Publications

2017
149.Diederichs, K., Wang, M. (2017) Serial Synchrotron X-Ray Crystallography (SSX). Methods Mol Biol. 1607:239-272 PDF
148.Betz, K., Kimoto, M., Diederichs, K., Hirao, I., Marx, A. (2017) Structural Basis for Expansion of the Genetic Alphabet with an Artificial Nucleobase Pair. Angew Chem Int Ed Engl. 56:12000-12003 PDF
147.Diederichs, K. (2017) Dissecting random and systematic differences between noisy composite data sets.
Acta Cryst. D73, 286-293.
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146.

Nöll, A., Thomas, C., Herbring, V., Zollmann, T., Barth, K., Mehdipour, A.R., Tomasiak, T.M., Brüchert, S., Joseph, B., Abele, R.,  Oliéric, V., Wang, M., Diederichs, K., Hummer, G.,  Stroud, R.M.,  Pos, K.M., and Tampé, R. (2017) Structure and mechanistic basis of a functional homolog of the antigen transporter TAP.
PNAS 114, E438-E447.

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2016  
145. Hungler, A., Momin, A., Diederichs, K. and Arold, S.T. (2016) ContaMiner and ContaBase: a webserver and database for early identification of unwantedly crystallized protein contaminants.
J. Appl. Cryst. 49, 2252-2258.
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144. Hottin, A., Betz, K., Diederichs, K. and Marx, A. (2016) Structural basis for the KlenTaq DNA Polymerase catalyzed Incorporation of Alkene- versus Alkyne-modified Nucleotides.
Chemistry 23, 2109-2118.
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143. Postel, S., Deredge, D., Bonsor, D.A., Yu, X., Diederichs, K., Helmsing, S., Vromen, A., Friedler, A., Hust, M., Egelman, E.H., Beckett, D., Wintrode, P.L., Sundberg, E.J. (2016) Bacterial flagellar capping proteins adopt diverse oligomeric states.
eLife 2016;5:e18857
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142. Weiss, MS, Diederichs, K., Read, R.J., Panjikar, S., Van Duyne, G.D., Matera, G.A., Fischer, U., Grimm, C. (2016) A critical examination of the recently reported crystal structures of the human SMN protein.
Hum. Mol. Genet. [Epub ahead of print]
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141. White, T.A., Mariani, V., Brehm, W,. Yefanov, O., Barty, A., Beyerlein, K.R., Chervinskii, F., Galli, L., Gati, C., Nakane, T., Tolstikova, A., Yamashita, K., Yoon, C.H., Diederichs, K., Chapman, H.N. (2016) Recent developments in CrystFEL.
J. Appl. Cryst. 49, 680-689.
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140. Meyer PA, Socias S, Key J, Ransey E, Tjon EC, Buschiazzo A, Lei M, Botka C, Withrow J, Neau D, Rajashankar K, Anderson KS, Baxter RH, Blacklow SC, Boggon TJ, Bonvin AM, Borek D, Brett TJ, Caflisch A, Chang CI, Chazin WJ, Corbett KD, Cosgrove MS, Crosson S, Dhe-Paganon S, Di Cera E, Drennan CL, Eck MJ, Eichman BF, Fan QR, Ferré-D'Amaré AR, Christopher Fromme J, Garcia KC, Gaudet R, Gong P, Harrison SC, Heldwein EE, Jia Z, Keenan RJ, Kruse AC, Kvansakul M, McLellan JS, Modis Y, Nam Y, Otwinowski Z, Pai EF, Pereira PJ, Petosa C, Raman CS, Rapoport TA, Roll-Mecak A, Rosen MK, Rudenko G, Schlessinger J, Schwartz TU, Shamoo Y, Sondermann H, Tao YJ, Tolia NH, Tsodikov OV, Westover KD, Wu H, Foster I, Fraser JS, Maia FR, Gonen T, Kirchhausen T, Diederichs K, Crosas M, Sliz P. (2016)
Nature Commun. 7,10882.
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139. Assmann, G., Brehm, W. and Diederichs, K. (2016) Identification of rogue datasets in serial crystallography (2016)
J. Appl. Cryst. 49, 1021-1028.
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138. Fukuda, Y., Tse, K.M., Suzuki, M., Diederichs, K., Hirata, K., Nakane, T., Sugahara, M., Nango, E., Tono, K., Joti, Y., Kameshima, T., Song, C., Hatsui, T., Yabashi, M., Nureki, O., Matsumura, H., Inoue, T., Iwata, S., Mizohata, E. (2016) Redox-coupled structural changes in nitrite reductase revealed by serial femtosecond and microfocus crystallography.
J. Biochem. 159, 527-538.
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137. Huang, C.Y., Olieric, V., Ma, P., Howe, N., Vogeley, L., Liu, X., Warshamanage, R., Weinert, T., Panepucci, E., Kobilka, B., Diederichs, K., Wang, M., Caffrey, M. (2015) In meso in situ serial X-ray crystallography of soluble and membrane proteins at cryogenic temperatures.
Acta Cryst. D72, 93-112.
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2015
136. Li, D., Stansfeld, P., Sansom, M., Keogh, A., Vogeley, L., Howe, N., Lyons, J., Aragao, D., Fromme, P., Fromme, R., Basu, S., Grotjohann, I., Kupitz, C., Rendek, K., Weierstall, U., Zatsepin, N., Cherezov, V., Liu, W., Bandaru, S., English, N., Gati, C., Barty, A., Yefanov, O., Chapman, H., Diederichs, K., Messerschmidt, M., Boutet, S., Williams, G., Seibert, M., Caffrey, M (2015) Ternary structure reveals mechanism of a membrane diacylglycerol kinase.
Nature Communications 6, 10140.
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135. Tanley, S.W., Diederichs, K., Kroon-Batenburg, L.M., Levy, C., Schreurs, A.M., Helliwell, J.R. (2015) Response from Tanley et al. to Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin.
Acta Cryst. D71, 1982-1983.
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134.

