5-iodotubercidin reveals phosphoryl transfer mechanism. , Protein Science 27 (2018), p. 790-797
doi:10.1002/pro.3377

Gustafsson, R.; Zhang, S.; Masuyer, G.; Dong, M.; Stenmark, P.: Crystal Structure of Botulinum Neurotoxin A2 in Complex with the Human Protein Receptor SV2C Reveals Plasticity in Receptor Binding. , Toxins 10 (2018), p. 153/1-16
doi:10.3390/toxins10040153

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

Balaev, V.V.; Prokofev, I.I.; Gabdoulkhakov, A.G.; Betzel, C; Lashkov, A.A.: Crystal structure of pyrimidine-nucleoside phosphorylase from Bacillus subtilis in complex with imidazole and sulfate. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 74 (2018), p. 193-197
doi:10.1107/S2053230X18002935

Czyrko, J.; Jaskolski, M.; Brzezinski, K.: Crystal Structure of S-adenosyl-L-homocysteine Hydrolase from Cytophaga hutchinsonii, a Case of Combination of Crystallographic and Non-crystallographic Symmetry. , Croatica Chemica Acta 91 (2018), p. 153-162
doi:10.5562/cca3345

Brangulis, K.; Akopjana, I.; Petrovskis, I.; Kazaks, A.; Kraiczy, P.; Tars, K.: Crystal structure of the membrane attack complex assembly inhibitor BGA71 from the Lyme disease agent Borrelia bavariensis. , Scientific Reports 8 (2018), p. 11286
doi:10.1038/s41598-018-29651-9

Schmitt, A.; Hamann, F.; Neumann, P.; Ficner, R.: Crystal structure of the spliceosomal DEAH-box ATPase Prp2. , Acta Crystallographica Section D - Biological Crystallography 74 (2018), p. 643-654
doi:10.1107/S2059798318006356

Narwal, M.; Jemth, A.-S.; Gustafsson, R.; Almlöf, I.; Warpman Berglund, U.; Helleday, T.; Stenmark, P.: Crystal Structures and Inhibitor Interactions of Mouse and Dog MTH1 Reveal Species-Specific Differences in Affinity. , Biochemistry 57 (2018), p. 593-603
doi:10.1021/acs.biochem.7b01163

Szabo, E.; Mizsei, R.; Wilk, P.; Zambo, Z.; Torocsik, B.; Weiss, M.; Adam-Vizi, V.; Ambrus, A.: Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase. , Free Radical Biology and Medicine 124 (2018), p. 214-220
doi:10.1016/j.freeradbiomed.2018.06.008

Jurk, C; Roske, Y; Heinemann, U: Crystal structures of the single PDZ domains from GRASP65 and their interaction with the golgin GM130. , Croatica Chemica Acta 91 (2018), p. 255-264
doi:10.5562/cca3341

Dolot, R.; Lam, C.H.; Sierant, M.; Zhao, Q.; Liu, F.W.; Nawrot, B.; Egli, M.; Yang, X.: Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity. , Nucleic Acids Research 46 (2018), p. 4819-4830
doi:10.1093/nar/gky268

Doehler, C.; Zebisch, M.; Krinke, D.; Robitzki, A.; Straeter, N.: Crystallization of ectonucleotide phosphodiesterase/pyrophosphatase-3 and orientation of the SMB domains in the full-length ectodomain. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 74 (2018), p. 696-703
doi:10.1107/S2053230X18011111

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

Williamson, A.; Grgic, M.; Leiros, H.-K.: DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases. , Nucleic Acids Research 1 (2018), p. gky622/8616–8629
doi:10.1093/nar/gky622

Pinto, A.; El Ali, Z.; Moniot, S.; Tamborini, L.; Steegborn, C.; Foresti, R.; De Micheli, C.: Effects of 3-Bromo-4,5-dihydroisoxazole Derivatives on Nrf2 Activation and Heme Oxygenase-1 Expression. , ChemistryOpen 7 (2018), p. 858-864
doi:10.1002/open.201800185

Behrens, C.; Biela, I.; Petiot-Bécard, S.; Botzanowski, T.; Cianférani, S.; Sager, C.P.; Klebe, G.; Heine, A.; Reuter, K.: Homodimer Architecture of QTRT2, the Noncatalytic Subunit of the Eukaryotic tRNA-Guanine Transglycosylase. , Biochemistry 57 (2018), p. 3953-3965
doi:10.1021/acs.biochem.8b00294

Carter, M.; Jemth, A.-S.; Carreras-Puigvert, J.; Herr, P.; Martínez Carranza, M.; Vallin, K.S.A.; Throup, A.; Helleday, T.; Stenmark, P.: Human NUDT22 Is a UDP-Glucose/Galactose Hydrolase Exhibiting a Unique Structural Fold. , Structure 26 (2018), p. 295-303.e6
doi:10.1016/j.str.2018.01.004

Plavsa, J.J.; Rezacova, P.; Kugler, M.; Pachl, P.; Brynda, J.; Voburka, Z.; Celic, A.; Petri, E.T; Skerlova, J.: In situ proteolysis of an N-terminal His tag with thrombin improves the diffraction quality of human aldo-keto reductase 1C3 crystals. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 74 (2018), p. 300-306
doi:10.1107/S2053230X18005721

Gabdulkhakov, A.G.; Kostareva, O.S; Kolyadenko, I.A.; Mikhaylina, A.O.; Trubitsina, L.I.; Tishchenko, S.V.: Incorporation of Copper Ions into T2/T3 Centers of Two-Domain Laccases. , Molecular Biology 52 (2018), p. 23-29
doi:10.1134/S0026893318010041

Schiebel, J.; Gaspari, R.; Wulsdorf, T.; Ngo, K.; Sohn, C.; Schrader, T.; Cavalli, A.; Ostermann, A.; Heine, A.; Klebe, G.: Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. , Nature Communications 9 (2018)
doi:10.1038/s41467-018-05769-2

Teixeira, P.T.; Masuyer, G.; Pinho, C.M.; Branca, R.M.M.; Kmiec, B.; Wallin, C.; Wärmländer, S.K.T.S.; Berntsson, R.P.A.; Ankarcrona, M.; Gräslund, A.; Lehtiö, J.; Stenmark, P.; Glaser, E.: Mechanism of Peptide Binding and Cleavage by the Human Mitochondrial Peptidase Neurolysin. , Journal of Molecular Biology 430 (2018), p. 348-362
doi:10.1016/j.jmb.2017.11.011

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

Jemth, A.; Gustafsson, R.; Bräutigam, L.; Henriksson, L.; Vallin, K.S.A.; Sarno, A.; Almlöf, I.; Homan, E.; Rasti, A.; Warpman Berglund, U.; Stenmark, P.; Helleday, T.: MutT homologue 1 (MTH1) catalyzes the hydrolysis of mutagenic O6-methyl-dGTP. , Nucleic Acids Research 46 (2018), p. 10888-10904
doi:10.1093/nar/gky896

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

Tröster, A.; Heinzlmeir, S.; Berger, B.; Gande, S.; Saxena, K.; Sreeramulu, S.; Linhard, V.; Nasiri, A.; Bolte, M.; Müller, S.; Kuster, B.; Médard, G.; Kudlinzki, D.; Schwalbe, H.: NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. , ChemMedChem 13 (2018), p. 1629-1633
doi:10.1002/cmdc.201800398

Wienen-Schmidt, B.; Wulsdorf, T.; Jonker, H.R.A.; Saxena, K.; Kudlinzki, D.; Linhard, V.; Sreeramulu, S.; Heine, A.; Schwalbe, H.; Klebe, G.: On the implication of water on fragment-to-ligand growth in kinase binding thermodynamics. , ChemMedChem 13 (2018), p. 1988-1996
doi:10.1002/cmdc.201800438

Wienen-Schmidt, B.; Jonker, H.R.A.; Wulsdorf, T.; Gerber, H.-D.; Saxena, K.; Kudlinzki, D.; Sreeramulu, S.; Parigi, G.; Luchinat, C.; Heine, A.; Schwalbe, H.; Klebe, G.: Paradoxically, Most Flexible Ligand Binds Most Entropy-Favored: Intriguing Impact of Ligand Flexibility and Solvation on Drug-Kinase Binding. , Journal of Medicinal Chemistry 61 (2018), p. 5922-5933
doi:10.1021/acs.jmedchem.8b00105

Kalbas, D.; Liebscher, S.; Nowak, T.; Meleshin, M.; Pannek, M.; Popp, C.; Alhalabi, Z.; Bordusa, F.; Sippl, W.; Steegborn, C.; Schutkowski, M.: Potent and Selective Inhibitors of Human Sirtuin 5. , Journal of Medicinal Chemistry 61 (2018), p. 2460-2471
doi:10.1021/acs.jmedchem.7b01648

Hnizda, A.; Fabry, M.; Moriyama, T.; Pachl, P.; Kugler, M.; Brinsa, V.; Ascher, D.; Carroll, W.; Novak, P.; Zaliova, M.; Trka, J.; Rezacova, P.; Yang, J.; Veverka, V.: Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation. , Leukemia 32 (2018), p. 1393-1403
doi:10.1038/s41375-018-0073-5

Lorenzen, J.; Driller, R.; Waldow, A.; Qoura, F.; Loll, B.; Brück, T.: Rhodococcus erythropolis Oleate Hydratase: a New Member in the Oleate Hydratase Family TreeBiochemical and Structural Studies. , ChemCatChem 10 (2018), p. 407-414
doi:10.1002/cctc.201701350

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

Kunstmann, S.; Gohlke, U.; Broeker, N.K.; Roske, Y.; Heinemann, U.; Santer, M.; Barbirz, S.: Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site. , Journal of the American Chemical Society 140 (2018), p. 10447-10455
doi:10.1021/jacs.8b03719

Razew, M.; Warkocki, Z.; Taube, M.; Kolondra, A.; Czarnocki-Cieciura, M.; Nowak, E.; Labedzka-Dmoch, K.; Kawinska, A.; Piatkowski, J.; Golik, P.; Kozak, M.; Dziembowski, A.; Nowotny, M.: Structural analysis of mtEXO mitochondrial RNA degradosome reveals tight coupling of nuclease and helicase components. , Nature Communications 9 (2018), p. 97/1-12
doi:10.1038/s41467-017-02570-5

Han, X.; Sun, R.; Sandalova, T.; Achour, A.: Structural and functional studies of Spr1654: an essential aminotransferase in teichoic acid biosynthesis in Streptococcus pneumoniae. , Open Biology 8 (2018), p. 170248/1-12
doi:10.1098/rsob.170248

Grabarczyk, D.; Silkenat, S.; Kisker, C.: Structural Basis for the Recruitment of Ctf18-RFC to the Replisome. , Structure 26 (2018), p. 137-144
doi:10.1016/j.str.2017.11.004

Ming, Q.; Roske, Y.; Schuetz, A.; Walentin, K.; Ibraimi, I.; Schmidt-Ott, K.M.; Heinemann, U.: Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family. , Nucleic Acids Research 46 (2018), p. 2082-2095
doi:10.1093/nar/gkx1299

You, W.; Steegborn, C.: Structural Basis of Sirtuin 6 Inhibition by the Hydroxamate Trichostatin A: Implications for Protein Deacylase Drug Development. , Journal of Medicinal Chemistry 61 (2018), p. 10922-10928
doi:10.1021/acs.jmedchem.8b01455

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

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

Braun, F.; Bertoletti, N.; Möller, G.; Adamski, J.; Frotscher, M.; Guragossian, N.; Madeira Gírio, P.A.; Le Borgne, M.; Ettouati, L.; Falson, P.; Müller, S.; Vollmer, G.; Heine, A.; Klebe, G.; Marchais-Oberwinkler, S.: Structure-based design and profiling of novel 17ß-HSD14 inhibitors. , European Journal of Medicinal Chemistry 155 (2018), p. 61-76
doi:10.1016/j.ejmech.2018.05.029

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

Page, B.D.G.; Valerie, N.C.K.; Wright, R.H.G.; Wallner, O.; Isaksson, R.; Carter, M.; Rudd, S.G.; Loseva, O.; Jemth, A.-S.; Almlöf, I.; Font-Mateu, J.; Llona-Minguez, S.; Baranczewski, P.; Jeppsson, F.; Homan, E.; Almqvist, H.; Axelsson, H.; Regmi, S.; Gustavsson, A.-L.; Lundbäck, T; Scobie, M; Strömberg, K; Stenmark, P; Beato, M; Helleday, T: Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. , Nature Communications 9 (2018), p. 250/1-14
doi:10.1038/s41467-017-02293-7

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

Dahms, S.O.; Hardes, K.; Steinmetzer, T.; Than, M.E.: X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket. , Biochemistry 57 (2018), p. 925-934
doi:10.1021/acs.biochem.7b01124

2017

Twarda-Clapa, A.; Krzanik, S.; Kubica, K.; Guzik, K.; Labuzek, B.; Neochoritis, C.G.; Khoury, K.; Kowalska, K.; Czub, M.; Dubin, G.; Domling, A.; Skalniak, L.; Holak, T.A.: 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers. , Journal of Medicinal Chemistry 60 (2017), p. 4234-4244
doi:10.1021/acs.jmedchem.7b00104

Ticha, A.; Stanchev, S.; Vinothkumar, K.; Mikles, D.; Pachl, P.; Svehlova, K.; Nguyen, M.; Verhelst, S.; Johnson, D.; Bachovchin, D.; Majer, P.; Strisovsky, K.: A modular and generalizable route to potent, selective and pharmacologically compliant inhibitors of rhomboid proteases. , FEBS Journal 24 (2017), p. 1523-1536.e4
doi:10.1016/j.chembiol.2017.09.007

Bock, T.; Luxenburger, E.; Hoffmann, J.; Schütza, V.; Feiler, C.; Müller, R.; Blankenfeldt, W.: AibA/AibB Induces an Intramolecular Decarboxylation in Isovalerate Biosynthesis by Myxococcus xanthus. , Angewandte Chemie - International Edition 56 (2017), p. 9986-9989
doi:10.1002/anie.201701992

