Chemical Biology

Group Site:

Group Leader:

Prof. Stefan Knapp

Group Info

Research Areas

Our group is interested in molecular mechanism that regulate signaling molecules and in the exploration of such mechanism for the rational design of inhibitors. We particularly focus on protein kinases, epigenetic reader domains of the bromodomain family, phosphatases and complexes of these targets with regulatory proteins. Protein kinases have attracted a lot of attention as targets of therapeutic intervention in particular for the treatment of cancer and inflammation. This family also constitutes one of the largest protein families currently targeted by pharmaceutical industry. Due to the largely conserved active site and the large number of protein kinases in the human genome, development of specific inhibitors is a challenging task. However, structures of kinase inhibitor complexes have identified a number of strategies (such as inhibitor binding to inactive conformations and allosteric sites) that can be explored for the design of selective inhibitors. To facilitate drug development we have screened all kinases we have worked on against a library of commercially available ATP mimetic inhibitors. The large amount of accumulated screening data provides insight about the drugability of a certain target, initial hits for further development of inhibitors and cross-reactivity of commercially available inhibitors that are often used as tools in cell biology.

The Chemical Biology group is made up of a number of sub-groups:

Structures

To follow.

For now, feel free take a look at all the SGC's structures.

Group Members

Jon Elkins

Panagis Filippakopoulos

Kamal Abdul Azeez

Eidarus Salah

Marta Szklarz

Sarah Picaud

Ildiko Felletar

Oleg Federov

Apirat Chaikuad

Leila Alexander

http://users.ox.ac.uk/~wolf3196/

Jing Wang

Publications

2011

Debdab, M., Carreaux, F., Renault, S., Soundararajan, M., Fedorov, O., Filippakopoulos, P., Lozach, O., Babault, L., Tahtouh, T., Baratte, B., Ogawa, Y., Hagiwara, M., Eisenreich, A., Rauch, U., Knapp, S., Meijer, L., and Bazureau, J.P. (2011). Leucettines, a class of potent inhibitors of cdc2-like kinases and dual specificity, tyrosine phosphorylation regulated kinases derived from the marine sponge leucettamine B: modulation of alternative pre-RNA splicing. J Med Chem 54, 4172-4186.
Deutsch, G.B., Zielonka, E.M., Coutandin, D., Weber, T.A., Schafer, B., Hannewald, J., Luh, L.M., Durst, F.G., Ibrahim, M., Hoffmann, J., Niesen, F.H., Senturk, A., Kunkel, H., Brutschy, B., Schleiff, E., Knapp, S., Acker-Palmer, A., Grez, M., McKeon, F., and Dotsch, V. (2011). DNA damage in oocytes induces a switch of the quality control factor TAp63alpha from dimer to tetramer. Cell 144, 566-576.
Fedorov, O., Huber, K., Eisenreich, A., Filippakopoulos, P., King, O., Bullock, A.N., Szklarczyk, D., Jensen, L.J., Fabbro, D., Trappe, J., Rauch, U., Bracher, F., and Knapp, S. (2011). Specific CLK inhibitors from a novel chemotype for regulation of alternative splicing. Chem Biol 18, 67-76.
Feng, L., Geisselbrecht, Y., Blanck, S., Wilbuer, A., Atilla-Gokcumen, G.E., Filippakopoulos, P., Kraling, K., Celik, M.A., Harms, K., Maksimoska, J., Marmorstein, R., Frenking, G., Knapp, S., Essen, L.O., and Meggers, E. (2011). Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors. J Am Chem Soc 133, 5976-5986.
Hewings, D.S., Wang, M., Philpott, M., Fedorov, O., Uttarkar, S., Filippakopoulos, P., Picaud, S., Vuppusetty, C., Marsden, B., Knapp, S., Conway, S.J., and Heightman, T.D. (2011). 3,5-Dimethylisoxazoles Act As Acetyl-lysine-mimetic Bromodomain Ligands. J Med Chem. in press
Miduturu, C.V., Deng, X., Kwiatkowski, N., Yang, W., Brault, L., Filippakopoulos, P., Chung, E., Yang, Q., Schwaller, J., Knapp, S., King, R.W., Lee, J.D., Herrgard, S., Zarrinkar, P., and Gray, N.S. (2011). High-Throughput Kinase Profiling: A More Efficient Approach toward the Discovery of New Kinase Inhibitors. Chem Biol 18, 868-879.
Philpott, M., Yang, J., Tumber, T., Fedorov, O., Uttarkar, S., Filippakopoulos, P., Picaud, S., Keates, T., Felletar, I., Ciulli, A., Knapp, S., and Heightman, T.D. (2011). Bromodomain-peptide displacement assays for interactome mapping and inhibitor discovery. Mol Biosyst 7, 2899-2908.
Salah, E., Ugochukwu, E., Barr, A.J., von Delft, F., Knapp, S., and Elkins, J.M. (2011). Crystal structures of ABL-related gene (ABL2) in complex with imatinib, tozasertib (VX-680), and a type I inhibitor of the triazole carbothioamide class. J Med Chem 54, 2359-2367.
Zadjali, F., Pike, A.C., Vesterlund, M., Sun, J., Wu, C., Li, S.S., Ronnstrand, L., Knapp, S., Bullock, A.N., and Flores-Morales, A. (2011). Structural basis for c-KIT inhibition by the suppressor of cytokine signaling 6 (SOCS6) ubiquitin ligase. J Biol Chem 286, 480-490.