Pelz. J.P., Schindelin, H., van Pee, K., Kuper, J., Kisker, C., Diederichs, K., Fischer, U.,  Grimm, C. (2015) Crystallizing the 6S and 8S spliceosomal assembly intermediates: a complex project.
Acta Cryst. D71, 2040-2053.

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133. Hubrich, F., Juneja, P., Müller, M., Diederichs, K., Welte, W., Andexer, J.N. (2015) Chorismatase Mechanisms Reveal Fundamentally Different Types of Reaction in a Single Conserved Protein Fold.
J. Am. Chem. Soc. 137, 11032-11037.
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132. Ahmad, M.U., Waege, I., Hausner, W., Thomm, M., Boos, W., Diederichs, K., Welte, W. (2015) Structural insights into nonspecific binding of DNA by TrmBL2, an archaeal chromatin protein.
J. Mol. Biol. 427, 3216-3229.
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131. Diederichs, K. (2015) Crystallographic data and model quality. In Ennifer, E. (Ed.), Nucleic Acid Crystallography: Methods and Protocols, Methods in Molecular Biology 1320.
New York, NY: Springer, 147-173. Print.
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130. Karplus, P.A., Diederichs, K. (2015) Assessing and maximizing data quality in macromolecular crystallography.
Curr. Opin. Struct. Biol. 34, 60-68.

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129. Kang, Y., Zhou, X.E., Gao, X., He, Y., Liu, W., Ishchenko, A., Barty, A., White, T.A., Yefanov, O., Han, G.W., Xu, Q., de Waal, P.W., Ke, J., Tan, M.H., Zhang, C., Moeller, A., West, G.M., Pascal, B.D., Van Eps, N., Caro, L.N., Vishnivetskiy, S.A., Lee, R.J., Suino-Powell, K.M., Gu, X., Pal, K., Ma, J., Zhi, X., Boutet, S., Williams, G.J., Messerschmidt, M., Gati, C., Zatsepin, N.A., Wang, D., James, D., Basu, S., Roy-Chowdhury, S., Conrad, C.E., Coe, J., Liu, H., Lisova, S., Kupitz, C., Grotjohann, I., Fromme, R., Jiang, Y., Tan, M., Yang, H., Li, J., Wang, M., Zheng, Z., Li, D., Howe, N., Zhao, Y., Standfuss, J., Diederichs, K., Dong, Y., Potter, C.S., Carragher, B., Caffrey, M., Jiang, H., Chapman, H.N., Spence, J.C., Fromme, P., Weierstall, U., Ernst, O.P., Katritch, V., Gurevich, V.V., Griffin, P.R., Hubbell, W.L., Stevens, R.C., Cherezov, V., Melcher, K., Xu, H.E. (2015) Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature 523, 561-567.

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128. Huang, C.Y., Olieric, V., Ma, P., Panepucci, E., Diederichs, K., Wang, M., Caffrey, M. (2015) In meso in situ serial X-ray crystallography of soluble and membrane proteins.
Acta Cryst. D71, 1238-1256.

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127. Bonsor, D.A., Pham, K.T., Beadenkopf, R., Diederichs, K., Haas, R., Beckett, D., Fischer, W., Sundberg, E.J. (2015) Integrin engagement by the helical RGD motif of the Helicobacter pylori CagL protein is regulated by pH-induced displacement of a neighboring helix.
J. Biol. Chem. 290, 12929-12940.
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  2014  
126.

Steuber, J., Vohl, G., Casutt, M.S., Vorburger, T., Diederichs, K., Fritz, G. (2014) Structure of V. cholerae Na+-pumping NADH:quinone oxidoreductase.
Nature 515, 62-67.

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125.

Eicher, T., Seeger, M.A., Anselmi, C., Zhou, W., Brandstätter, L., Verrey, F., Diederichs, K., Faraldo-Gómez, J.D., Pos, K.M. (2014) Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB.
eLife 3, e03145

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124.

Tanley, S.W., Diederichs, K., Kroon-Batenburg, L.M., Levy, C., Schreurs, A.M., Helliwell, J.R. (2014) Carboplatin binding to histidine.
Acta Cryst. F70, 1135-1142.

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123.

Vohl, G., Nedielkov, R., Claussen, B., Casutt, MS., Vorburger, T., Diederichs, K., Möller, H.M., Steuber, J., Fritz, G. (2014) Crystallization and preliminary analysis of the NqrA and NqrC subunits of the Na+-translocating NADH:ubiquinone oxidoreductase from Vibrio cholerae.
Acta Cryst. F70, 987-992.

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122.

Albrecht, R., Schütz, M., Oberhettinger, P., Faulstich, M., Bermejo, I., Rudel, T., Diederichs, K., Zeth, K. (2014) Structure of BamA, an essential factor in outer membrane protein biogenesis.
Acta Cryst. D70, 1779-1789.

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121.

Juneja, P., Hubrich, F., Diederichs, K., Welte, W., Andexer, J.N. (2014) Mechanistic Implications for the Chorismatase FkbO Based on the Crystal Structure.
J. Mol. Biol. 426, 105-115.

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120.

Juneja, P., Rao, A., Cölfen, H., Diederichs, K., Welte, W. (2014) Crystallization and preliminary X-ray analysis of the C-type lectin domain of the spicule matrix protein SM50 from Strongylocentrotus purpuratus.
Acta. Cryst. F70, 260-262.