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

Nemchinova, M.; Balobanov, V.; Nikonova, E.; Lekontseva, N.; Mikhaylina, A.; Tishchenko, S.; Nikulin, A.: An Experimental Tool to Estimate the Probability of a Nucleotide Presence in the Crystal Structures of the Nucleotide-Protein Complexes. , The Protein Journal 36 (2017), p. 157-165
doi:10.1007/s10930-017-9709-y

Ge, C.; Tong, C.; Liang, D.; Lönnblom, B.; Schneider, E; Ayoglu, J.; Stawikowska, B.; Nilsson, R.; Fields, G.B.; Skogh, T.; Kastbom, T.; Kihlberg, A.; Burkhardt, J.; Dobritzsch, H.; Holmdahl, D.: Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage. , JCI Insight 2 (2017), p. 1-19
doi:10.1172/jci.insight.93688

Kiontke, S.; Langemeyer, L.; Kuhlee, A.; Schuback, S.; Raunser, S.; Ungermann, C.; Kümmel, D.: Architecture and mechanism of the late endosomal Rab7-like Ypt7 guanine nucleotide exchange factor complex Mon1-Ccz1. , Nature Communications 8 (2017), p. 14034/1-10
doi:10.1038/ncomms14034

Bouché, L.; Christ, C.D.; Siegel, S.; Fernández-Montalván, A.E.; Holton, S.J.; Fedorov, O.; Ter Laak, A.; Sugawara, T.; Stöckigt, D.; Tallant, C.; Bennett, J.; Monteiro, O.; Díaz-Sáez, L.; Siejka, P.; Meier, J.; Pütter, V.; Weiske, J.; Müller, S.; Huber, K.V.M.; Hartung, I.; Haendler, B.: Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. , Journal of Medicinal Chemistry 60 (2017), p. 4002-4022
doi:10.1021/acs.jmedchem.7b00306

Pannek, Martin: Biochemical and structural studies on the mitochondrial Sirtuins 4 and 5. , Universität Bayreuth, 2017

Heinzlmeir, S.; Lohse, J.; Treiber, T.; Kudlinzki, D.; Linhard, V.; Gande, S.L.; Sreeramulu, S.; Saxena, K.; Liu, X.; Wilhelm, M.; Schwalbe, H.; Kuster, B.; Medard, G.: Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. , ChemMedChem 12 (2017), p. 999-1011
doi:10.1002/cmdc.201700217

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

Witkowska, J.; Gizynska, M.; Grudnik, P.; Golik, P.; Karpowicz, P.; Gieldon, A.; Dubin, G.; Jankowska, E.: Crystal structure of a low molecular weight activator Blm-pep with yeast 20S proteasome - insights into the enzyme activation mechanism. , Scientific Reports 7 (2017), p. 6177/1-11
doi:10.1038/s41598-017-05997-4

Heilingloh, C.S.; Klingl, S.; Egerer-Sieber, C.; Schmid, B.; Weiler, S.; Mühl-Zürbes, P.; Hofmann, J.; Stump, J.D.; Sticht, H.; Kummer, M.; Steinkasserer, A.; Muller, Y.A.: Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83. , Journal of Molecular Biology 429 (2017), p. 1227-1243
doi:10.1016/j.jmb.2017.03.009

Rumnieks, Janis; Tars, Kaspars: Crystal Structure of the Maturation Protein from Bacteriophage Q beta. , Journal of Molecular Biology 429 (2017), p. 688-696
doi:10.1016/j.jmb.2017.01.012

Schuetz, A.; Radusheva, V.; Krug, S.M.; Heinemann, U.: Crystal structure of the tricellulin C-terminal coiled-coil domain reveals a unique mode of dimerization. , Annals of the New York Academy of Sciences 1405 (2017), p. 147-159
doi:10.1111/nyas.13408

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

Jarmula, A.; Wilk, P.; Maj, P.; Ludwiczak, J.; Dowiercial, A.; Banaszak, K.; Rypniewski, W.; Ciesla, J.; Dabrowska, M.; Fraczyk, T.; Bronowska, A.K.; Jakowiecki, J.; Filipek, S.; Rode, W.: Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS. , Journal of Molecular Graphics and Modelling 77 (2017), p. 33-50
doi:10.1016/j.jmgm.2017.08.008

Pannek, M.; Simic, Z.; Fuszard, M.; Meleshin, M.; Rotili, D.; Mai, A.; Schutkowski, M.; Steegborn, C.: Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features. , Nature Communications 8 (2017), p. 1513/1-13
doi:10.1038/s41467-017-01701-2

Moniot, S.; Forgione, M.; Lucidi, A.; Haihi, G.S.; Nebbioso, A.; Carafa, V.; Baratta, F.; Altucci, L.; Giacche, N.; Passeri, D.; Pellicciari, R.; Mai, A.; Steegborn, C.; Rotili, D.: Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity. , Journal of Medicinal Chemistry 60 (2017), p. 2344-2360
doi:10.1021/acs.jmedchem.6b01609

Quosdorf, S.; Schuetz, A.; Kolodziej, H.: Different Inhibitory Potencies of Oseltamivir Carboxylate, Zanamivir, and Several Tannins on Bacterial and Viral Neuraminidases as Assessed in a Cell-Free Fluorescence-Based Enzyme Inhibition Assay. , Molecules 22 (2017), p. 1989/1-18
doi:10.3390/molecules22111989

Misra, M.; Kuhn, M.; Löbel, M.; An, H.; Statsyuk, A.V.; Sotriffer, C.; Schindelin, H.: Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme. , Structure 25 (2017), p. 1120-1129.e3
doi:10.1016/j.str.2017.05.001

Spagnuolo, L.A.; Eltschkner, S.; Yu, W.; Daryaee, F.; Davoodi, S.; Knudson, S.E.; Allen, E.K.; Merino, J.; Pschibul, A.; Moree, B.; Thivalapill, N.; Truglio, J.J.; Salafsky, J.; Slayden, R.A.; Kisker, C.; Tonge, P.J.: Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. , Journal of the American Chemical Society 139 (2017), p. 3417-3429
doi:10.1021/jacs.6b11148

Rudling, A.; Gustafsson, R.; Almlöf, I.; Homan, E.; Scobie, M.; Warpman Berglund, U.; Helleday, T.; Stenmark, P.; Carlsson, J.: Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space. , Journal of Medicinal Chemistry 60 (2017), p. 8160-8169
doi:10.1021/acs.jmedchem.7b01006

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

Klima, M.; Chalupska, D.; Rozycki, B.; Humpolickova, J.; Rezabkova, L.; Silhan, J.; Baumlova, A.; Dubankova, A.; Boura, E.: Kobuviral Non-structural 3A Proteins Act as Molecular Harnesses to Hijack the Host ACBD3 Protein. , Structure 25 (2017), p. 219-230
doi:10.1016/j.str.2016.11.021

Newie, J.; Neumann, P.; Werner, M.; Mata, R.A.; Ficner, R.; Feussner, I.: Lipoxygenase 2 from Cyanothece sp controls dioxygen insertion by steric shielding and substrate fixation. , Scientific Reports 7 (2017), p. 2069/1-12
doi:10.1038/s41598-017-02153-w

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

Salazar, H.; Eibl, C.; Chebli, M.; Plested, A.: Mechanism of partial agonism in AMPA-type glutamate receptors. , Nature Communications 8 (2017), p. 14327/1-11
doi:10.1038/ncomms14327

Rajabi, N.; Auth, M.; Troelsen, K.R.; Pannek, M.; Bhatt, D.P.; Fontenas, M.; Hirschey, M.D.; Steegborn, C.; Madsen, A.S.; Olsen, C.A.: Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. , Angewandte Chemie - International Edition 56 (2017), p. 14836-14841
doi:10.1002/anie.201709050

Diederich, C.; Leypold, M.; Culka, M.; Weber, H.; Breinbauer, R.; Ullmann, G.M.; Blankenfeldt, W.: Mechanisms and Specificity of Phenazine Biosynthesis Protein PhzF. , Scientific Reports 7 (2017), p. 6272/1-13
doi:10.1038/s41598-017-06278-w

Boura, E.; Baumlova, A.; Chalupska, D.; Dubankova, A.; Klima, M.: Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography. , Protein Science 26 (2017), p. 1116-1123
doi:10.1002/pro.3162

Alblova, M.; Smidova, A.; Docekal, V.; Vesely, J.; Herman, P.; Obsilova, V.; Obsil, T.: Molecular basis of the 14-3-3 protein-dependent activation of yeast neutral trehalase Nth1. , Proceedings of the National Academy of Sciences of the United States of America 114 (2017), p. E9811-E9820
doi:10.1073/pnas.1714491114

Dowiercial, Anna; Jarmula, Adam; Wilk, Piotr; Rypniewski, Wojciech; Kowalska, Monika; Fraczyk, Tomasz; Ciesla, Joanna; Rode, Wojciech: Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme. , Structural Chemistry 28 (2017), p. 667-674
doi:10.1007/s11224-016-0840-8

Rydzik, A.M.; Warminski, M.; Sikorski, P.J.; Baranowski, M.R.; Walczak, S.; Kowalska, J.; Zuberek, J.; Lukaszewicz, M.; Nowak, E.; Claridge, T.D.W.; Darzynkiewicz, E.; Nowotny, M.; Jemielity, J.: mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation. , Nucleic Acids Research 45 (2017), p. 8661-8675
doi:10.1093/nar/gkx569

Cramer, J.; Krimmer, S.G.; Heine, A.; Klebe, G.: Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. , Journal of Medicinal Chemistry 60 (2017), p. 5791-5799
doi:10.1021/acs.jmedchem.7b00490

Edwardraja, S.; Eichinger, A.; Theobald, I.; Sommer, C.A.; Reichert, A.J.; Skerra, A.: Rational Design of an Anticalin-Type Sugar-Binding Protein Using a Genetically Encoded Boronate Side Chain. , ACS Sustainable Chemistry & Engineering 6 (2017), p. 2241-2247
doi:10.1021/acssynbio.7b00199

Neckles, C.; Eltschkner, S.; Cummings, J.E.; Hirschbeck, M.; Daryaee, F.; Bommineni, G.R.; Zhang, Z.; Spagnuolo, L.; Yu, W.; Davoodi, S.; Slayden, R.A.; Kisker, C.; Tonge, P.J.: Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. , Biochemistry 56 (2017), p. 1865-1878
doi:10.1021/acs.biochem.6b01048

Wedepohl, S.; Dernedde, J.; Vahedi-Faridi, A.; Tauber, R.; Saenger, W.; Bulut, H.: Reducing Macro- and Microheterogeneity of N-Glycans Enables the Crystal Structure of the Lectin and EGF-Like Domains of Human L-Selectin To Be Solved at 1.9 Å Resolution. , ChemBioChem 18 (2017), p. 1338-1345
doi:10.1002/cbic.201700220

Sevvana, M.; Hasselt, K.; Grau, F.C.; Burkovski, A.; Muller, Y.A.: Similarities in the structure of the transcriptional repressor AmtR in two different space groups suggest a model for the interaction with GlnK. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 73 (2017), p. 146-151
doi:10.1107/S2053230X17002485

Skalniak, L.; Zak, K.; Guzik, K.; Magiera, K.; Musielak, B.; Pachota, M.; Szelazek, B.; Kocik, J.; Grudnik, P.; Tomala, M.; Krzanik, S.; Pyrc, K.; Dömling, A.; Dubin, G.; Holak, T.: Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. , OncoTarget 8 (2017), p. 72167-72181
doi:10.18632/oncotarget.20050

Ehrmann, F.R.; Stojko, J.; Metz, A.; Debaene, F.; Barandun, L.J.; Heine, A.; Diederich, F.; Cianferani, S.; Reuter, K.; Klebe, G.: Soaking suggests " alternative facts " : Only cocrystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel mode-of-inhibition. , PLoS One 12 (2017), p. e0175723/1-30
doi:10.1371/journal.pone.0175723

Bogusz, J.; Zrubek, K.; Rembacz, K.P.; Grudnik, P.; Golik, P.; Romanowska, M.; Wladyka, B.; Dubin, G.: Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors. , Scientific Reports 7 (2017), p. ARTN 13399
doi:10.1038/s41598-017-13557-z

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

Schulte, K.; Green, E.; Wilz, A.; Platten, M.; Daumke, O.: Structural Basis for Aryl Hydrocarbon Receptor-Mediated Gene Activation. , Structure 25 (2017), p. 1025-1033.e3
doi:10.1016/j.str.2017.05.008

Cernooka, E.; Rumnieks, J.; Tars, K.; Kazaks, A.: Structural Basis for DNA Recognition of a Single-stranded DNA-binding Protein from Enterobacter Phage Enc34. , Scientific Reports 7 (2017), p. 15529/1-10
doi:10.1038/s41598-017-15774-y

Bartossek, T.; Jones, N.G.; Schäfer, C.; Cvitkovic, M.; Glogger, M.; Mott, H.R.; Kuper, J.; Brennich, M.; Carrington, M.; Smith, A.-S.; Fenz, S.; Kisker, C.; Engstler, M.: Structural basis for the shielding function of the dynamic trypanosome variant surface glycoprotein coat. , Nature Microbiology 2 (2017), p. 1523-1532
doi:10.1038/s41564-017-0013-6

You, W.; Rotili, D.; Li, T.M.; Kambach, C.; Meleshin, M.; Schutkowski, M.; Chua, K.F.; Steegborn, C.: Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules. , Angewandte Chemie - International Edition 56 (2017), p. 1007-1011
doi:10.1002/anie.201610082

Szelazek, B.; Kabala, W.; Kus, K.; Zdzalik, M.; Twarda-Clapa, A.; Golik, P.; Burmistrz, M.; Florek, D.; Wladyka, B.; Pyrc, K.; Dubin, G.: Structural Characterization of Human Coronavirus NL63 N Protein. , Journal of Virology 91 (2017), p. 02503-16/1-14
doi:10.1128/JVI.02503-16