2010

Brault, L., Gasser, C., Bracher, F., Huber, K., Knapp, S., and Schwaller, J. (2010). PIM serine/threonine kinases in the pathogenesis and therapy of hematologic malignancies and solid cancers. Haematologica 95, 1004-1015.
Eswaran, J., and Knapp, S. (2010). Insights into protein kinase regulation and inhibition by large scale structural comparison. Biochim Biophys Acta 1804, 429-432.
Fedorov, O., Muller, S., and Knapp, S. (2010). The (un)targeted cancer kinome. Nat Chem Biol 6, 166-169.
Filippakopoulos, P., Qi, J., Picaud, S., Shen, Y., Smith, W.B., Fedorov, O., Morse, E.M., Keates, T., Hickman, T.T., Felletar, I., Philpott, M., Munro, S., McKeown, M.R., Wang, Y., Christie, A.L., West, N., Cameron, M.J., Schwartz, B., Heightman, T.D., La Thangue, N., French, C.A., Wiest, O., Kung, A.L., Knapp, S*., and Bradner, J.E*. (2010). Selective inhibition of BET bromodomains. Nature 468, 1067-1073.(*shared correspondence)
Kwiatkowski, N., Jelluma, N., Filippakopoulos, P., Soundararajan, M., Manak, M.S., Kwon, M., Choi, H.G., Sim, T., Deveraux, Q.L., Rottmann, S., Pellman, D., Shah, J.V., Kops, G.J., Knapp, S., and Gray, N.S. (2010). Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. Nat Chem Biol 6, 359-368.
Lopez-Ramos, M., Prudent, R., Moucadel, V., Sautel, C.F., Barette, C., Lafanechere, L., Mouawad, L., Grierson, D., Schmidt, F., Florent, J.C., Filippakopoulos, P., Bullock, A.N., Knapp, S., Reiser, J.B., and Cochet, C. (2010). New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights. FASEB J 24, 3171-3185.
Muller, S., and Knapp, S. (2010). Targeting kinases for the treatment of inflammatory disease. Expert Opinion in Drug Discovery 5, 867-881.
Radwanska, K., Tudor-Jones, A.A., Mizuno, K., Pereira, G.S., Lucchesi, W., Alfano, I., Lach, A., Kaczmarek, L., Knapp, S., and Giese, K.P. (2010). Differential regulation of CaMKII inhibitor beta protein expression after exposure to a novel context and during contextual fear memory formation. Genes Brain Behav 9, 648-657.
Record, C.J., Chaikuad, A., Rellos, P., Das, S., Pike, A.C., Fedorov, O., Marsden, B.D., Knapp, S., and Lee, W.H. (2010). Structural comparison of human mammalian ste20-like kinases. PLoS One 5, e11905.
Rellos, P., Pike, A.C., Niesen, F.H., Salah, E., Lee, W.H., von Delft, F., and Knapp, S. (2010). Structure of the CaMKIIdelta/calmodulin complex reveals the molecular mechanism of CaMKII kinase activation. PLoS Biol 8, e1000426.
Wang, M., Mok, M.W., Harper, H., Lee, W.H., Min, J., Knapp, S., Oppermann, U., Marsden, B., and Schapira, M. (2010). Structural genomics of histone tail recognition. Bioinformatics 26, 2629-2630.