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119.

Brehm, W., Diederichs, K. (2014) Breaking the indexing ambiguity in serial crystallography.
Acta Cryst. D70, 101-109.

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  2013
118.

Betz, K., Malyshev, D.A., Lavergne, T., Welte, W., Diederichs, K., Romesberg, F.E., Marx, A. (2013) Structural Insights into DNA Replication without Hydrogen Bonds.
J Am Chem Soc. 135, 18637-18643.

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117.

Tanley, S.W.M., Diederichs, K., Kroon-Batenburg, L.M 2009 .J., Schreurs, A.M.M., Helliwell, J.R. (2013) Experiences with archived raw diffraction images data: capturing cisplatin after chemical conversion of carboplatin in high salt conditions for a protein crystal.
J. Synchrotron Radiat. 20, 880-883.

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116.

Blatter, N., Bergen, K., Nolte, O., Welte, W., Diederichs, K., Mayer, J., Wieland, M., Marx, A. (2013) Structure and function of an RNA-reading thermostable DNA polymerase.
Angew Chem Int Ed Engl.  52, 11935-11939.

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115.

Obeid, S., Bußkamp, H., Welte, W., Diederichs, K., Marx, A. (2013) Snapshot of a DNA polymerase while incorporating two consecutive C5-modified nucleotides.
J. Am. Chem. Soc. 135, 15667-15669.

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114.

Wu, M., Tong, S., Waltersperger, S., Diederichs, K., Wang, M., Zheng, L. (2013) Crystal structure of Ca2+/H+ antiporter protein YfkE reveals the mechanisms of Ca2+ efflux and its pH regulation.
Proc. Natl. Acad. Sci. U S A 110, 11367-11372.  

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 113. Diederichs, K., Karplus PA. (2013) Better models by discarding data?
Acta Cryst. D69, 1215-1222.
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112.

Bergen, K., Betz, K., Welte, W., Diederichs, K., Marx, A. (2013) Structures of KOD and 9°N DNA polymerases compexed with primer template duplex.
Chembiochem. 14, 1058-1062.

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111.

Krug, M., Lee, S.J., Boos, W., Diederichs, K., Welte, W. (2013) The three-dimensional structure of TrmB, a transcriptional regulator of dual function in the hyperthermophilic archaeon Pyrococcus furiosus in complex with sucrose.
Protein Science 22, 800-808.

 
110.

Grimm, C., Chari, A., Pelz, J.P., Kuper, J., Kisker, C., Diederichs, K., Stark, H., Schindelin, H., Fischer, U. (2013) Structural Basis of Assembly Chaperone- Mediated snRNP Formation.
Mol Cell 49, 692-703.

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  2012
109. Holzberger, B., Obeid, S., Welte, W., Diederichs, K., Marx, A. (2012) Structural insights into the potential of 4-fluoroproline to modulate biophysical properties of proteins.
Chemical Science 3, 2924-2931.
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108. 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. (2012) Structural and functional analysis of the NLRP4 pyrin domain.
Biochemistry 51,  7330-7341.
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107. Obeid, S., Bußkamp, H., Welte, W., Diederichs, K., Marx A. (2012) Interactions of non-polar and "Click-able" nucleotides in the confines of a DNA polymerase active site.
Chem Commun (Camb.) 48, 8320-8322.
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106. Bergen, K., Steck, A.L., Strütt, S., Baccaro, A., Welte, W., Diederichs, K., Marx, A. (2012) Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J. Am. Chem. Soc. 134, 11840-11843.
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105.

Betz, K., Malyshev, D.A., Lavergne, T., Welte, W., Diederichs, K., Dwyer, T.J., Ordoukhanian, P., Romesberg, F.E., Marx, A. (2012) KlenTaq polymerase replicates unnatural base pairs by inducing a Watson-Crick geometry.
Nat. Chem. Biol. 8, 612-614.

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104. Karplus P.A., Diederichs, K. (2012) Linking crystallographic model and data quality.
Science 336, 1030-1033.
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103. Obeid S., Welte W., Diederichs K., Marx A. (2012) Amino acid templating mechanisms in selection of nucleotides opposite abasic sites by a family A DNA polymerase.
J. Biol. Chem. 287, 14099-14108.
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102. Eicher, T., Cha, H.J., Seeger, M.A., Brandstätter, L., El-Delik, J., Bohnert, J.A., Kern, W.V., Verrey, F., Grütter, M.G., Diederichs, K., Pos, K.M. (2012) Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop.
Proc. Natl. Acad. Sci. USA. 109, 5687-5692.
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  2011  
101. Grädler, U., Fuchß, T., Ulrich, W.R., Boer, R., Strub, A., Hesslinger, C., Anézo, C., Diederichs, K., Zaliani, A. (2011) Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights.
Bioorg. Med. Chem. Lett. 21, 4228-4232.

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100. Obeid, S., Schnur, A., Gloeckner, C., Blatter, N., Welte, W., Diederichs, K., Marx, A. (2011) Learning from Directed Evolution: Thermus aquaticus DNA Polymerase Mutants with Translesion Synthesis Activity.
Chembiochem.
12, 1574-1580.
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99. Gieseking, S., Bergen, K., Di Pasquale, F., Diederichs, K., Welte, W., Marx, A. (2011) Human DNA polymerase β mutations allowing efficient abasic site bypass.
J. Biol. Chem. 286, 4011-4120.

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98. Domingo Köhler, S., Spitzbarth, M., Diederichs, K., Exner, T.E., Drescher, M. (2011) A short note on the analysis of distance measurements by electron paramagnetic resonance.
J. Magn. Reson. 208, 167-170.