Niefind, K.; Bischoff, N.; Golub, A.; Bdzhola, V.; Balanda, A.; Prykhod´ko, A.; Yarmoluk, S.: Structural hypervariability of the two human protein kinase CK2 catalytic subunit paralogs revealed by complex structures with a flavonoland a thieno[2,3-d]pyrimidine-based inhibitor. , Pharmaceuticals 10 (2017), p. 9
doi:10.3390/ph10010009

De Santi, C.; Gani, O.A.B.S.M.; Helland, R.; Williamson, A.: Structural insight into a CE15 esterase from the marine bacterial metagenome. , Scientific Reports 7 (2017), p. 17278/1-10
doi:10.1038/s41598-017-17677-4

Zhang, M.; Bommer, M.; Chatterjee, R.; Hussein, R.; Yano, J.; Dau, H.; Kern, J.; Dobbek, H.; Zouni, A.: Structural insights into the light-driven auto-assembly process of the water oxidizing Mn4CaO5-cluster in photosystem II. , eLife 6 (2017), p. e26933/-20
doi:10.7554/eLife.26933

Dahms, S.O.; Jiao, G.-S.; Than, M.E.: Structural Studies Revealed Active Site Distortions of Human Furin by a Small Molecule Inhibitor. , ACS Chemical Biology 12 (2017), p. 1211-1216
doi:10.1021/acschembio.6b01110

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

Dolot, R.; Sobczak, M.; Mikolajczyk, B.; Nawrot, B.: Synthesis, crystallization and preliminary crystallographic analysis of a 52-nucleotide DNA/2-OMe-RNA oligomer mimicking 10-23 DNAzyme in the complex with a substrate. , Nucleosides, Nucleotides and Nucleic Acids 36 (2017), p. 292-301
doi:10.1080/15257770.2016.1276291

Bock, T.; Volz, C.; Hering, V.; Scrima, A.; Mueller, R.; Blankenfeldt, W.: The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus. , Nucleic Acids Research 45 (2017), p. 2166-2178
doi:10.1093/nar/gkw1238

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

Alvadia, C.M.; Sommer, T.; Bjerregaard-Andersen, K.; Damkier, H.; Montrasio, M.; Aalkjaer, C.; Morth, J.P.: The crystal structure of the regulatory domain of the human sodium-driven chloride/bicarbonate exchanger. , Scientific Reports 7 (2017), p. 12131/1-12
doi:10.1038/s41598-017-12409-0

Usenik, A.; Renko, M.; Mihelic, M.; Lindic, N.; Borisek, J.; Perdih, A.; Pretnar, G.; Muller, U.; Turk, D.: The CWB2 cell wall-anchoring module is revealed by the crystal structures of the Clostridium difficile cell wall proteins Cwp8 and Cwp6. , Structure 25 (2017), p. 514-521
doi:10.1016/j.str.2016.12.018

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)

Kaiser, S.; Sauer, F.; Kisker, C.: The structural and functional characterization of human RecQ4 reveals insights into its helicase mechanism. , Nature Communications 8 (2017), p. 15907/1-12
doi:10.1038/ncomms15907

Sundriyal, S.; Moniot, S.; Mahmud, Z.; Yao, S.; Di Fruscia, P.; Reynolds, C.R.; Dexter, D.T.; Sternberg, M.J.E.; Lam, E.W.-F.; Steegborn, C.; Fuchter, M.J.: Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket. , Journal of Medicinal Chemistry 60 (2017), p. 1928-1945
doi:10.1021/acs.jmedchem.6b01690

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

Tölzer, C.; Pal, S.; Watzlawick, H.; Altenbuchner, J.; Niefind, K.: A novel esterase subfamily with alpha/beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to L-homoserine O-acetyl transferases. , FEBS Letters 590 (2016), p. 174-184
doi:10.1002/1873-3468.12031

Kumar, A.; Sykorova, P.; Demo, G.; Dobes, P.; Hyrsl, P.; Wimmerova, M.: A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure. , Journal of Biological Chemistry 291 (2016), p. 25032-25049
doi:10.1074/jbc.M115.693473

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

Goetz, F.; Roske, Y.; Schulz, M.S.; Autenrieth, K.; Bertinetti, D.; Faelber, K.; Zuehlke, K.; Kreuchwig, A.; Kennedy, E.; Krause, G.; Daumke, O.; Herberg, F.W.; Heinemann, U.; Klussmann, E.: AKAP18:PKA-RIIα structure reveals crucial anchor points for recognition of regulatory subunits of PKA. , Biochemical Journal 473 (2016), p. 1881-1894
doi:10.1042/BCJ20160242

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)

Kang, Y.; Gohlke, U.; Engstrom, O.; Hamark, C.; Scheidt, T.; Kunstrnann, S.; Heinemann, U.; Widmalm, G.; Santer, M.; Barbirz, S.: Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions. , Journal of the American Chemical Society 138 (2016), p. 9109-9118
doi:10.1021/jacs.6b00240

Kleinboelting, S.; Ramos-Espiritu, L.; Buck, H.; Colis, L.; van den Heuvel, J.; Fraser Glickman, J.; Levin, L.R.; Buck, J.; Steegborn, C.: Bithionol Potently Inhibits Human Soluble Adenylyl Cyclase through Binding to the Allosteric Activator Site. , Journal of Biological Chemistry 291 (2016), p. 9776-9784
doi:10.1074/jbc.M115.708255

Sosnowski, P.; Turk, D.: Caught in the act: the crystal structure of cleaved cathepsin L bound to the active site of Cathepsin L. , FEBS Letters 590 (2016), p. 1253-1261
doi:10.1002/1873-3468.12140

Nikulin, A.; Mikhailina, A.; Lekontseva, N.; Balobanov, V.; Nikonova, E.; Tishchenko, S.: Characterization of RNA-binding properties of the archaeal Hfq-like protein from Methanococcus jannaschii. , Journal of Biomolecular Structure and Dynamics 35 (2016), p. 1615-1628
doi:10.1080/07391102.2016.1189849

Heinzlmeir, S.; Kudlinzki, D.; Sreeramulu, S.; Klaeger, S.; Gande, S.L.; Linhard, V.; Wilhelm, M.; Qiao, H.; Helm, D.; Ruprecht, B.; Saxena, K.; Médard, G.; Schwalbe, H.; Kuster, B.: Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. , ACS Chemical Biology 11 (2016), p. 3400-3411
doi:10.1021/acschembio.6b00709

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

Strzelczyk, P.; Bujacz, G.: Crystal structure and ligand affinity of avidin in the complex with 4'-hydroxyazobenzene-2-carboxylic acid. , Journal of Molecular Structure 1109 (2016), p. 232-238
doi:10.1016/j.molstruc.2016.01.013

Willensky, S.; Bar-Rogovsky, H.; Bignon, E.A.; Tischler, N.D.; Modis, Y.; Dessau, M.: Crystal Structure of Glycoprotein C from a Hantavirus in the Post-fusion Conformation. , PLoS Pathogens 12 (2016), p. e1005948/1-25
doi:10.1371/journal.ppat.1005948

Lei, J.; Hansen, G.; Nitsche, C.; Klein, C.D.; Zhang, L.; Hilgenfeld, R.: Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor. , Science 353 (2016), p. 503-505
doi:10.1126/science.aag2419

Eisenreichova, A.; Klima, M.; Boura, E.: Crystal structures of a yeast 14-3-3 protein from Lachancea thermotolerans in the unliganded form and bound to a human lipid kinase PI4KB-derived peptide reveal high evolutionary conservation. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 72 (2016), p. 799-803
doi:10.1107/S2053230X16015053

Fillenberg, S.B.; Friess, M.D.; Körner, S.; Boeckmann, R.A.; Muller, Y.A.: Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors. , PLoS One 11 (2016), p. e0157691/1-23
doi:10.1371/journal.pone.0157691

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

Bommer, M.; Bondar, A.-N.; Zouni, A.; Dobbek, H.; Dau, H.: Crystallographic and Computational Analysis of the Barrel Part of the PsbO Protein of Photosystem II: Carboxylate-Water Clusters as Putative Proton Transfer Relays and Structural Switches. , Biochemistry 55 (2016), p. 4626-4635
doi:10.1021/acs.biochem.6b00441

Huschmann, Franziska: Crystallographic fragment-screening at the HZB. , Joint MX Day Berlin, 28.09.2016 - 28.09.2016 (2016)

Ramos-Espiritu, L.; Kleinboelting, S.; Navarrete, F.A.; Alvau, A.; Visconti, P.E.; Valsecchi, F.; Starkov, A.; Manfredi, G.; Buck, H.; Adura, C.; Zippin, J.H.; van den Heuvel, J.; Glickman, J.F.; Steegborn, C.; Levin, L.R.; Buck, J.: Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase. , Nature Chemical Biology 12 (2016), p. 838-844
doi:10.1038/nchembio.2151

Kutin, Y.; Srinivas, V.; Fritz, M.; Kositzki, R.; Shafaat, H.S.; Birrell, J.; Bill, E.; Haumann, M.; Lubitz, W.; Högbom, M.; Griese, J.J.; Cox, N.: Divergent assembly mechanisms of the manganese/iron cofactors in R2lox and R2c proteins. , Journal of Inorganic Biochemistry 162 (2016), p. 164–177
doi:10.1016/j.jinorgbio.2016.04.019

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

Cramer, J.; Krimmer, S.G.; Fridh, V.; Wulsdorf, T.; Karlsson, R.; Heine, A.; Klebe, G.: Elucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease Thermolysin. , ACS Chemical Biology 12 (2016), p. 225-233
doi:10.1021/acschembio.6b00979

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

Gande, S.L.; Saxena, K.; Sreeramulu, S.; Linhard, V.; Kudlinzki, D.; Heinzlmeir, S.; Reichert, A.J.; Skerra, A.; Kuster, B.; Schwalbe, H.: Expression and Purification of EPHA2 Tyrosine Kinase Domain for Crystallographic and NMR Studies. , ChemBioChem 17 (2016), p. 2257-2263
doi:10.1002/cbic.201600483

Huschmann, Franziska: Fragment-screening by X-ray crystallography at the MX-beam lines at BESSY II. , Drug Discovery Summit Berlin, 13.06.2016 - 14.06.2016 (2016)

Huschmann, Franziska: Fragment-screening by X-ray crystallography at the MX-beam lines at the HZB. , Fragment Based Lead Discovery Boston, 09.10.2016 - 12.10.2016 (2016)

Gerstner, C.; Dubnovitsky, A.; Sandin, C.; Kozhukh, G.; Uchtenhagen, H.; James, E.A.; Rönnelid, J.; Ytterberg, A.J.; Pieper, J.; Reed, E.; Tandre, C.; Rieck, M.; Zubarev, R.A.; Rönnblom, L.; Sandalova, T.; Buckner, J.H.; Achour, A.; Malmström, V.: Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted alpha-Enolase T Cell Epitope in Rheumatoid Arthritis. , Frontiers in Immunology 7 (2016), p. 494-506
doi:10.3389/fimmu.2016.00494

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

Brunner, K.; Maric, S.; Reshma, R.S.; Almqvist, H.; Seashore-Ludlow, B.; Gustavsson, A.-L.; Poyraz, O.; Yogeeswari, P.; Lundback, T.; Vallin, M.; Sriram, D.; Schnell, R.; Schneider, G.: Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. , Journal of Medicinal Chemistry 59 (2016), p. 6848-6859
doi:10.1021/acs.jmedchem.6b00674

Gaspari, R.; Rechlin, C.; Heine, A.; Bottegoni, G.; Rocchia, W.; Schwarz, Daniel.; Bomke, J.; Gerber, H.-D.; Klebe, G.; Cavalli, A.: Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. , Journal of Medicinal Chemistry 59 (2016), p. 4245-4256
doi:10.1021/acs.jmedchem.5b01643

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)

Sporny, M.; Guez-Haddad, J.; Waterman, D.G.; Isupov, M.N.; Opatowsky, Y.: Molecular symmetry-constrained systematic search approach to structure solution of the coiled-coil SRGAP2 F-BARx domain. , Acta Crystallographica Section D - Biological Crystallography 72 (2016), p. 1241-1253
doi:10.1107/S2059798316016697

Bertoletti, N.; Braun, F.; Lepage, M.; Möller, G.; Adamski, J.; Heine, A.; Klebe, G.; Marchais-Oberwinkler, S.: New Insights into Human 17 Beta-Hydroxysteroid Dehydrogenase Type 14: First Crystal Structures in Complex with a Steroidal Ligand and with a Potent Nonsteroidal Inhibitor. , Journal of Medicinal Chemistry 59 (2016), p. 6961-6967
doi:10.1021/acs.jmedchem.6b00293

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
doi:10.1186/s12915-016-0313-y

Arumughan, A.; Roske, Y.; Barth, C.; Forero, L.L.; Bravo-Rodriguez, K.; Redel, A.; Kostova, S.; McShane, E.; Opitz, R.; Faelber, K.; Rau, K.; Mielke, T.; Daumke, O.; Selbach, M.; Sanchez-Garcia, E.; Rocks, O.; Panakova, D.; Heinemann, U.; Wanker, E.E.: Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers. , Nature Communications 7 (2016), p. 13047/1-13
doi:10.1038/ncomms13047

Degtjarik, O.; Brynda, J.; Ettrichova, O.; Kuty, M.; Sinha, D.; Smatanova, I.K.; Carey, J.; Ettrich, R.; Reha, D.: Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA. , The Journal of Physical Chemistry B 120 (2016), p. 4867-4877
doi:10.1021/acs.jpcb.5b11958

Jeoung, J.-H.; Nianios, D.; Fetzner, S.; Dobbek, H.: Quercetin 2,4-Dioxygenase Activates Dioxygen in a Side-On O2Ni Complex. , Angewandte Chemie - International Edition 55 (2016), p. 3281-3284
doi:10.1002/anie.201510741

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

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

Werten, S.; Kohler, C.; Bayer, N.J.; Steinmetz, I.; Hinrichs, W.: Structural analysis and knock-out of a Burkholderia pseudomallei homolog of the eukaryotic transcription coactivator PC4. , Gene 577 (2016), p. 140-147
doi:10.1016/j.gene.2015.11.037