2009

Barr, A.J., and Knapp, S. (2009). Scale Structural Analysis of Protein Tyrosine Phosphatases. Handbook in Cell Signalling 2nd Edition Eds Bradshaw & Dennis.
Barr, A.J., Ugochukwu, E., Lee, W.H., King, O.N., Filippakopoulos, P., Alfano, I., Savitsky, P., Burgess-Brown, N.A., Muller, S., and Knapp, S. (2009). Large-scale structural analysis of the classical human protein tyrosine phosphatome. Cell 136, 352-363.
Bullock, A.N., Das, S., Debreczeni, J.E., Rellos, P., Fedorov, O., Niesen, F.H., Guo, K., Papagrigoriou, E., Amos, A.L., Cho, S., Turk, B.E., Ghosh, G., and Knapp, S. (2009). Kinase domain insertions define distinct roles of CLK kinases in SR protein phosphorylation. Structure 17, 352-362.
Bullock, A.N., Russo, S., Amos, A., Pagano, N., Bregman, H., Debreczeni, J.E., Lee, W.H., von Delft, F., Meggers, E., and Knapp, S. (2009). Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor. PLoS One 4, e7112.
Coutandin, D., Lohr, F., Niesen, F.H., Ikeya, T., Weber, T.A., Schafer, B., Zielonka, E.M., Bullock, A.N., Yang, A., Guntert, P., Knapp, S., McKeon, F., Ou, H.D., and Dotsch, V. (2009). Conformational stability and activity of p73 require a second helix in the tetramerization domain. Cell Death Differ 16, 1582-1589.
Elkins, J.M., Amos, A., Niesen, F.H., Pike, A.C., Fedorov, O., and Knapp, S. (2009). Structure of dystrophia myotonica protein kinase. Protein Sci 18, 782-791.
Eswaran, J., Patnaik, D., Filippakopoulos, P., Wang, F., Stein, R.L., Murray, J.W., Higgins, J.M., and Knapp, S. (2009). Structure and functional characterization of the atypical human kinase haspin. Proc Natl Acad Sci U S A 106, 20198-20203.
Eswaran, J., Soundararajan, M., and Knapp, S. (2009). Targeting group II PAKs in cancer and metastasis. Cancer Metastasis Rev 28, 209-217.
Filippakopoulos, P., Muller, S., and Knapp, S. (2009). SH2 domains: modulators of nonreceptor tyrosine kinase activity. Curr Opin Struct Biol 19, 643-649.
Gingras, M.C., Zhang, Y.L., Kharitidi, D., Barr, A.J., Knapp, S., Tremblay, M.L., and Pause, A. (2009). HD-PTP is a catalytically inactive tyrosine phosphatase due to a conserved divergence in its phosphatase domain. PLoS One 4, e5105.
Grundler, R., Brault, L., Gasser, C., Bullock, A.N., Dechow, T., Woetzel, S., Pogacic, V., Villa, A., Ehret, S., Berridge, G., Spoo, A., Dierks, C., Biondi, A., Knapp, S., Duyster, J., and Schwaller, J. (2009). Dissection of PIM serine/threonine kinases in FLT3-ITD-induced leukemogenesis reveals PIM1 as regulator of CXCL12-CXCR4-mediated homing and migration. J Exp Med 206, 1957-1970.