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  2010  
97. Obeid, S., Baccaro, A., Welte, W., Diederichs, K., Marx, A. (2010) Structural basis for the synthesis of nucleobase modified DNA by Thermus aquaticus DNA polymerase.
Proc. Natl. Acad. Sci. USA 107, 21327-21331.

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96. Litzinger, S., Fischer, S., Polzer, P., Diederichs, K., Welte, W., Mayer C. (2010) Structural and Kinetic Analysis of Bacillus subtilis N-Acetylglucosaminidase Reveals a Unique Asp-His Dyad Mechanism.
J. Biol. Chem. 285, 35675-35684.
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95. Faust, A., Puehringer, S., Darowski, N., Panjikar, S., Diederichs, K., Mueller, U., Weiss, M. S. (2010) Update on the tutorial for learning and teaching macromolecular crystallography.
J. Appl. Cryst. 43, 1230-1237.
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94. Betz, K., Streckenbach, F., Schnur, A., Exner, T., Welte, W., Diederichs, K., Marx, A. (2010) Structures of DNA Polymerases Caught Processing Size-Augmented Nucleotide Probes.
Angew. Chem. Int. Ed. Engl. 49, 5181-5184.

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93. Schwefel, D., Maierhofer, C., Beck, J.G., Seeberger, S., Diederichs, K., Möller, H.M., Welte, W., Wittmann, V. (2010) Structural basis of multivalent binding to wheat germ agglutinin.
J. Am. Chem. Soc. 132, 8704-8719.

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92. Diederichs, K. (2010) Quantifying instrument errors in macromolecular X-ray data sets.
Acta Cryst. D66, 733-740.
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91. Piontek, K., Ullrich, R., Liers, C., Diederichs, K., Plattner, D.A., Hofrichter, M. (2010) Crystallization of a 45 kDa peroxygenase/peroxidase from the mushroom Agrocybe aegerita and structure determination by SAD utilizing only the haem iron.
Acta Cryst. F66, 693-698.
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90. Obeid, S., Blatter, N., Kranaster, R., Schnur, A., Diederichs, K., Welte, W., Marx, A. (2010) Replication through an abasic DNA lesion: structural basis for adenine selectivity.
EMBO J. 29, 1738-1747.

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  2009  
89. Meier, T., Krah, A., Bond, P.J., Pogoryelov, D., Diederichs. K., Faraldo-Gómez, J.D. (2009) Complete ion-coordination structure in the rotor ring of Na(+)-dependent F-ATP synthases.
J. Mol. Biol. 391, 498-507.
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88. Diederichs K. (2009) Simulation of X-ray frames from macromolecular crystals using a ray-tracing approach.
Acta Cryst. D65, 535-542.
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87. Brosig, A., Nesper, J., Boos, W., Welte, W., Diederichs, K. (2009) Crystal Structure of a Major Outer Membrane Protein from Thermus thermophilus HB27.
J. Mol. Biol. 385, 1445-1455.
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86. Diederichs, K., Junk, M. (2009) Post-processing intensity measurements at favourable dose values.
J. Appl. Cryst. 42, 48-57.
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85. Krieg, S., Huché, F., Diederichs, K., Izadi-Pruneyre, N., Lecroisey, A., Wandersman, C., Delepelaire, P., Welte, W. (2009) Heme uptake across the outer membrane as revealed by crystal structures of the receptor-hemophore complex.
Proc. Natl. Acad. Sci. USA 106, 1045-1050.
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  2008  
84. Seeger, M.A., Diederichs, K., Eicher, T., Brandstätter, L., Schiefner, A., Verrey, F., Pos, K.M. (2008) The AcrB Efflux Pump: Conformational Cycling and Peristalsis Lead to Multidrug Resistance.
Current Drug Targets 9, 729-749.
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83. Brosig, A., Nesper, J., Welte, W., Diederichs, K. (2008) Expression, crystallization and preliminary X-ray analysis of an outer membrane protein from Thermus thermophilus HB27.
Acta Cryst. F64, 533-536.
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82. Schiffer, A., Parey, K., Warkentin, E., Diederichs, K., Huber, H., Stetter, K.O., Kroneck, P.M., Ermler, U. (2008) Structure of the dissimilatory sulfite reductase from the hyperthermophilic archaeon Archaeoglobus fulgidus.
J. Mol. Biol. 379, 1063-1074.
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81. Nesper, J., Brosig, A., Ringler, P., Patel, G.J., Müller, S.A., Kleinschmidt, J.H., Boos, W., Diederichs, K., Welte, W. (2008) Omp85(Tt) from Thermus thermophilus HB27: an ancestral type of the Omp85 protein family.
J. Bacteriol. 190, 4568-4575.
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80. Vorburger, T., Zingg Ebneter, J., Wiedenmann, A., Morger, D., Weber, G., Diederichs, K., Dimroth, P., von Ballmoss, C. (2008) Arginine-induced conformational change in the c-ring/a-subunit interface of ATP synthase.
FEBS J. 275, 2137-2150.
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79. Seeger, M.A., Ballmoos, C.v., Eicher, T., Brandstätter, L., Verrey, F., Diederichs, K., Pos, K.M. (2008) Engineered disulfide bonds support the functional rotation mechanism of multidrug efflux pump AcrB.
Nature Struct. Biol. 15, 199-205.
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  2007  
78. Diederichs, K., Pos, K.M. (2007) Peristaltischer Antibiotika-Transport durch ein Multidrug-Resistenzprotein.
Biospektrum 7, 721-723.
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77. Mörtl, M., Sonderegger, P., Diederichs, K., Welte, W. (2007) The crystal structure of the ligand-binding module of human TAG-1 suggests a new mode of homophilic interaction.
Protein Science 16, 2174-2183.
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  2006  
76. Seeger, M.A., Schiefner, A., Eicher, T., Verrey, F., Diederichs, K., Pos, K.M. (2006) Structural asymmetry of AcrB trimer suggests a peristaltic pump mechanism.
Science 313, 1295-1298.
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75.