Koval, T.; Ostergaard, L.H.; Lehmbeck, J.; Norgaard, A.; Lipovova, P.; Duskova, J.; Skalova, T.; Trundova, M.; Kolenko, P.; Fejfarova, K.; Stransky, J.; Svecova, L.; Hasek, J.; Dohnalek, J.: Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition. , PLoS One 11 (2016), p. e0168832/1-25
doi:10.1371/journal.pone.0168832

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

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

Zak, K.M.; Grudnik, P.; Guzik, K.; Zieba, B.J.; Musielak, B.; Dömling, A.; Dubin, G.; Holak, T.A.: Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1). , OncoTarget 7 (2016), p. 30323-30335
doi:10.18632/oncotarget.8730

Balaev, V.V.; Lashkov, A.A.; Gabdulkhakov, A.G.; Dontsova, M.V.; Seregina, T.A.; Mironov, A.S.; Betzel, C.; Mikhailov, A.M.: Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 72 (2016), p. 224-233
doi:10.1107/S2053230X1600162X

Tishchenko, S.; Gabdulkhakov, A.; Melnik, B.; Kudryakova, I.; Latypov, O.; Vasilyeva, N.; Leontievsky, A.: Structural Studies of Component of Lysoamidase Bacteriolytic Complex from Lysobacter sp XL1. , The Protein Journal 35 (2016), p. 44-50
doi:10.1007/s10930-015-9645-7

Schaefer, C.; Bommer, M.; Hennig, S.E.; Jeoung, J.-H.; Dobbek, H.; Lenz, O.: Structure of an Actinobacterial-Type [NiFe]-Hydrogenase Reveals Insight into O2-Tolerant H2 Oxidation. , Structure 24 (2016), p. 285-292
doi:10.1016/j.str.2015.11.010

Revtovich, S.; Anufrieva, N.; Morozova, E.; Kulikova, V.; Nikulin, A.; Demidkina, T.: Structure of methionine gamma-lyase from Clostridium sporogenes. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 72 (2016), p. 65-71
doi:10.1107/S2053230X15023869

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

Zech, R.; Kiontke, S.; Mueller, U.; Oeckinghaus, A.; Kuemmel, D.: Structure of the Tuberous Sclerosis Complex 2 (TSC2) N Terminus Provides Insight into Complex Assembly and Tuberous Sclerosis Pathogenesis. , Journal of Biological Chemistry 291 (2016), p. 20008-20020
doi:10.1074/jbc.M116.732446

Dahms, S.O.; Arciniega, M.; Steinmetzer, T.; Huber, R.; Than, M.E.: Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism. , Proceedings of the National Academy of Sciences of the United States of America 113 (2016), p. 11196-11201
doi:10.1073/pnas.1613630113

Huschmann, F.U.; Linnik, J.; Sparta, K.; Ühlein, M.; Wang, X.; Metz, A.; Schiebel, J.; Heine, A.; Klebe, G.; Weiss, M.S.; Mueller, U.: Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 72 (2016), p. 346-355
doi:10.1107/S2053230X16004623

Balaev, V.V.; Lashkov, A.A.; Prokofev, I.I.; Gabdulkhakov, A.G.; Seregina, T.A.; Mironov, A.S.; Betzel, C.; Mikhailov, A.M.: Substrate Specificity of Pyrimidine Nucleoside Phosphorylases of NP-II Family Probed by X-ray Crystallography and Molecular Modeling. , Crystallography Reports 61 (2016), p. 830-841
doi:10.1134/S1063774516050023

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)

Baumlova, A.; Gregor, J.; Boura, E.: The Structural Basis for Calcium Inhibition of Lipid Kinase PI4K II alpha and Comparison With the Apo State. , Physiological Research 65 (2016), p. 987-993

Lim, S.M.; Yeung, K.; Tresaugues, L.; Ling, T.H.; Nordlund, P.: The structure and catalytic mechanism of human sphingomyelin phosphodiesterase like 3a-an acid sphingomyelinase homologue with a novel nucleotide hydrolase activity. , FEBS Journal 283 (2016), p. 1107-1123
doi:10.1111/febs.13655

Dahms, S.O.; Creemers, J.W.M.; Schaub, Y.; Bourenkov, G.P.; Zoegg, T.; Brandstetter, H.; Than, M.E.: The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers. , Scientific Reports 6 (2016), p. 34303/1-7
doi:10.1038/srep34303

Prokofev, I.I.; Lashkov, A.A.; Gabdulkhakov, A.G.; Balaev, V.V.; Seregina, T.A.; Mironov, A.S.; Betzel, C.; Mikhailov, A.M.: X-Ray Structures of Uridine Phosphorylase from Vibrio cholerae in Complexes with Uridine, Thymidine, Uracil, Thymine, and Phosphate Anion: Substrate Specificity of Bacterial Uridine Phosphorylases. , Crystallography Reports 61 (2016), p. 954-973
doi:10.1134/S1063774516060134

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

Opitz, R.; Mueller, M.; Reuter, C.; Barone, M.; Soicke, A.; Roske, Y.; Piotukh, K.; Huy, P.; Beerbaum, M.; Wiesner, B.; Beyermann, M.; Schmieder, P.; Freund, C.; Volkmer, R.; Oschkinat, H.; Schmalz, H.-G.; Kuehne, R.: A modular toolkit to inhibit proline-rich motif-mediated protein-protein interactions. , Proceedings of the National Academy of Sciences of the United States of America 112 (2015), p. 5011-5016
doi:10.1073/pnas.1422054112

Banerjee, A.; Adolph, R.S.; Gopalakrishnapai, J.; Kleinboelting, S.; Emmerich, C.; Steegborn, C.; Visweswariah, S.S.: A Universal Stress Protein (USP) in Mycobacteria Binds cAMP. , Journal of Biological Chemistry 290 (2015), p. 12731-12743
doi:10.1074/jbc.M115.644856

Gorgel, M.; Boggild, A.; Jensen Ulstrup, J.; Weiss, M.S.; Mueller, U.; Nissen, P.; Boesen, T.: Against the odds? De novo structure determination of a pilin with two cysteine residues by sulfur SAD. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 1095-1101
doi:10.1107/S1399004715003272

Manszewski, T.; Singh, K.; Imiolczyk, B.; Jaskolski, M.: An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 2422-2432
doi:10.1107/S1399004715018659

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)

Arkhipova, V.; Stolboushkina, E.; Kravchenko, O.; Kljashtorny, V.; Gabdulkhakov, A.; Garber, M.; Nikonov, S.; Maertens, B.; Blaesi, U.; Nikonov, O.: Binding of the 5 '-Triphosphate End of mRNA to the gamma-Subunit of Translation Initiation Factor 2 of the Crenarchaeon Sulfolobus solfataricus. , Journal of Molecular Biology 427 (2015), p. 3086-3095
doi:10.1016/j.jmb.2015.07.020

Kloos, M.; Brueser, A.; Kirchberger, J.; Schoeneberg, T.; Straeter, N.: Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation. , Biochemical Journal 469 (2015), p. 421-432
doi:10.1042/BJ20150251

Walzer, S.A.; Egerer-Sieber, C.; Sticht, H.; Sevvana, M.; Hohl, K.; Milbradt, J.; Muller, Y.A.; Marschall, M.: Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Core Nuclear Egress Complex Provides Insight into a Unique Assembly Scaffold for Virus-Host Protein Interactions. , Journal of Biological Chemistry 290 (2015), p. 27452-27458
doi:10.1074/jbc.C115.686527

Iermak, I.; Degtjarik, O.; Steffler, F.; Sieber, V.; Kuta Smatanova, I.: Crystallization behaviour of glyceraldehyde dehydrogenase from Thermoplasma acidophilum. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 71 (2015), p. 1475-80
doi:10.1107/S2053230X15020270

Huschmann, Franziska; Förster, Ronald; Heine, Andreas; Hellmig, Michael; Klebe, Gerhard; Linnik, Jana; Malecki, Piotr; Metz, Alexander; Radeva, Nadyalka; Röwer, Martin; Schiebel, Johannes; Sparta, Karine; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Weiss, Manfred; Mueller, Uwe: Crystallographic fragment-screening at the HZB. , HEC Kutna Hora, 24.09.2015 - 26.09.2015 (2015)

Huschmann, Franziska; Förster, Ronald; Heine, Andreas; Hellmig, Michael; Klebe, Gerhard; Linnik, Jana; Malecki, Piotr; Metz, Alexander; Radeva, Nadyalka; Röwer, Martin; Schiebel, Johannes; Sparta, Karine; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Weiss, Manfred; Mueller, Uwe: Crystallographic fragment-screening – Results from the HZB-Marburg collaboration. , ECM Rovinj, 23.08.2015 - 28.08.2015 (2015)

Borišek, J.; Vizovišek, M.; Sosnowski, P.; Turk, B.; Turk, D.; Mohar, B.: Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. , Journal of Medicinal Chemistry 58 (2015), p. 6928-6937
doi:10.1021/acs.jmedchem.5b00746

Zühlsdorf, M.; Werten, S.; Klupp, B.G.; Palm, G.J.; Mettenleiter, T.C.; Hinrichs, W.: Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin pUL26N, a Herpesvirus Serine Protease. , PLoS Pathogens 11 (2015), p. e1005045/1-23
doi:10.1371/journal.ppat.1005045

Kroon, E.; Schulze, J.O.; Suess, E.; Camacho, C.J.; Biondi, R.M.; Domling, A.: Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods. , Angewandte Chemie - International Edition 54 (2015), p. 13933-13936
doi:10.1002/anie.201506310

Vit, A.; Misson, L.; Blankenfeldt, W.; Seebeck, F.P.: Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis. , ChemBioChem 16 (2015), p. 119-125
doi:10.1002/cbic.201402522

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)

Graczer, E.; Pallo, A.; Olah, J.; Szimler, T.; Konarev, P.V.; Svergun, D.I.; Merli, A.; Zavodszky, P.; Weiss, M.S.; Vas, M.: Glutamate 270 plays an essential role in K+-activation and domain closure of Thermus thermophilus isopropylmalate dehydrogenase. , FEBS Letters 589 (2015), p. 240-245
doi:10.1016/j.febslet.2014.12.005

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

Kudlinzki, D.; Linhard, V.L.; Saxena, K.; Sreeramulu, S.; Gande, S.; Schieborr, U.; Dreyer, M.; Schwalbe, H.: High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 71 (2015), p. 1088-1093
doi:10.1107/S2053230X1501242X

Zimmermann, S.; Pfennig, S.; Neumann, P.; Yonus, H.; Weininger, U.; Kovermann, M.; Balbach, J.; Stubbs, M.T.: High-resolution structures of the D-alanyl carrier protein (Dcp) DltC from Bacillus subtilis reveal equivalent conformations of apo- and holo-forms. , FEBS Letters 589 (2015), p. 2283-2289
doi:10.1016/j.febslet.2015.07.008

Giardina, G.; Brunotti, P.; Fiascarelli, A.; Cicalini, A.; Costa, M.G.S.; Buckle, A.M.; di Salvo, M.L.; Giorgi, A.; Marani, M.; Paone, A.; Rinaldo, S.; Paiardini, A.; Contestabile, R.; Cutruzzola, F.: How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state. , FEBS Journal 282 (2015), p. 1225-1241
doi:10.1111/febs.13211

Fesseler, J.; Jeoung, J.-H.; Dobbek, H.: How the [NiFe4S4] Cluster of CO Dehydrogenase Activates CO2 and NCO-. , Angewandte Chemie - International Edition 54 (2015), p. 8560-8564
doi:10.1002/anie.201501778

Dahms, S.O.; Mayer, M.C.; Roeser, D.; Multhaup, G.; Than, M.E.: Interaction of the amyloid precursor protein-like protein 1 (APLP1) E2 domain with heparan sulfate involves two distinct binding modes. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 494-504
doi:10.1107/S1399004714027114

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)

Rothweiler, U.; Eriksson, J.; Stensen, W.; Leeson, F.; Engh, R.A.; Svendsen, J.S.: Luciferin and derivatives as a DYRK selective scaffold for the design of protein kinase inhibitors. , European Journal of Medicinal Chemistry 94 (2015), p. 140–148
doi:10.1016/j.ejmech.2015.02.035

Rose, J.P.; Wang, B.-C.; Weiss, M.S.: Native SAD is maturing. , IUCrJ 2 (2015), p. 431-440
doi:10.1107/S2052252515008337

Hardes, K.; Becker, G.L.; Lu, Y.; Dahms, S.O.; Köhler, S.; Beyer, W.; Sandvig, K.; Yamamoto, H.; Lindberg, I.; Walz, L.; von Messling, V.; Than, M.E.; Garten, W.; Steinmetzer, T.: Novel Furin Inhibitors with Potent Anti-infectious Activity. , ChemMedChem 10 (2015), p. 1218-1231
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Stransky, J.; Koval', T.; Podzimek, T.; Tycova, A.; Lipovova, P.; Matousek, J.; Kolenko, P.; Fejfarova, K.; Duskova, J.; Skalova, T.; Hasek, J.; Dohnalek, J.: Phosphate binding in the active centre of tomato multifunctional nuclease TBN1 and analysis of superhelix formation by the enzyme. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 71 (2015), p. 1408-1415
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Kuhnert, M.; Blum, A.; Steuber, H.; Diederich, W.E.: Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C-2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors. , Journal of Medicinal Chemistry 58 (2015), p. 4845-4850
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Osadnik, H.; Schoepfel, M.; Heidrich, E.; Mehner, D.; Lilie, H.; Parthier, C.; Risselada, H.J.; Grubmueller, H.; Stubbs, M.T.; Brueser, T.: PspF-binding domain PspA(1-144) and the PspA center dot F complex: New insights into the coiled-coil-dependent regulation of AAA plus proteins. , Molecular Microbiology 98 (2015), p. 743-759
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Grosskopf, S.; Eckert, C.; Arkona, C.; Radetzki, S.; Boehm, K.; Heinemann, U.; Wolber, G.; von Kries, J.-P.; Birchmeier, W.; Rademann, J.: Selective Inhibitors of the Protein Tyrosine Phosphatase SHP2 Block Cellular Motility and Growth of Cancer Cells in vitro and in vivo. , ChemMedChem 10 (2015), p. 815-826
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Glow, D.; Pianka, D.; Sulej, A.A.; Kozlowski, L.P.; Czarnecka, J.; Chojnowski, G.; Skowronek, K.J.; Bujnicki, J.M.: Sequence-specific cleavage of dsRNA by Mini-III RNase. , Nucleic Acids Research 43 (2015), p. 2864-2873
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Skalden, L.; Thomsen, M.; Hoehne, M.; Bornscheuer, U.T.; Hinrichs, W.: Structural and biochemical characterization of the dual substrate recognition of the (R)-selective amine transaminase from Aspergillus fumigatus. , FEBS Journal 282 (2015), p. 407-415
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Leiros, H.-K.S.; Edvardsen, K.S.W.; Bjerga, G.E.K.; Samuelsen, O.: Structural and biochemical characterization of VIM-26 show that Leu224 has implications for the substrate specificity of VIM metallo-β-lactamases. , FEBS Journal 282 (2015), p. 1031-1042
doi:10.1111/febs.13200