Huber, K., Feyen, O., Ruschendorf, F., Knapp, S., and Borkhardt, A. (2009). Identification of a novel primary immunodeficiency syndrome leading to an XLP-like phenotype in girls. EUR J PEDIATR 168, 380.
Huck, K., Feyen, O., Niehues, T., Ruschendorf, F., Hubner, N., Laws, H.J., Telieps, T., Knapp, S., Wacker, H.H., Meindl, A., Jumaa, H., and Borkhardt, A. (2009). Girls homozygous for an IL-2-inducible T cell kinase mutation that leads to protein deficiency develop fatal EBV-associated lymphoproliferation. J Clin Invest 119, 1350-1358.
Kimple, A.J., Soundararajan, M., Hutsell, S.Q., Roos, A.K., Urban, D.J., Setola, V., Temple, B.R., Roth, B.L., Knapp, S., Willard, F.S., and Siderovski, D.P. (2009). Structural determinants of G-protein alpha subunit selectivity by regulator of G-protein signaling 2 (RGS2). J Biol Chem 284, 19402-19411.
Muller, S., and Knapp, S. (2009). Out of the box binding determines specificity of SH2 domain interaction. Structure 17, 1040-1041.
Scheeff, E.D., Eswaran, J., Bunkoczi, G., Knapp, S., and Manning, G. (2009). Structure of the pseudokinase VRK3 reveals a degraded catalytic site, a highly conserved kinase fold, and a putative regulatory binding site. Structure 17, 128-138.
Telieps, T., Huck, K., Feyen, O., Niehues, T., Ruschendorf, F., Hubner, N., Laws, H.J., Knapp, S., Wacker, H.H., Meindl, A., Jumaa, H., and Borkhardt, A. (2009). Missense mutation in the inducible T-cell kinase (ITK) leading to immunodeficiency and fatal immune dysregulation after EBV infection. KLIN PADIATR 221, 209-209.
Ugele, M., Sasse, F., Knapp, S., Fedorov, O., Zubriene, A., Matulis, D., and Maier, M.E. (2009). Propionate analogues of zearalenone bind to Hsp90. Chembiochem 10, 2203-2212.
Zimmermann, T.J., Niesen, F.H., Pilka, E.S., Knapp, S., Oppermann, U., and Maier, M.E. (2009). Discovery of a potent and selective inhibitor for human carbonyl reductase 1 from propionate scanning applied to the macrolide zearalenone. Bioorg Med Chem 17, 530-536.
Akue-Gedu, R., Rossignol, E., Azzaro, S., Knapp, S., Filippakopoulos, P., Bullock, A.N., Bain, J., Cohen, P., Prudhomme, M., Anizon, F., and Moreau, P. (2009). Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new Pim kinase inhibitors. J Med Chem 52, 6369-6381