Krug, M., Lee, S.J., Diederichs, K., Boos, W., Welte, W. (2006) Crystal structure of the sugar binding domain of the archaeal transcriptional regulator TrmB.
J. Biol. Chem. 281, 10976-10982.

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74. Diederichs, K. (2006) Some aspects of quantitative analysis and correction of radiation damage.
Acta Cryst. D62, 96-101.
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  2005  
73. Schiefner A., Gerber K., Seitz S., Welte W., Diederichs, K., Boos W. (2005) The crystal structure of Mlc, a global regulator of sugar metabolism in Escherichia coli.
J. Biol. Chem. 280,  29073-29079.
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72. Meier, T., Polzer, P., Diederichs, K., Welte, W., Dimroth, P. (2005) Structure of the Rotor Ring of F-Type Na+-ATPase from Ilyobacter tartaricus.
Science 308, 659-662.
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71. Weissenborn, R., Diederichs, K., Welte, W., Maret, G., Gisler, T. (2005) Non-thermal microwave effects on protein dynamics? An X-ray diffraction study on tetragonal lysozyme crystals.
Acta Cryst. D61, 163-172.
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70. Ködding, J., Killig, F., Polzer, P., Howard, S.P., Diederichs, K., Welte, W. (2005) Crystal structure of a 92-residue c-terminal fragment of TonB from Escherichia coli reveals significant conformational changes compared to structures of smaller TonB fragments.
J. Biol. Chem. 280, 3022-3028.
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  2004  
69. Köhler, R., Schäfer, K., Müller, S., Vignon, G., Diederichs, K., Philippsen, A., Ringler, P., Pugsley, A.P., Engel, A., Welte, W. (2004) Structure and assembly of the pseudopilin PulG.
Mol. Microbiol. 54, 647-664.
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68. Schiefner, A., Holtmann, G., Diederichs, K., Welte, W., Bremer, E. (2004) Structural basis for the binding of compatible solutes by ProX from the hyperthermophilic archaeon Archaeoglobus fulgidus.
J. Biol. Chem. 279, 48270-48281.
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67. Ködding, J., Polzer, P., Killig, F., Howard, S.P., Gerber, K., Seige, P., Diederichs, K., Welte, W. (2004) Crystallization and preliminary X-ray analysis of a C-terminal TonB fragment from Escherichia coli.
Acta Cryst. D60, 1281-1283.
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66. Pos, K.M., Schiefner, A., Seeger, M.A., Diederichs, K. (2004) Crystallographic analysis of AcrB.
FEBS Lett. 564, 333-339.
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65. Mörtl, M., Diederichs, K., Welte, W., Molla, G., Motteran, L., Andriolo, G., Pilone, M.S., Pollegioni, L. (2004) Structure-function correlation in glycine oxidase from Bacillus subtilis.
J. Biol. Chem. 279, 29718-29727.
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64. Weiss M.S., Mander G., Hedderich R., Diederichs, K., Ermler U., Warkentin E. (2004) Determination of a novel structure by a combination of long-wavelength sulfur phasing and radiation-damage-induced phasing.
Acta Cryst. D60, 686-695.
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63. Gerber K., Schiefner A., Seige P., Diederichs K., Boos W., Welte W. (2004) Crystallization and preliminary X-ray analysis of Aes, an acetyl-esterase from Escherichia coli.
Acta Cryst. D60, 531-533.
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62. Schäfer, K., Magnusson, U., Scheffel, F., Schiefner, A., Sandgren, M.O., Diederichs, K., Welte, W., Hülsmann, A., Schneider, E., Mowbray, S.L. (2004) X-ray Structures of the Maltose-Maltodextrin-binding Protein of the Thermoacidophilic Bacterium Alicyclobacillus acidocaldarius Provide Insight into Acid Stability of Proteins.
J. Mol. Biol. 335, 261-274.
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61. Schiefner, A., Breed, J., Bosser, L., Kneip, S., Gade, J., Holtmann, G., Diederichs, K., Welte, W., Bremer, E.  (2004) Cation-pi interactions as determinants for binding of the compatible solutes glycine betaine and proline betaine by the periplasmic ligand-binding protein ProX from Escherichia coli.
J. Biol. Chem. 279, 5588-5596.
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  2003  
60. Soroka, V., Kolkova,  K., Kastrup, J.S., Diederichs, K., Breed, J., Poulsen, F.M. Larsen, I.K., Welte, W., Berezin, V., Bock, E., Kasper, C. (2003) Structure and interactions of NCAM Ig1-2-3 suggest a novel zipper mechanism for homophilic adhesion.
Structure 11, 1291-1301.
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59. Diederichs, K., McSweeney, S., Ravelli, R. (2003) Zero-dose extrapolation as part of macromolecular synchrotron data reduction.
Acta Cryst. D59, 903-909.
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  2002  
58. Schiefner, A., Diederichs, K., Hashimoto, K., Boos, W., Welte, W. (2002) Crystallization and preliminary X-ray analysis of the trehalose/maltose ABC transporter MalFGK2 from Thermococcus litoralis.
Acta Cryst. D58, 2147-2149.
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57. Pollegioni, L., Diederichs, K., Molla, G., Umhau, S.,  Welte, W., Ghisla, S., Pilone, M.S. (2002) Yeast D-amino acid oxidase: structural basis of it catalytic properties.
J. Mol. Biol. 324, 535-546.
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56. Pos, K.M., Diederichs, K. (2002) Purification, crystallization and preliminary diffraction studies of AcrB, an inner-membrane multi-drug efflux protein.
Acta Cryst. D58, 1865-1867.
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55. Freigang, J., Diederichs, K., Schäfer, K.P., Welte, W., Paul, R. (2002) Crystal structure of oxidized flavodoxin, an essential protein in Helicobacter pylori.
Protein Science 11, 253-261.
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54. Müller, S., Diederichs, K., Breed, J., Kissmehl, R., Hauser, K., Plattner, H., Welte, W. (2002) Crystal Structure Analysis of the Exocytosis-Sensitive Phosphoprotein, pp63/parafusin (Phosphoglucomutase), from Paramecium Reveals Significant Conformational Variability.
J. Mol. Biol. 315, 141-153.
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53. Böhm, A., Diez, J., Diederichs, K., Welte, W., Boos, W. (2002) Structural Model of MalK, the ABC subunit of the maltose transporter of Escherischia coli: Implications for mal gene regulation, inducer exclusion and subunit assembly.
J. Biol. Chem. 277, 3708-3717.
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  2001  
52. Ferguson, A.D., Ködding, J., Walker, G., Bös, C., Coulton, J.W., Diederichs, K., Braun, V., Welte, W. (2001) Active Transport of an Antibiotic Rifamycin Derivative by the Outer Membrane Protein FhuA.
Structure 9, 707-716.
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51. Diederichs, K. (2001) Structure of the Outer Membrane Protein FhuA presents a Binding Mode for Lipopolysaccharide.
Nova Acta Leopoldina Supplementum Nr. 16, 33-3
 