Trubitsina, L.I.; Tishchenko, S.V.; Gabdulkhakov, A.G.; Lisov, A.V.; Zakharova, M.V.; Leontievsky, A.A.: Structural and functional characterization of two-domain laccase from Streptomyces viridochromogenes. , Biochimie 112 (2015), p. 151-159
doi:10.1016/j.biochi.2015.03.005

Gaur, V.; Wyatt, H.D.M.; Komorowska, W.; Szczepanowski, R.H.; de Sanctis, D.; Gorecka, K.M.; West, S.C.; Nowotny, M.: Structural and Mechanistic Analysis of the Slx1-Slx4 Endonuclease. , Cell Reports 10 (2015), p. 1467-1476
doi:10.1016/j.celrep.2015.02.019

Griese, J.J.; Kositzki, R.; Schrapers, P.; Branca, R.M.M.; Nordstrom, A.; Lehtio, J.; Haumann, M.; Hogbom, M.: Structural Basis for Oxygen Activation at a Heterodinuclear Manganese/Iron Cofactor. , Journal of Biological Chemistry 290 (2015), p. 25254-25272
doi:10.1074/jbc.M115.675223

Rinaldo, S.; Paiardini, A.; Stelitano, V.; Brunotti, P.; Cervoni, L.; Fernicola, S.; Protano, C.; Vitali, M.; Cutruzzola, F.; Giardina, G.: Structural Basis of Functional Diversification of the HD-GYP Domain Revealed by the Pseudomonas aeruginosa PA4781 Protein, Which Displays an Unselective Bimetallic Binding Site. , Journal of Bacteriology 197 (2015), p. 1525-1535
doi:10.1128/JB.02606-14

Fillenberg, S.B.; Grau, F.C.; Seidel, G.; Muller, Y.A.: Structural insight into operator dre-sites recognition and effector binding in the GntR/HutC transcription regulator NagR. , Nucleic Acids Research 43 (2015), p. 1283-1296
doi:10.1093/nar/gku1374

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

Thomsen, M.; Tuukkanen, A.; Dickerhoff, J.; Palm, G.J.; Kratzat, H.; Svergun, D.I.; Weisz, K.; Bornscheuer, U.T.; Hinrichs, W.: Structure and catalytic mechanism of the evolutionarily unique bacterial chalcone isomerase. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 907-917
doi:10.1107/S1399004715001935

Zak, K.M.; Kitel, R.; Przetocka, S.; Golik, P.; Guzik, K.; Musielak, B.; Domling, A.; Dubin, G.; Holak, T.A.: Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1. , Structure 23 (2015), p. 2341-2348
doi:10.1016/j.str.2015.09.010

Vit, A.; Mashabela, G.T.; Blankenfeldt, W.; Seebeck, F.P.: Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC. , ChemBioChem 16 (2015), p. 1490-1496
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Possner, D.D.D.; Claesson, M.; Guy, J.E.: Structure of the Glycosyltransferase Ktr4p from Saccharomyces cerevisiae. , PLoS One 10 (2015), p. e0136239/1-16
doi:10.1371/journal.pone.0136239

Goncharenko, K.V.; Vit, A.; Blankenfeldt, W.; Seebeck, F.P.: Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway. , Angewandte Chemie - International Edition 54 (2015), p. 2821-2824
doi:10.1002/anie.201410045

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

Schubert, A.; Wrase, R.; Hilgenfeld, R.; Hansen, G.: Structures of DegQ from Legionella pneumophila Define Distinct ON and OFF States. , Journal of Molecular Biology 427 (2015), p. 2840-2851
doi:10.1016/j.jmb.2015.06.023

Huschmann, Franziska; Förster, Ronald; Heine, Andreas; Hellmig, Michael; Klebe, Gerhard; Linnik, Jana; Malecki, Piotr; Metz, Alexander; Radeva, Nadyalka; Röwer, Martin; Schiebel, Johannes; Sparta, Karine; Steffien, Michael; Ühlein, Monika; Wilk, Piotr; Weiss, Manfred; Mueller, Uwe: Synchrotron based fragment screening at the HZB. , DGK Göttingen, 16.03.2015 - 19.03.2015 (2015)

Kling, A.; Lukat, P.; Almeida, D.V.; Bauer, A.; Fontaine, E.; Sordello, S.; Zaburannyi, N.; Herrmann, J.; Wenzel, S.C.; Koenig, C.; Ammerman, N.C.; Barrio, M.B.; Borchers, K.; Bordon-Pallier, F.; Broenstrup, M.; Courtemanche, G.; Gerlitz, M.; Geslin, M.; Hammann, P.; Heinz, D.W.; Hoffmann, H.; Klieber, S.; Kohlmann, M.; Kurz, M.; Lair, C.; Matter, H.; Nuermberger, E.; Tyagi, S.; Fraisse, L.; Grosset, J.H.; Lagrange, S.; Mueller, R.: Targeting DnaN for tuberculosis therapy using novel griselimycins. , Science 348 (2015), p. 1106-1112
doi:10.1126/science.aaa4690

Lange, A.; Günther, M.; Büttner, F.M.; Zimmermann, M.O.; Heidrich, J.; Hennig, S.; Zahn, S.; Schall, C.; Sievers-Engler, A.; Koch, P.; Laemmerhofer, M.; Stehle, T.; Laufer, S.A.; Boeckler, F.M.: Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond. , Journal of the American Chemical Society 137 (2015), p. 14640-14652
doi:10.1021/jacs.5b07090

Hellert, J.; Weidner-Glunde, M.; Krausze, J.; Luensdorf, H.; Ritter, C.; Schulz, T.F.; Lührs, T.: The 3D structure of Kaposi sarcoma herpesvirus LANA C-terminal domain bound to DNA. , Proceedings of the National Academy of Sciences of the United States of America 112 (2015), p. 6694-6699
doi:10.1073/pnas.1421804112

Hoefgen, S.; Dahms, S.O.; Oertwig, K.; Than, M.E.: The Amyloid Precursor Protein Shows a pH-Dependent Conformational Switch in Its E1 Domain. , Journal of Molecular Biology 427 (2015), p. 433-442
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Fufina, T.Y.; Vasilieva, L.G.; Gabdulkhakov, A.G.; Shuvalov, V.A.: The L(M196)H mutation in Rhodobacter sphaeroides reaction center results in new electrostatic interactions. , Photosynthesis Research 125 (2015), p. 23-29
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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

Guez-Haddad, J.; Sporny, M.; Sasson, Y.; Gevorkyan-Airapetov, L.; Lahav-Mankovski, M.; Margulies, D.; Radzimanowski, J.; Opatowsky, Y.: The Neuronal Migration Factor srGAP2 Achieves Specificity in Ligand Binding through a Two-Component Molecular Mechanism. , Structure 23 (2015), p. 1989–2000
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Alexeeva, M.; Åberg, E.; Engh, R.A.; Rothweiler, U.: The structure of a dual-specificity tyrosine phosphorylation-regulated kinase 1A-PKC412 complex reveals di­sulfide-bridge formation with the anomalous catalytic loop HRD(HCD) cysteine. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 1207–1215
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Caraballo, R.; Saleeb, M.; Bauer, J.; Liaci, A.M.; Chandra, N.; Storm, R.J.; Frangsmyr, L.; Qian, W.; Stehle, T.; Arnberg, N.; Elofsson, M.: Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells. , Organic & Biomolecular Chemistry 13 (2015), p. 9194-9205
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2014

Bommer, Martin; Sparta, Karine; Dobbek, Holger; Weiss, Manfred S.; Mueller, Uwe: A guide to data collection using the beamline 14.1 Pilatus 6M detector. , Sixth Joint BER II and BESSY II User Meeting Berlin, 03.12.2014 - 05.12.2014 (2014)

Zurga, S.; Pohleven, J.; Renko, M.; Bleuler-Martinez, S.; Sosnowski, P.; Turk, D.; Künzler, M.; Kos, J.; Sabotic, J.: A novel β-trefoil lectin from the parasol mushroom (Macrolepiota procera) is nematotoxic. , FEBS Journal 281 (2014), p. 3489-3506
doi:10.1111/febs.12875

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
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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

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
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Roessler, C.; Nowak, T.; Pannek, M.; Gertz, M.; Nguyen, G.T.T.; Scharfe, M.; Born, I.; Sippl, W.; Steegborn, C.; Schutkowski, M.: Chemical Probing of the Human Sirtuin 5 Active Site Reveals Its Substrate Acyl Specificity and Peptide-Based Inhibitors. , Angewandte Chemie - International Edition 53 (2014), p. 10728-10732
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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
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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

Neumann, P.; Lakomek, K.; Naumann, P.-T.; Erwin, W.M.; Lauhon, C.T.; Ficner, R.: Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification. , Nucleic Acids Research 42 (2014), p. 6673-6685
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Scherer, M.; Klingl, S.; Sevvana, M.; Otto, V.; Schilling, E.-M.; Stump, J.D.; Müller, R.; Reuter, N.; Sticht, H.; Muller, Y.A.; Stamminger, T.: Crystal Structure of Cytomegalovirus IE1 Protein Reveals Targeting of TRIM Family Member PML via Coiled-Coil Interactions. , PLoS Pathogens 10 (2014), p. e1004512/1-18
doi:10.1371/journal.ppat.1004512

Dowiercial, A.; Wilk, P.; Rypniewski, W.; Rode, W.; Jarmula, A.: Crystal Structure of Mouse Thymidylate Synthase in Tertiary Complex with dUMP and Raltitrexed Reveals N-Terminus Architecture and Two Different Active Site Conformations. , Biomed Research International 2014 (2014), p. 945803/1-7
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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
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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
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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
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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
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Wang, C.; Gohlke, U.; Roske, Y.; Heinemann, U.: Crystal structure of the yeast TRAPP-associated protein Tca17. , FEBS Journal 281 (2014), p. 4195-4206
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Kleinboelting, S.; Diaz, A.; Moniot, S.; van den Heuvel, J.; Weyand, M.; Levin, L.R.; Buck, J.; Steegborn, C.: Crystal structures of human soluble adenylyl cyclase reveal mechanisms of catalysis and of its activation through bicarbonate. , Proceedings of the National Academy of Sciences of the United States of America 111 (2014), p. 3727-3732
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Niegowski, D.; Kleinschmidt, T.; Olsson, U.; Ahmad, S.; Rinaldo-Matthis, A.; Haeggstrom, J.Z.: Crystal Structures of Leukotriene C-4 Synthase in Complex with Product Analogs. , Journal of Biological Chemistry 289 (2014), p. 5199-5207
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Monecke, T.; Buschmann, J.; Neumann, P.; Wahle, E.; Ficner, R.: Crystal Structures of the Novel Cytosolic 5 '-Nucleotidase IIIB Explain Its Preference for m(7)GMP. , PLoS One 9 (2014), p. e90915/1-13
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Lehneck, R.; Neumann, P.; Vullo, D.; Elleuche, S.; Supuran, C.T.; Ficner, R.; Poeggeler, S.: Crystal structures of two tetrameric β-carbonic anhydrases from the filamentous ascomycete Sordaria macrospora. , FEBS Journal 281 (2014), p. 1759-1772
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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
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Suhre, M.H.; Scheibel, T.; Steegborn, C.; Gertz, M.: Crystallization and preliminary X-ray diffraction analysis of proximal thread matrix protein 1 (PTMP1) from Mytilus galloprovincialis. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 70 (2014), p. 769-772
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Arkhipova, V.I.; Stolboushkina, E.A.; Nikonov, O.S.; Gabdulkhakov, A.G.; Garber, M.B.: Crystallization of mutant forms of the γ subunit of archaeal translation initiation factor 2. , Crystallography Reports 59 (2014), p. 71-74
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Thomsen, M.; Skalden, L.; Palm, G.J.; Höhne, M.; Bornscheuer, U.T.; Hinrichs, W.: Crystallographic characterization of the (R)-selective amine transaminase from Aspergillus fumigatus. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1086-1093
doi:10.1107/S1399004714001084

Sykora, J.; Brezovsky, J.; Koudelakova, T.; Lahoda, M.; Fortova, A.; Chernovets, T.; Chaloupkova, R.; Stepankova, V.; Prokop, Z.; Kuta Smatanova, I.; Hof, M.; Damborsky, J.: Dynamics and hydration explain failed functional transformation in dehalogenase design. , Nature Chemical Biology 10 (2014), p. 428-430
doi:10.1038/nchembio.1502

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 = Biokhimiya 79 (2014), p. 469-477
doi:10.1134/S0006297914050113

Kuhle, B.; Ficner, R.: eIF5B employs a novel domain release mechanism to catalyze ribosomal subunit joining. , The EMBO Journal 33 (2014), p. 1177-1191
doi:10.1002/embj.201387344

Williamson, A.; Rothweiler, U.; Schroder Leiros, H.-K.: Enzyme-adenylate structure of a bacterial ATP-dependent DNA ligase with a minimized DNA-binding surface. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 3043-3056
doi:10.1107/S1399004714021099

Neznansky, A.; Opatowsky, Y.: Expression, purification and crystallization of the phosphate-binding PstS protein from Pseudomonas aeruginosa. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 70 (2014), p. 906-910
doi:10.1107/S2053230X14010279

Kleinboelting, S.; van den Heuvel, J.; Kambach, C.; Weyand, M.; Leipelt, M.; Steegborn, C.: Expression, purification, crystallization and preliminary X-ray diffraction analysis of a mammalian type 10 adenylyl cyclase. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 70 (2014), p. 467-469
doi:10.1107/S2053230X14004014

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)

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)

Wisniewska, M.; Happonen, L.; Kahn, F.; Varjosalo, M.; Malmström, L.; Rosenberger, G.; Karlsson, C.; Cazzamali, G.; Pozdnyakova, I.; Frick, I.-M.; Björck, L.; Streicher, W.; Malmström, J.; Wikström, M.: Functional and Structural Properties of a Novel Protein and Virulence Factor (Protein sHIP) in Streptococcus pyogenes. , Journal of Biological Chemistry 289 (2014), p. 18175-18188
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Florin, N.; Schiemann, O.; Hagelueken, G.: High-resolution crystal structure of spin labelled (T21R1) azurin from Pseudomonas aeruginosa: a challenging structural benchmark for in silico spin labelling algorithms. , BMC Structural Biology 14 (2014), p. 1-10
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Leiros, H.-K.S.; Skagseth, S.; Waade Edvardsen, K.S.; Lorentzen, M.S.; Bjerga, G.E.K.; Leiros, I.; Samuelsen, O.: His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency of the Metallo-beta-Lactamase VIM-7. , Antimicrobial Agents and Chemotherapy 58 (2014), p. 4826-4836
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Galilee, M.; Alian, A.: Identification of Phe187 as a Crucial Dimerization Determinant Facilitates Crystallization of a Monomeric Retroviral Integrase Core Domain. , Structure 22 (2014), p. 1512-1519
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Gad, H.; Koolmeister, T.; Jemth, A.-S.; Eshtad, S.; Jacques, S.A.; Strom, C.E.; Svensson, L.M.; Schultz, N.; Lundbäck, T.; Einarsdottir, B.O.; Saleh, A.; Göktürk, C.; Baranczewski, P.; Svensson, R.; Berntsson, R.P.-A.; Gustafsson, R.; Strömberg, K.; Sanjiv, K.; Jacques-Cordonnier, M.-C.; Desroses, M.; Gustavsson, A.-L.; Olofsson, R.; Johansson, F.; Homan, E.J.; Loseva, O.; Bräutigam, L.; Johansson, L.; Höglund, A.; Hagenkort, A.; Pham, T.; Altun, M.; Gaugaz, F.Z.; Vikingsson, S.; Evers, B.; Henriksson, M.; Vallin, K.S.A.; Wallner, O.A.; Hammarström, L.G.J.; Wiita, E.; Almlöf, I.; Kalderen, C.; Axelsson, H.; Djureinovic, T.; Puigvert, J.C.; Häggblad, M.; Jeppsson, F.; Martens, U.; Lundin, C.; Lundgren, B.; Granelli, I.; Jensen, A.J.; Artursson, P.; Nilsson, J.A.; Stenmark, P.; Scobie, M.; Berglund, U.W.; Helleday, T.: MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. , Nature 508 (2014), p. 215-221
doi:10.1038/nature13181

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)

Renko, M.; Taler-Vercic, A.; Mihelic, M.; Zerovnik, E.; Turk, D.: Partial rotational lattice order-disorder in stefin B crystals. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1015-1025
doi:10.1107/S1399004714000091

Han, H.; Kursula, P.: Periaxin and AHNAK Nucleoprotein 2 Form Intertwined Homodimers through Domain Swapping. , Journal of Biological Chemistry 289 (2014), p. 14121-14131
doi:10.1074/jbc.M114.554816

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

Schuetz, A.; Murakawa, Y.; Rosenbaum, E.; Landthaler, M.; Heinemann, U.: Roquin binding to target mRNAs involves a winged helix-turn-helix motif. , Nature Communications 5 (2014), p. 5701/1-7
doi:10.1038/ncomms6701

Smietanski, M.; Werner, M.; Purta, E.; Kaminska, K H; Stepinski, J.; Darzynkiewicz, E.; Nowotny, M.; Bujnicki, J.M.: Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation. , Nature Communications 5 (2014), p. 3004/1-10
doi:10.1038/ncomms4004

Kleinboelting, S.; van den Heuvel, J.; Steegborn, C.: Structural analysis of human soluble adenylyl cyclase and crystal structures of its nucleotide complexes - implications for cyclase catalysis and evolution. , FEBS Journal 281 (2014), p. 4151-4164
doi:10.1111/febs.12913

Pallo, A.; Olah, J; Graczer, É.; Merli, A.; Zavodszky, P.; Weiss, M.S.; Vas, M.: Structural and energetic basis of isopropylmalate dehydrogenase enzyme catalysis. , FEBS Journal 281 (2014), p. 5063–5076
doi:10.1111/febs.13044

Möhlmann, S.; Mathew, R.; Neumann, P.; Schmitt, A.; Lührmann, R.; Ficner, R.: Structural and functional analysis of the human spliceosomal DEAD-box helicase Prp28. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1622-1630
doi:10.1107/S1399004714006439

Forsberg, Z.; Mackenzie, A.K.; Sorlie, M.; Rohr, A.K.; Helland, R.; Arvai, A.S.; Vaaje-Kolstad, G.; Eijsink, V.G.H.: Structural and functional characterization of a conserved pair of bacterial cellulose-oxidizing lytic polysaccharide monooxygenases. , Proceedings of the National Academy of Sciences of the United States of America 111 (2014), p. 8446-8451
doi:10.1073/pnas.1402771111

Suhre, M.H.; Gertz, M.; Steegborn, C.; Scheibel, T.: Structural and functional features of a collagen-binding matrix protein from the mussel byssus. , Nature Communications 5 (2014), p. 3392/1-11
doi:10.1038/ncomms4392

Kuhnert, M.; Steuber, H.; Diederich, W.E.: Structural Basis for HTLV-1 Protease Inhibition by the HIV-1 Protease Inhibitor Indinavir. , Journal of Medicinal Chemistry 57 (2014), p. 6266-6272
doi:10.1021/jm500402c

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

Tresaugues, L.; Silvander, C.; Flodin, S.; Welin, M.; Nyman, T.; Graslund, S.; Hammarstrom, M.; Berglund, H.; Nordlund, P.: Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases. , Structure 22 (2014), p. 744-755
doi:10.1016/j.str.2014.01.013

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

Berntsson, R.P.-A.; Odegrip, R.; Sehlen, W.; Skaar, K.; Svensson, L.M.; Massad, T.; Hoegbom, M.; Haggard-Ljungquist, E.; Stenmark, P.: Structural insight into DNA binding and oligomerization of the multifunctional Cox protein of bacteriophage P2. , Nucleic Acids Research 42 (2014), p. 2725-2735
doi:10.1093/nar/gkt1119

Shah, C.; Hegde, B.G.; Moren, B.; Behrmann, E.; Mielke, T.; Moenke, G.; Spahn, C.M.T.; Lundmark, R.; Daumke, O.; Langen, R.: Structural Insights into Membrane Interaction and Caveolar Targeting of Dynamin-like EHD2. , Structure 22 (2014), p. 409-420
doi:10.1016/j.str.2013.12.015

Khoshnevis, S.; Gunisova, S.; Vlckova, V.; Kouba, T.; Neumann, P.; Beznoskova, P.; Ficner, R.; Valasek, L.S.: Structural integrity of the PCI domain of eIF3a/TIF32 is required for mRNA recruitment to the 43S pre-initiation complexes. , Nucleic Acids Research 42 (2014), p. 4123-4139
doi:10.1093/nar/gkt1369

Xu, D.; Waack, P.; Zhang, Q.; Werten, S.; Hinrichs, W.; Virolle, M.-J.: Structure and regulatory targets of SCO3201, a highly promiscuous TetR-like regulator of Streptomyces coelicolor M145. , Biochemical and Biophysical Research Communications 450 (2014), p. 513-518
doi:10.1016/j.bbrc.2014.06.003

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

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

Zoll, S.; Stanchev, S.; Began, J.; Skerle, J.; Lepsík, M.; Peclinovská, L.; Majer, P.; Strisovsky, K.: Substrate binding and specificity of rhomboid intramembrane protease revealed by substrate-peptide complex structures. , The EMBO Journal 33 (2014), p. 2408-2421
doi:10.15252/embj.201489367

Angelucci, F.; Morea, V.; Angelaccio, S.; Saccoccia, F.; Contestabile, R.; Ilari, A.: The crystal structure of archaeal serine hydroxymethyltransferase reveals idiosyncratic features likely required to withstand high temperatures. , Proteins - Structure, Function and Bioinformatics 82 (2014), p. 3437-49
doi:10.1002/prot.24697

Schnitzler, A.; Brinkmann Olsen, B.; Issinger, O.-G.; Niefind, K.: The Protein Kinase CK2Andante Holoenzyme Structure Supports Proposec Models of Autoregulation and Trans-autophsophosylation. , Journal of Molecular Biology 426 (2014), p. 1871-1882
doi:10.1016/j.jmb.2014.02.018

Ilari, A.; Alaleona, F.; Tria, G.; Petrarca, P.; Battistoni, A.; Zamparelli, C.; Verzili, D.; Falconi, M.; Chiancone, E.: The Salmonella enterica ZinT structure, zinc affinity and interaction with the high-affinity Uptake protein ZnuA provide insight into the management of periplasmic zinc. , Biochimica et Biophysica Acta - General Subjects 1840 (2014), p. 535-544
doi:10.1016/j.bbagen.2013.10.010

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

Liu, Y.; Neumann, P.; Kuhle, B.; Monecke, T.; Schell, S.; Chari, A.; Ficner, R.: Translation Initiation Factor eIF3b Contains a Nine-Bladed β-Propeller and Interacts with the 40S Ribosomal Subunit. , Structure 22 (2014), p. 923-930
doi:10.1016/j.str.2014.03.010

Nowak, E.; Miller, J.T.; Bona, M.K.; Studnicka, J.; Szczepanowski, R.H.; Jurkowski, J.; LeGrice, S.F.J.; Nowotny, M.: Ty3 reverse transcriptase complexed with an RNA-DNA hybrid shows structural and functional asymmetry. , Nature Structural & Molecular Biology 21 (2014), p. 389-396
doi:10.1038/nsmb.2785

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)

Dahms, S.O.; Hardes, K.; Becker, G.L.; Steinmetzer, T.; Brandstetter, H.; Than, M.E.: X-ray Structures of Human Furin in Complex with Competitive Inhibitors. , ACS Chemical Biology 9 (2014), p. 1113-1118
doi:10.1021/cb500087x

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

Hofmeyer, T.; Schmelz, S.; Degiacomi, M.T.; Peraro, M.D.; Daneschdar, M.; Scrima, A.; Den Heuvel, J.V.; Heinz, D.W.; Kolmar, H.: Arranged Sevenfold: Structural Insights Into the C-Terminal Oligomerization Domain of Human C4b-Binding Protein. , Journal of Molecular Biology 425 (2013), p. 1302-1317
doi:10.1016/j.jmb.2012.12.017

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

Lindgren, A.E.; Karlberg, T.; Ekblad, T.; Spjut, S.; Thorsell, A.G.; Andersson, C.D.; Nhan, T.T.; Hellsten, V.; Weigelt, J.; Linusson, A.; Schuler, H.; Elofsson, M.: Chemical Probes to Study ADP-Ribosylation: Synthesis and Biochemical Evaluation of Inhibitors of the Human ADP-Ribosyltransferase ARTD3/PARP3. , Journal of Medicinal Chemistry 56 (2013), p. 9556 - 9568
doi:10.1021/jm401394u

Volkov, A.; Khoshnevis, S.; Neumann, P.; Herrfurth, C.; Wohlwend, D.; Ficner, R.; Feussner, I.: Crystal structure analysis of a fatty acid double-bond hydratase from Lactobacillus acidophilus. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 648-657
doi:10.1107/S0907444913000991

Moniot, S.; Schutkowski, M.; Steegborn, C.: Crystal structure analysis of human Sirt2 and its ADP-ribose complex. , Journal of Structural Biology 182 (2013), p. 136-143
doi:10.1016/j.jsb.2013.02.012

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

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

Dowiercial, A.; Jarmula, A.; Wilk, P.; Rypniewski, W.; Kierdaszuk, B.; Rode, W.: Crystal structures of complexes of mouse thymidylate synthase crystallized with N4-OH-dCMP alone or in the presence of N5,10-methylenetetrahydrofolate. , Pteridines 24 (2013), p. 93-98
doi:10.1515/pterid-2013-0010

Nguyen, G.T.T.; Gertz, M.; Steegborn, C.: Crystal Structures of Sirt3 Complexes with 4 '-Bromo-Resveratrol Reveal Binding Sites and Inhibition Mechanism. , Chemistry & Biology 20 (2013), p. 1375-1385
doi:10.1016/j.chembiol.2013.09.019

Dowiercial, A.; Wilk, P.; Rypniewski, W.; Fraczyk, T.; Jarmula, A.; Banaszak, K.; Dabrowska, M.; Ciesla, J.; Rode, W.: Crystal structures of thymidylate synthase from nematodes, Trichinella spiralis and Caenorhabditis elegans, as a potential template for species-specific drug design. , Pteridines 24 (2013), p. 87-91
doi:10.1515/pterid-2013-0011

Resch, M.; Goepel, Y.; Goerke, B.; Ficner, R.: Crystallization and preliminary X-ray diffraction analysis of YhbJ from Escherichia coli, a key protein involved in the GlmYZ sRNA regulatory cascade. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 109-114
doi:10.1107/S1744309112048622