50. Umhau, S., Fritz, G., Diederichs, K., Breed, J., Welte, W., Kroneck, P.M.H. (2001) The three-dimensional structure of the nonaheme cytochrome c from Desulfovibrio desulfuricans Essex in the Fe(III) state at 1.89 Å resolution.
Biochemistry 40, 1308-1316.
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49. Diez, J., Diederichs, K., Greller, G., Horlacher, R., Boos, W., Welte, W. (2001) The Crystal Structure of a Liganded Trehalose/Maltose-Binding Protein from the Hyperthermophilic Archaeon Thermococcus litoralis at 1.85 Å.
J. Mol. Biol. 305, 905-915.
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48. Lunin, V.Y., Lunina, N.L., Ritter, S., Frey, I., Berg, A., Diederichs, K., Podjarny, A.D., Urzhumtsev, A., Baumstark, M.W. (2001) Low Resolution Data Analysis for Low Density Lipoprotein Particle.
Acta Cryst. D57, 108-121.
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  2000  
47. Diederichs, K., Diez, J., Greller, G., Müller, C., Breed, J., Schnell, C., Vonrhein, C., Boos, W., Welte, W. (2000) Crystal Structure of MalK, the ATPase subunit of the trehalose/maltose ABC transporter of the archeon Thermococcus litoralis.
EMBO J. 19,  5951-5961.
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46. Umhau, S., Pollegioni, L., Molla, G., Diederichs, K., Welte, W., Pilone, M.S., Ghisla, S. (2000) The X-ray structure of D-amino acid oxidase at very high resolution identifies the chemical mechanism of flavin-dependent substrate dehydrogentation.
PNAS 97, 12463-12468.
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45.

Zeth, K., Diederichs, K., Welte, W., Engelhardt, H. (2000) Crystal structure of Omp32, the anion-selective porin from Comamonas acidovorans, in complex with a periplasmatic peptide at 2.1 Å resolution.
Structure 8, 981-992.

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44. Diederichs, K. (2000) Computing in macromolecular crystallography using a parallel architecture.
J. Appl. Cryst. 33, 1154-1161.
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43. Ferguson, A.D., Coulton, J.W., Diederichs, K., Welte, W. (2000) The ferric hydroxamate uptake receptor FhuA and related TonB-dependant transporters in the outer membrane of gram-negative bacteria.
In: Handbook of Metalloproteins (Wieghardt, K., Huber, R., Poulos, T.L., Messerschmidt, A., eds.) J. Wiley & Sons, Chichester, UK.
 
42. Ferguson, A.D., Welte, W., Hofmann, E., Lindner, B., Holst, O., Coulton, J.W., Diederichs, K. (2000) A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins.
Structure 8, 585-592.
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41. Ferguson, A.D., Braun, V., Fiedler, H.-P., Coulton, J.W., Diederichs, K., Welte, W. (2000) Crystal structure of the antibiotic albomycin in complex with the outer membrane transporter FhuA.
Protein Science 9, 956-963.
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40. Freigang, J., Proba, K., Leder, L., Diederichs, K., Sonderegger, P., Welte, W. (2000) The crystal structure of the ligand-binding module of axonin-1/TAG-1 suggests a zipper-mechanism for neural cell adhesion.
Cell 101, 425-433.
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39. Kleima, F.J., Hofmann, E., Gobets, B.,van Stokkum, I.H.M., van Grondelle, R., Diederichs, K., van Amerongen, H. (2000) Förster Excitation Energy Transfer in Peridinin-Chlorophyll-a Protein.
Biophys. J. 78, 344-353.
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  1999  
38. Schwarzenbacher, R., Zeth, K., Diederichs, K., Gries, A., Kostner, G.M., Laggner, P., Prassl, R. (1999) Crystal structure of human ß2-glykoprotein I: implications for phospholipid binding and the antiphospholipid syndrome.
EMBO J. 18, 6228-6239.
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37. Umhau, S., Diederichs, K., Welte, W., Ghisla, S., Pollegioni, L., Molla, G., Porrini, D., Pilone, M.S. (1999) Very high resolution crystal structure of D-amino acid oxidase. Insights into the reaction mechanism and mode of ligand binding.
In: Flavins and Flavoproteins 1999, Proceedings of the thirteenth international symposium Konstanz, Germany, August 29 - September 4, 1999. Pp 567-570. Ghisla, S., Kroneck, P., Macheoux, P., Sund, H. (eds.). Rudolf Weber, Berlin 1999.
 
36. Ritter, S., Hiller, R.G., Wrench, P.M., Welte, W., Diederichs, K. (1999) Crystal Structure of a phycourobilin-containing phycoerythrin at 1.90 Å resolution.
J. Struct. Biol. 126, 86-97.
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35. Ritter, S., Diederichs, K., Frey, I., Berg, A., Keul, J., Baumstark, M. (1999) Crystallization of human low density lipoprotein - a large lipid-protein complex - collection of X-ray data at very low resolution.
J. Cryst. Growth 196, 344-349.
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  1998  
34. Diederichs, K., Hofmann, E. (1998) Structural relation of peridinin-chlorophyll a-protein (PCP) and proteins with globin-like fold. A testable hypothesis for its folding and assembly pathway.
In: Proceedings of the NATO Advanced workshop "New Methods for the Study of Molecular Aggregates", (Standing, K. and Ens, W., Eds.), pp. 277-284. Kluwer Academic Publishers, Dordrecht, Niederlande.
 
33. Welte, W., Diederichs, K., Przybylski, M., Glocker, M., Benz, R., Breed, J. (1998) X-ray crystallographic and mass spectrometric structure determination and functional characterization of succinylated porin from R. capsulatus: Implications for ion selectivity and single-channel conductance.
In: Proceedings of the NATO Advanced workshop "New Methods for the Study of Molecular Aggregates", (Standing, K. and Ens, W., Eds.), pp. 239-276. Kluwer Academic Publishers, Dordrecht, Niederlande.
 
32. Przybylski, M., Schnaible, V., Kast, J., Bühler, S., Michels, J., Wattenberg, A., Fligge, T.A., Forst, D., Diederichs, K., Nestel, U., Zeth, K., Glocker, M.O., Welte,W. (1998) Approaches to the characterization of tertiary and supramolecular protein structures by combination of protein chemistry and mass spectrometry.
In: Proceedings of the NATO Advanced workshop "New Methods for the Study of Molecular Aggregates", (Standing, K. and Ens, W., Eds.), pp. 17-43. Kluwer Academic Publishers, Dordrecht, Niederlande.
 
31. Hars, U., Horlacher, R., Boos, W., Welte, W., Diederichs, K. (1998) Crystal Structure of the Effector-binding domain of the Trehalose-Repressor of Escherichia coli, a member of the LacI-family, in its Complexes with Inducer Trehalose-6-Phosphate and Non-Inducer Trehalose.
Protein Science 7, 2511-2521.
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30. Ferguson, A., Hofmann, E., Coulton, J.W., Diederichs, K., Welte, W. (1998) Siderophore-mediated iron transport: Crystal structure of FhuA with bound lipopolysaccharide.
Science 282, 2215-2220.
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29. Diederichs, K., Freigang, J., Umhau, S., Zeth, K., Breed, J. (1998) Prediction by a Neural Network of Outer Membrane ß-strand Protein Topology.
Protein Science 7, 2413-2420.
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28. Zeth, K., Schnaible, V., Przybylski, M., Welte, W., Diederichs, K., Engelhardt, H. (1998) Crystallization and preliminary X-ray crystallographic studies of the native and chemically modified anion-selective porin from Comamonas acidovorans.
Acta Cryst. D54, 650-653.
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27. Ferguson, A., Breed, J., Welte, W., Diederichs, K., Coulton, J.W. (1998) An internal affinity-tag for purification and crystallization of the siderophore receptor FhuA, integral outer membrane protein from Escherichia coli K-12.
Protein Science 7, 1636-1638.
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26. Forst, D., Welte, W., Wacker,T., Diederichs, K. (1998) Structure of ScrY, the sucrose-specific porin from Salmonella typhimurium, and its complex with sucrose.
Nature Struct. Biol. 5, 37-46.
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  1997  
25. Hofmann, E., Hiller, R.G., Welte W. and Diederichs, K. (1997) Light Harvesting by Carotenoids: Peridinin-Chlorophyll-Protein (PCP) from Amphidinium Carterae - Structural Relation to Proteins with Globin Fold.
Zeitschrift für Kristallographie 11 (Supplement), XXX.
24.

Ritter, S., Frey, I., Diederichs, K., Grathwohl, D., Keul, J., Baumstark, M.W. (1997) Crystallization and preliminary x-ray diffraction data of two different low density lipoprotein (LDL) subfractions.
Proteins: Structure, Function, and Genetics 28, 293-297.