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

Gertz, M.; Fischer, F.; Nguyen, G.T.T.; Lakshminarasimhan, M.; Schutkowski, M.; Weyand, M.; Steegborn, C.: Ex-527 inhibits Sirtuins by exploiting their unique NAD+-dependent deacetylation mechanism. , Proceedings of the National Academy of Sciences of the United States of America 110 (2013), p. E2772-E2781
doi:10.1073/pnas.1303628110

Dolot, R.; Wlodarczyk, A.; Bujacz, G.D.; Nawrot, B.: Expression, purification, crystallization and preliminary X-ray crystallographic analysis of human histidine triad nucleotide-binding protein 2 (hHINT2). , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 783-787
doi:10.1107/S1744309113015200

Gabdulkhakov, A.G.; Fufina, T.Y.; Vasilieva, L.G.; Mueller, U.; Shuvalov, V.A.: Expression, purification, crystallization and preliminary X-ray structure analysis of wild-type and L(M196)H-mutant Rhodobacter sphaeroides reaction centres. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 506-509
doi:10.1107/S1744309113006398

Diensthuber, R. P.; Bommer, M.; Gleichmann, T.; Moeglich, A.: Full-Length Structure of a Sensor Histidine Kinase Pinpoints Coaxial Coiled Coils as Signal Transducers and Modulators. , Structure 21 (2013), p. 1127-1136
doi:10.1016/j.str.2013.04.024

Wenger, J.; Klinglmayr, E.; Frohlich, C.; Eibl, C.; Gimeno, A.; Hessenberger, M.; Puehringer, S.; Daumke, O.; Goettig, P.: Functional Mapping of Human Dynamin-1-Like GTPase Domain Based on X-ray Structure Analyses. , PLoS One 8 (2013), p. e71835/1-16
doi:10.1371/journal.pone.0071835

Murina, V.; Lekontseva, N.; Nikulin, A.: Hfq binds ribonucleotides in three different RNA-binding sites. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 1504-1513
doi:10.1107/S090744491301010X

Stelter, M.; Fandrich, U.; Franzke, K.; Schierhorn, A.; Breithaupt, C.; Parthier, C.; Stubbs, M.T.: High level expression of the Drosophila Toll receptor ectodomain and crystallization of its complex with the morphogen Spatzle. , Biological Chemistry 394 (2013), p. 1091-1096
doi:10.1515/hsz-2013-0136

Kudryashev, M.; Stenta, M.; Schmelz, S.; Amstutz, M.; Wiesand, U.; Castano-Diez, D.; Degiacomi, M.T.; Munnich, S.; Bleck, C.K.; Kowal, J.; Diepold, A.; Heinz, D.W.; Dal Peraro, M.; Cornelis, G.R.; Stahlberg, H.: In Situ Structural Analysis of the Yersinia Enterocolitica Injectisome. , eLife 2 (2013), p. 00792/1-23
doi:10.7554/eLife.00792

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

Funkner, A.; Parthier, C.; Schutkowski, M.; Zerweck, J.; Lilie, H.; Gyrych, N.; Fischer, G.; Stubbs, M.T.; Ferrari, D.M.: Peptide Binding by Catalytic Domains of the Protein Disulfide lsomerase-Related Protein ERp46. , Journal of Molecular Biology 425 (2013), p. 1340-1362
doi:10.1016/j.jmb.2013.01.029

Chang, A.; Schiebel, J.; Yu, W.; Bommineni, G.R.; Pan, P.; Baxter, M.V.; Khanna, A.; Sotriffer, C.A.; Kisker, C.; Tonge, P.J.: Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus Fabl Enzyme-Product Complex. , Biochemistry 52 (2013), p. 4217-4228
doi:10.1021/bi400413c

Zambelli, B.; Banaszak, K.; Merloni, A.; Kiliszek, A.; Rypniewski, W.; Ciurli, S.: Selectivity of Ni(II) and Zn(II) binding to Sporosarcina pasteurii UreE, a metallochaperone in the urease assembly: a calorimetric and crystallographic study. , Journal of Thrombosis and Haemostasis 18 (2013), p. 1005-1017
doi:10.1007/s00775-013-1049-6

Broeker, N.K.; Gohlke, U.; Müller, J.J.; Uetrecht, C.; Heinemann, U.; Seckler, R.; Barbirz, S.: Single amino acid exchange in bacteriophage HK620 tailspike protein results in thousand-fold increase of its oligosaccharide affinity. , Glycobiology 23 (2013), p. 59-68
doi:10.1093/glycob/cws126

Monecke, T.; Haselbach, D.; Voss, B.; Russek, A.; Neumann, P.; Thomson, E.; Hurt, E.; Zachariae, U.; Stark, H.; Grubmüler, H.; Dickmanns, A.; Ficner, R.: Structural basis for cooperativity of CRM1 export complex formation. , Proceedings of the National Academy of Sciences of the United States of America 110 (2013), p. 960-965
doi:10.1073/pnas.1215214110

Glotzbach, B.; Schmelz, S.; Reinwarth, M.; Christmann, A.; Heinz, D.W.; Kolmar, H.: Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III). , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 114-120
doi:10.1107/S0907444912043880

Griessl, M.H.; Schmid, B.; Kassler, K.; Braunsmann, C.; Ritter, R.; Barlag, B.; Stierhof, Y.-D.; Sturm, K.U.; Danzer, C.; Wagner, C.; Schaeffer, T.E.; Sticht, H.; Hensel, M.; Muller, Y.A.: Structural Insight into the Giant Ca2+-Binding Adhesin SiiE: Implications for the Adhesion of Salmonella enterica to Polarized Epithelial Cells. , Structure 21 (2013), p. 741-752
doi:10.1016/j.str.2013.02.020

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

Anders, K.; Daminelli-Widany, G.; Mroginski, M.A.; Von Stetten, D.; Essen, L.-O.: Structure of the Cyanobacterial Phytochrome 2 Photosensor Implies a Tryptophan Switch for Phytochrome Signaling. , Journal of Biological Chemistry 288 (2013), p. 35714
doi:10.1074/jbc.M113.510461

Nguyen, G.T.T.; Schaefer, S.; Gertz, M.; Weyand, M.; Steegborn, C.: Structures of human sirtuin 3 complexes with ADP-ribose and with carba-NAD+ and SRT1720: binding details and inhibition mechanism. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 1423-1432
doi:10.1107/S0907444913015448

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

Lüdtke, S.; Neumann, P.; Erixon, K.M.; Leeper, F.; Kluger, R.; Ficner, R.; Tittmann, K.: Sub-angström-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. , Nature Chemistry 5 (2013), p. 762 - 767
doi:10.1038/nchem.1728

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

Krug, U.; Totzauer, R.; Straeter, N.: The crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 represents a conformational intermediate in the reductive activation mechanism of the tetrameric enzyme. , Proteins - Structure, Function and Bioinformatics 81 (2013), p. 1271-1276
doi:10.1002/prot.24288

2012

Gertz, M.; Giang Thi Tuyet Nguyen, ; Fischer, F.; Suenkel, B.; Schlicker, C.; Fränzel, B.; Tomaschewski, J.; Aladini, F.; Becker, C.; Wolters, D.; Steegborn, C.: A Molecular Mechanism for Direct Sirtuin Activation by Resveratrol. , PLoS One 7 (2012), p. e49761/1-12
doi:10.1371/journal.pone.0049761

Sevvana, M.; Goetz, C.; Goeke, D.; Wimmer, C.; Berens, C.; Hillen, W.; Muller, Y.A.: An Exclusive α/β Code Directs Allostery in TetR-Peptide Complexes. , Journal of Molecular Biology 416 (2012), p. 46-56
doi:10.1016/j.jmb.2011.12.008

Czihal, P.; Knappe, D.; Fritsche, S.; Zahn, Mi.; Berthold, N.; Piantavigna, S.; Müller, U.; Van Dorpe, S.; Herth, N.; Binas, A.; Köhler, G.; De Spiegeleer, B.; Martin, L.L.; Nolte, O.; Sträter, N.; Alber, G.; Hoffmann, R.: Api88 Is a Novel Antibacterial Designer Peptide To Treat Systemic Infections with Multidrug-Resistant Gram-Negative Pathogens. , ACS Chemical Biology 7 (2012), p. 1281-1291
doi:10.1021/cb300063v

Gardill, B.R.; Vogl, M.R.; Lin, H.-Y.; Hammond, G.L; Muller, Y.A.: Corticosteroid-Binding Globulin: Structure-Function Implications from Species Differences. , PLoS One 7 (2012), p. e52759/1-11
doi:10.1371/journal.pone.0052759

Simeonov, P.; Zahn, M.; Sträter, N.; Zuchner, T.: Crystal structure of a supercharged variant of the human enteropeptidase light chain. , Proteins - Structure, Function and Bioinformatics 80 (2012), p. 1907-1910
doi:10.1002/prot.24084

Boumis, G.; Giardina, G.; Angelucci, F.; Bellelli, A.; Brunori, M.; Dimastrogiovanni, D.; Saccoccia, F.; Miele, A.E.: Crystal structure of Plasmodium falciparum thioredoxin reductase, a validated drug target. , Biochemical and Biophysical Research Communications 425 (2012), p. 806-811
doi:10.1016/j.bbrc.2012.07.156

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

Koch, B.; Kolenko, P.; Buchholz, M.; Ruiz Carrillo, D.; Parthier, C.; Wermann, M.; Rahfeld, J.-U.; Reuter, G.; Schilling, S.; Stubbs, M.T.; Demuth, H.-U.: Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs. , Biochemistry 51 (2012), p. 7383-7392
doi:10.1021/bi300687g

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

Xu, N.; Yu, S.; Moniot, S.; Weyand, M.; Blankenfeldt, W.: Crystallization and preliminary crystal structure analysis of the ligand-binding domain of PqsR (MvfR), the Pseudomonas quinolone signal (PQS) responsive quorum-sensing transcription factor of Pseudomonas aeruginosa. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 1034-1039
doi:10.1107/S1744309112032538

Mueller, Uwe: Data processing with XDSAPP. , 20. Jahrestagung der Deutschen Gesellschaft für Kristallographie DGK München, 12.03.2012 - 15.03.2012 (2012)

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

Kügler, J.; Schmelz, S.; Gentzsch, J.; Haid, S.; Pollmann, E.; van den Heuvel, J.; Franke, R.; Pietschmann, T.; Heinz, D.W.; Collins, J.: High Affinity Peptide Inhibitors of the Hepatitis C Virus NS3-4A Protease Refractory to Common Resistant Mutants. , Journal of Biological Chemistry 287 (2012), p. 39224-39232
doi:10.1074/jbc.M112.393843

Pietrzyk, A.J.; Panjikar, S.; Bujacz, A.; Mueller-Dieckmann, J.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: High-resolution structure of Bombyx mori lipoprotein 7: crystallographic determination of the identity of the protein and its potential role in detoxification. , Acta Crystallographica Section D - Biological Crystallography 68 (2012), p. 1140-1151
doi:10.1107/S0907444912021555

Barison, N.; Lambers, J.; Hurwitz, R.; Kolbe, M.: Interaction of MxiG with the cytosolic complex of the type III secretion system controls Shigella virulence. , The FASEB Journal 26 (2012), p. 1717-1726
doi:10.1096/fj.11-197160

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 416 (2012), p. 438-452
doi:10.1016/j.jmb.2011.12.057

Saccoccia, F.; Di Micco, P.; Boumis, G.; Brunori, M.; Koutris, I.; Miele, A.E.; Morea, V.; Sriratana, P.; Williams, D.L.; Bellelli, A.; Angelucci, F.: Moonlighting by Different Stressors: Crystal Structure of the Chaperone Species of a 2-Cys Peroxiredoxin. , Structure 20 (2012), p. 429-439
doi:10.1016/j.str.2012.01.004

Griessl, M.H.; Jungkunz, I.; Sonnewald, U.; Muller, Y.A.: Purification, crystallization and preliminary X-ray diffraction analysis of the Hsp40 protein CPIP1 from Nicotiana tabacum. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 236-239
doi:10.1107/S1744309111055928

Klinglmayr, E.; Wenger, J.; Mayr, S.; Bossy-Wetzel, E.; Puehringer, S.: Purification, crystallization and X-ray diffraction analysis of human dynamin-related protein 1 GTPase-GED fusion protein. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 1217-1221
doi:10.1107/S174430911203607X

Schiebel, J.; Chang, A.; Lu, H.; Baxter, M.V.; Tonge, P.J.; Kisker, C.: Staphylococcus aureus Fabl: Inhibition, Substrate Recognition, and Potential Implications for In Vivo Essentiality. , Structure 20 (2012), p. 802-813
doi:10.1016/j.str.2012.03.013

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

Schulz, E.C.; Roth, H.M.; Ankri, S.; Ficner, R.: Structure Analysis of Entamoeba histolytica DNMT2 (EhMeth). , PLoS One 7 (2012), p. e38728/1-11
doi:10.1371/journal.pone.0038728

Brvar, M.; Perdih, A.; Renko, M.; Anderluh, G.; Turk, D.; Solmajer, T.: Structure-Based Discovery of Substituted 4,5'-Bithiazoles as Novel DNA Gyrase Inhibitors. , Journal of Medicinal Chemistry 55 (2012), p. 6413-6426
doi:10.1021/jm300395d

Neu, U.; Hengel, H.; Baum, B.S.; Schowalter, R.M.; Macejak, D.; Gilbert, M.; Wakarchuk, W.W.; Imamura, A.; Ando, H.; Kiso, M.; Arnberg, N.; Garcea, R.L.; Peters, T.; Buck, C.B.; Stehle, T.: Structures of Merkel cell polyomavirus VP1 complexes define a sialic acid binding site required for infection. , PLoS Pathogens 8 (2012), p. e1002738/1-11
doi:10.1371/journal.ppat.1002738