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23. Srikumar, R., Dahan, D., Arhin, F.F., Tawa, P., Diederichs, K., Coulton, J.W. (1997) Porins of Haemophilus influenzae type b mutated in loop 3 and in loop 4.
J. Biol. Chem. 272, 13614-13621.
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22. Diederichs, K., Karplus, P.A. (1997) Improved R-factors for Diffraction Data Analysis in Macromolecular Crystallography.
Nature Struct. Biol. 4, 269-275.
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21. Hirsch, A., Breed, J., Saxena, K., Richter, O.-M.H., Ludwig, B., Diederichs, K., Welte, W. (1997) The structure of porin from Paracoccus denitrificans at 3.1Å resolution.
FEBS Letters 404, 208-210.
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20. Ritter, S., Hiller, R.G., Wrench, P.M., Wacker, T., Welte, W., Diederichs, K. (1997) Purification, crystallization and preliminary X-ray analysis of a phycourobilin-containing phycoerythrin.
Protein and Peptide Letters 4, 69-74.
  1996  
19. Rozwarski, D.A., Diederichs, K., Hecht, T., Boone, T., Karplus, P.A. (1996) Refined Crystal Structure and Mutagenesis of Human Granulocyte-Macrophage Colony Stimulating Factor.
Proteins: Structure, Function, and Genetics 26, 304-313.
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18. Przybylski, M., Glocker, M.O., Nestel, U., Schnaible, V., Diederichs, K., Weckesser, J., Schad, M., Schmid, A., Welte, W., Benz, R. (1996) X-Ray Crystallographic and Mass Spectrometric Structure Determination and Functional Characterisation of Succinylated Porin from Rhodobacter capsulatus: Implications for Ion Selectivity and Single-Channel Conductance.
Protein Science 5, 1477-1489.
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17. Hofmann, E., Wrench, P.M., Sharples, F.P., Hiller, R.G., Welte, W., Diederichs, K. (1996) Structural basis of light harvesting by carotenoids: peridinin-chlorophyll-protein from Amphidinium carterae.
Science 272, 1788-1791.
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16. Brizzolara, D., Cantow, H.-J., Diederichs, K., Keller, E., Domb, A.J. (1996) Mechanism of the Stereocomplex Formation between Enantiomeric Poly(lactide)s.
Macromolecules 29, 191-197.
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  1995  
15. Hirsch, A., Wacker, T., Weckesser, J., Diederichs, K., Welte, W. (1995) Purification, Characterization, Crystallization and Preliminary X-Ray Results from Paracoccus denitrificans Porin.
Proteins: Structure, Function, and Genetics 23, 282-284.
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14. Diederichs, K. (1995) Structural Superposition of Proteins with Unknown Alignment and Detection of Topological Similarity using a Six-dimensional Search Algorithm.
Proteins: Structure, Function, and Genetics 23, 187-195.
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13. Welte, W., Nestel, U., Wacker, T., Diederichs, K. (1995) Structure and Function of the Porin Channel. Kidney Int. 48, 930-940.
12. Bisig, D.A., Di Iorio, E.E., Diederichs, K., Winterhalter, K.H., Piontek, K. (1995) Crystal Structure of Asian Elephant (Elephas maximus) Cyano-Metmyoglobin at 1.78 Å Resolution.
J. Biol. Chem. 270, 20754-20762.
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11. Diederichs, K., Wacker, T., Hauk, J., Kreutz, W. and Welte, W. (1995) Molecular and Crystal Structure of an Amphiphile: 4'-Propoxybiphenyl-4-methyl-N,N-dimethylamineoxide.
Biochim. Biophys. Acta 1234, 244-248.
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  1994  
10. Diederichs, K. (1994) A comparison of some heavy-atom refinement and phasing programs.
In: Joint CCP4 and ESF-EACBM Newsletters on Protein Crystallography (Bailey, S. and Wilson, K., eds.) 31, 23-30.
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9. Diederichs, K. (1994) SUPERIMPOSE - a program for the unambiguous structural superposition of spatially related molecules, including macromolecules.
J. Appl. Cryst. 27, 436-437.
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  1993  
8. Forst, D., Schülein, K., Wacker, T., Diederichs, K., Kreutz, W., Benz, R., Welte, W. (1993) Crystallization and Preliminary X-ray Diffraction Analysis of ScrY, a Specific Bacterial Outer Membrane Porin.
J. Mol. Biol. 229, 258-262.
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  1991  
7. Diederichs, K., Boone, T., Karplus, P.A. (1991) Novel fold and putative receptor binding site of Granulocyte-Macrophage Colony-Stimulating Factor.
Science 254, 1779-1782.
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6. Diederichs, K., Jacques, S., Boone, T., Karplus, P.A. (1991) Low-resolution structure of recombinant human Granulocyte-Macrophage Colony Stimulating Factor.
J. Mol. Biol. 221, 55-60.
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5. Diederichs, K., Schulz, G.E. (1991) The refined structure of the complex between adenylate kinase from beef heart mitochondrial matrix and its substrate AMP at 1.85Å resolution.
J. Mol. Biol. 217, 541-549.
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  1990  
4. Diederichs, K., Schulz, G.E. (1990) Three-dimensional structure of the complex between the mitochondrial matrix adenylate kinase and its substrate AMP.
Biochemistry 29, 8138-8144.
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3.

Schulz, G.E., Müller, C.W., Diederichs, K. (1990) Induced-fit movements in adenylate kinases.
J. Mol. Biol. 213, 627-630.

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  1989  
2. Welte, W., Leonhard, M., Diederichs, K., Weltzien, H.U., Restall, C., Hall, C., Chapman, D. (1989) Stabilization of detergent solubilized Ca++-ATPase by polyethyleneglycol.
Biochim. Biophys. Acta 984, 193-199.
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  1985  
1. Diederichs, K., Welte, W., Kreutz, W. (1985) Determination of interaction forces between higher plant thylakoids and electron-density-profile evaluation using small-angle X-ray scattering.
Biochim. Biophys. Acta 809, 107-116.
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