Busschots, K.; Lopez-Garcia, L.A.; Lammi, C.; Stroba, A.; Zeuzem, S.; Piiper, A.; Alzari, P.M.; Neimanis, S.; Arencibia, J.M.; Engel, M.; Schulze, J.O.; Biondi, R.M.: Substrate-Selective Inhibition of Protein Kinase PDK1 by Small Compounds that Bind to the PIF-Pocket Allosteric Docking Site. , Chemistry & Biology 19 (2012), p. 1152-1163
doi:10.1016/j.chembiol.2012.07.017

2011

Maestre-Martinez, M.; Haupt, K.; Edlich, F.; Neumann, P.; Parthier, C.; Stubbs, M.T.; Fischer, G.; Luecke, C.: A charge-sensitive loop in the FKBP38 catalytic domain modulates Bcl-2 binding. , Journal of Molecular Recognition 24 (2011), p. 23-34
doi:10.1002/jmr.1020

Spjut, S.; Qian, W.; Bauer, J.; Storm, R.; Frängsmyr, L.; Stehle, T.; Arnberg, N.; Elofsson, M.: A Potent Trivalent Sialic Acid Inhibitor of Adenovirus Type 37 Infection of Human Corneal Cells. , Angewandte Chemie - International Edition 50 (2011), p. 6519-6521
doi:10.1002/anie.201101559

Haupt, C.; Morgado, I.; Kumar, S.T.; Parthier, C.; Bereza, M.; Hortschansky, P.; Stubbs, M.T.; Horn, U.; Fändrich, M.: Amyloid Fibril Recognition with the Conformational B10 Antibody Fragment Depends on Electrostatic Interactions. , Journal of Molecular Biology 405 (2011), p. 341-348
doi:10.1016/j.jmb.2010.10.059

Patton, G.C.; Stenmark, P.; Gollapalli, D.R.; Sevastik, R.; Kursula, P.; Flodin, S.; Schuler, H.; Swales, C.T.; Eklund, H.; Himo, F.; Nordlund, P.; Hedstrom, L.: Cofactor mobility determines reaction outcome in the IMPDH and GMPR (β-α)-8 Barrel Enzymes. , Nature Chemical Biology 7 (2011), p. 950-958
doi:10.1038/nchembio.693

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

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

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

Sturm, K.U.; Griessl, M.H.; Wagner, C.; Deiwick, J.; Hensel, M.; Muller, Y.A.: Crystallization and preliminary crystallographic analysis of an Ig-domain-encompassing fragment of the giant adhesion protein SiiE from Salmonella enterica. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 1371-1374
doi:10.1107/S1744309111032039

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

Koval, T.; Lipovova, P.; Podzimek, T.; Matousek, J.; Duskova, J.; Skalova, T.; Stepankova, A.; Hasek, J.; Dohnalek, J.: Crystallization of recombinant bifunctional nuclease TBN1 from tomato. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 124-128
doi:10.1107/S1744309110048177

Firczuk, M.; Wojciechowski, M.; Czapinska, H.; Bochtler, M.: DNA intercalation without flipping in the specific ThaI–DNA complex. , Nucleic Acids Research 39 (2011), p. 744-754
doi:10.1093/nar/gkq834

Sokolowska, M.; Czapinska, H.; Bochtler, M.: Hpy188I–DNA pre- and post-cleavage complexes - snapshots of the GIY-YIG nuclease mediated catalysis. , Nucleic Acids Research 39 (2011), p. 1554-1564
doi:10.1093/nar/gkq821

Pietrzyk, A.J.; Bujacz, A.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: Isolation, purification, crystallization and preliminary X-ray studies of two 30 kDa proteins from silkworm haemolymph. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 372-376
doi:10.1107/S1744309110054564

Kolenko, P.; Rozbesky, D.; Vanek, O.; Kopecky, V.; Hofbauerova, K.; Novak, P.; Pompach, P.; Hasek, J.; Skalova, T.; Bezouska, K.; Dohnalek, J.: Molecular architecture of mouse activating NKR-P1 receptors. , Journal of Structural Biology 175 (2011), p. 434-441
doi:10.1016/j.jsb.2011.05.001

Pflug, A.; de Oliveira, T.M.; Bossemeyer, D.; Engh, R.A.: Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase. , Biochemical Journal 440 (2011), p. 85-93
doi:10.1042/BJ20110592

Giardina, G.; Montioli, R.; Gianni, S.; Cellini, B.; Paiardini, A.; Voltattorni, C.B.; Cutruzzola, F.: Open conformation of human DOPA decarboxylase reveals the mechanism of PLP addition to Group II decarboxylases. , Proceedings of the National Academy of Sciences of the United States of America 108 (2011), p. 20514-20519
doi:10.1073/pnas.1111456108

Martinez, J.; Mancini, S.; Tauberger, E.; Weise, C.; Saenger, W.; Solioz, M.: Regulation and structure of YahD, a copper inducible α/β hydrolase of Lactococcus lactis IL1403. , FEMS Microbiology Letters 314 (2011), p. 57-66
doi:10.1111/j.1574-6968.2010.02144.x

Boumis, G.; Angelucci, F.; Bellelli, A.; Brunori, M.; Dimastrogiovanni, D.; Miele, A.E.: Structural and functional characterization of Schistosoma mansoni Thioredoxin. , Protein Science 20 (2011), p. 1069-1076
doi:10.1002/pro.634

Dickmanns, A.; Damerow, S.; Neumann, P.; Schulz, E.-C.; Lamerz, A.-C.; Routier, F.H.; Ficner, R.: Structural Basis for the Broad Substrate Range of the UDP-Sugar Pyrophosphorylase from Leishmania major. , Journal of Molecular Biology 405 (2011), p. 461-478
doi:10.1016/j.jmb.2010.10.057

Schulz, E.C.; Tietzel, M.; Tovy, A.; Ankri, S.; Ficner, R.: Structure analysis of Entamoeba histolytica enolase. , Acta Crystallographica Section D - Biological Crystallography 67 (2011), p. 619-627
doi:10.1107/S0907444911016544

Dohnalek, J.; Koval, T.; Lipovova, P.; Podzimek, T.; Matousek, J.: Structure analysis of group I plant nucleases. , Journal of Synchrotron Radiation 18 (2011), p. 29 - 30
doi:10.1107/S0909049510030700

Zarzycki, M.; Kolodziejczyk, R.; Maciaszczyk-Dziubinska, E.; Wysocki, R.; Jaskolski, M.; Dzugaj, A.: Structure of E69Q mutant of human muscle fructose-1,6-bisphosphatase. , Acta Crystallographica Section D - Biological Crystallography 67 (2011), p. 1028-1034
doi:10.1107/S090744491104385X

Skalova, T.; Duskova, J.; Hasek, J.; Stepankova, A.; Koval, T.; Ostergaard, L.H.; Dohnaklek, J.: Structure of laccase from Streptomyces coelicolor after soaking with potassium hexacyanoferrate and at an improved resolution of 2.3 Å. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 27-32
doi:10.1107/S1744309110046099

Gao, S.; von der Malsburg, A.; Dick, A.; Faelber, K.; Schröder, G.F.; Haller, O.; Kochs, G.; Daumke, O.: Structure of Myxovirus Resistance Protein A Reveals Intra- and Intermolecular Domain Interactions Required for the Antiviral Function. , Immunity 35 (2011), p. 514-525
doi:10.1016/j.immuni.2011.07.012

Kolenko, P.; Rozbesky, D.; Vanek, O.; Bezouska, K.; Hasek, J.; Dohnalek, J.: Structure of the H107R variant of the extracellular domain of mouse NKR-P1A at 2.3 Å resolution. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 1519-1523
doi:10.1107/S1744309111046203

Tarnawski, M.; Krzywda, S.; Bialek, W.; Jaskolski, M.; Szczepaniak, A.: Structure of the RuBisCO chaperone RbcX from the thermophilic cyanobacterium Thermosynechococcus elongatus. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 851-857
doi:10.1107/S1744309111018860

Jaciuk, M.; Nowak, E.; Skowronek, K.; Tanska, A.; Nowotny, M.: Structure of UvrA nucleotide excision repair protein in complex with modified DNA. , Nature Structural & Molecular Biology 18 (2011), p. 191-198
doi:10.1038/nsmb.1973

Ruiz-Carrillo, D.; Koch, B.; Parthier, C.; Wermann, M.; Dambe, T.; Buchholz, M.; Ludwig, H.-H.; Heiser, U.; Rahfeld, J.-U.; Stubbs, M.T.; Schilling, S.; Demuth, H.-U.: Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center. , Biochemistry 50 (2011), p. 6280-6288
doi:10.1021/bi200249h

Lorenz, S.H.; Jakob, R.P.; Weininger, U.; Balbach, J.; Dobbek, H.; Schmid, F.X.: The Filamentous Phages Fd and If1 Use Different Mechanisms to Infect Escherichia Coli. , Journal of Molecular Biology 405 (2011), p. 989-1003
doi:10.1016/j.jmb.2010.11.030

Wrase, R.; Scott, H.; Hilgenfeld, R.; Hansen, G.: The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies. , Proceedings of the National Academy of Sciences of the United States of America 108 (2011), p. 10490-10495
doi:10.1073/pnas.1101084108

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

Skalova, T.; Duskova, J.; Hasek, J.; Kolenko, P.; Stepankova, A.; Dohnalek, J.: Alternative polymer precipitants for protein crystallization. , Journal of Applied Crystallography 43 (2010), p. 737-742
doi:10.1107/S0021889810014317

Kiliszek, A.; Kierzek, R.; Krzyzosiak, W.J.; Rypniewski, W.: Atomic resolution structure of CAG RNA repeats: structural insights and implications for the trinucleotide repeat expansion diseases. , Nucleic Acids Research 38 (2010), p. 8370-8376
doi:10.1093/nar/gkq700

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

Löw, C.; Neumann, P.; Tidow, H.; Weininger, U.; Haupt, C.; Friedrich-Epler, B.; Scholz, C.; Stubbs, M.T.; Balbach, J.: Crystal Structure Determination and Functional Characterization of the Metallochaperone SlyD from Thermus thermophilus. , Journal of Molecular Biology 398 (2010), p. 375-390
doi:10.1016/j.jmb.2010.03.014

Kolodziejczyk, R.; Michalska, K.; Hernandez-Santoyo, A.; Wahlbom, M.; Grubb, A.; Jaskolski, M.: Crystal structure of human cystatin C stabilized against amyloid formation. , FEBS Journal 277 (2010), p. 1726-1737
doi:10.1111/j.1742-4658.2010.07596.x

Michalska, K.; Fernandes, H.; Sikorski, M.; Jaskolski, M.: Crystal structure of Hyp-1, a St. John's wort protein implicated in the biosynthesis of hypericin. , Journal of Structural Biology 169 (2010), p. 161-171
doi:10.1016/j.jsb.2009.10.008

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

Sviridova, E.; Bumba, L.; Rezacova, P.; Prochazkova, K.; Kavan, D.; Bezouska, K.; Kuty, M.; Sebo, P.; Smatanova, I.K.: Crystallization and preliminary crystallographic characterization of the iron-regulated outer membrane lipoprotein FrpD from Neisseria meningitidis. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 1119-1123
doi:10.1107/S174430911003215X

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

Schmidt, F.; Treiber, N.; Zocher, G.; Bjelic, S.; Steinmetz, M.O.; Kalbacher, H.; Stehle, T.; Dodt, G.: Insights into peroxisome function from the structure of PEX3 in complex with a soluble fragment of PEX19. , Journal of Biological Chemistry 285 (2010), p. 25410-25417
doi:10.1074/jbc.M110.138503

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

Rao, Y.; Ma, Q.; Vahedi-Faridi, A.; Sundborger, A.; Pechstein, A.; Puchkov, D.; Luo, L.; Shupliakov, O.; Saenger, W.; Haucke, V.: Molecular basis for SH3 domain regulation of F-Bar-mediated membrane deformation. , Proceedings of the National Academy of Sciences of the United States of America 107 (2010), p. 8213-8218
doi:10.1073/pnas.1003478107

Dahms, S.O.; Hoefgen, S.; Roeser, D.; Schlott, B.; Gührs, K.-H.; Than, M.E.: Structure and biochemical analysis of the heparin-induced E1 dimer of the amyloid precursor protein. , Proceedings of the National Academy of Sciences of the United States of America 107 (2010), p. 5381-5386
doi:10.1073/pnas.0911326107

Janiak, V.; Petersen, M.; Zentgraf, M.; Klebe, G.; Heine, A.: Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth. , Acta Crystallographica Section D - Biological Crystallography 66 (2010), p. 593-603
doi:10.1107/S0907444910006360

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

Sokolowska, M.; Czapinska, H.; Bochtler, M.: Crystal structure of the bba-Me type II restriction endonuclease Hpy99I with target DNA. , Nucleic Acids Research 37 (2009), p. 3799–3810
doi:10.1093/nar/gkp228

Hasselt, K.; Sevvana, M.; Burkovski, A.; Muller, Y.A.: Crystallization and preliminary crystallographic analysis of the global nitrogen regulator AmtR from Corynebacterium glutamicum. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 65 (2009), p. 1123-1127
doi:10.1107/S174430910903663X

Angelucci, F.; Sayed, A.A.; Williams, D.L.; Boumis, G.; Brunori, M.; Dimastrogiovanni, D.; Miele, A.E.; Pauly, F.; Bellelli, A.: Inhibition of Schistosoma mansoni Thioredoxin-glutathione Reductase by Auranofin : Structural and Kinetic Aspects. , Journal of Biological Chemistry 284 (2009), p. 28977-28985
doi:10.1074/jbc.M109.020701

Federici, L.; Lo Sterzo, C.; Pezzola, S.; Di Matteo, A.; Scaloni, F.; Federici, G.; Caccuri, A.M.: Structural Basis for the Binding of the Anticancer Compound 6-(7-Nitro-2,1,3-Benzoxadiazol-4-Ylthio)Hexanol to Human Glutathione S-Transferases. , Cancer Research 69 (2009), p. 8025-8034
doi:10.1158/0008-5472.CAN-09-1314

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