2008

Atilla-Gokcumen, G.E., Pagano, N., Streu, C., Maksimoska, J., Filippakopoulos, P., Knapp, S., and Meggers, E. (2008). Extremely tight binding of a ruthenium complex to glycogen synthase kinase 3. Chembiochem 9, 2933-2936.
Baumli, S., Lolli, G., Lowe, E.D., Troiani, S., Rusconi, L., Bullock, A.N., Debreczeni, J.E., Knapp, S., and Johnson, L.N. (2008). The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation. EMBO J 27, 1907-1918.
Eswaran, J., Bernad, A., Ligos, J.M., Guinea, B., Debreczeni, J.E., Sobott, F., Parker, S.A., Najmanovich, R., Turk, B.E., and Knapp, S. (2008). Structure of the human protein kinase MPSK1 reveals an atypical activation loop architecture. Structure 16, 115-124.
Eswaran, J., Soundararajan, M., Kumar, R., and Knapp, S. (2008). UnPAKing the class differences among p21-activated kinases. Trends Biochem Sci 33, 394-403.
Filippakopoulos, P., Kofler, M., Hantschel, O., Gish, G.D., Grebien, F., Salah, E., Neudecker, P., Kay, L.E., Turk, B.E., Superti-Furga, G., Pawson, T., and Knapp, S. (2008). Structural coupling of SH2-kinase domains links Fes and Abl substrate recognition and kinase activation. Cell 134, 793-803.
Graslund, S., Nordlund, P., Weigelt, J., Hallberg, B.M., Bray, J., Gileadi, O., Knapp, S., Oppermann, U., Arrowsmith, C., Hui, R., Ming, J., dhe-Paganon, S., Park, H.W., Savchenko, A., Yee, A., Edwards, A., Vincentelli, R., Cambillau, C., Kim, R., Kim, S.H., Rao, Z., Shi, Y., Terwilliger, T.C., Kim, C.Y., Hung, L.W., Waldo, G.S., Peleg, Y., Albeck, S., Unger, T., Dym, O., Prilusky, J., Sussman, J.L., Stevens, R.C., Lesley, S.A., Wilson, I.A., Joachimiak, A., Collart, F., Dementieva, I., Donnelly, M.I., Eschenfeldt, W.H., Kim, Y., Stols, L., Wu, R., Zhou, M., Burley, S.K., Emtage, J.S., Sauder, J.M., Thompson, D., Bain, K., Luz, J., Gheyi, T., Zhang, F., Atwell, S., Almo, S.C., Bonanno, J.B., Fiser, A., Swaminathan, S., Studier, F.W., Chance, M.R., Sali, A., Acton, T.B., Xiao, R., Zhao, L., Ma, L.C., Hunt, J.F., Tong, L., Cunningham, K., Inouye, M., Anderson, S., Janjua, H., Shastry, R., Ho, C.K., Wang, D., Wang, H., Jiang, M., Montelione, G.T., Stuart, D.I., Owens, R.J., Daenke, S., Schutz, A., Heinemann, U., Yokoyama, S., Bussow, K., and Gunsalus, K.C. (2008). Protein production and purification. Nat Methods 5, 135-146.
Maksimoska, J., Williams, D.S., Atilla-Gokcumen, G.E., Smalley, K.S., Carroll, P.J., Webster, R.D., Filippakopoulos, P., Knapp, S., Herlyn, M., and Meggers, E. (2008). Similar biological activities of two isostructural ruthenium and osmium complexes. Chemistry 14, 4816-4822.
Marsden, B.D., and Knapp, S. (2008). Doing more than just the structure-structural genomics in kinase drug discovery. Curr Opin Chem Biol 12, 40-45.
Miller, M.L., Jensen, L.J., Diella, F., Jorgensen, C., Tinti, M., Li, L., Hsiung, M., Parker, S.A., Bordeaux, J., Sicheritz-Ponten, T., Olhovsky, M., Pasculescu, A., Alexander, J., Knapp, S., Blom, N., Bork, P., Li, S., Cesareni, G., Pawson, T., Turk, B.E., Yaffe, M.B., Brunak, S., and Linding, R. (2008). Linear motif atlas for phosphorylation-dependent signaling. Sci Signal 1, ra2.
Pike, A.C., Rellos, P., Niesen, F.H., Turnbull, A., Oliver, A.W., Parker, S.A., Turk, B.E., Pearl, L.H., and Knapp, S. (2008). Activation segment dimerization: a mechanism for kinase autophosphorylation of non-consensus sites. EMBO J 27, 704-714.
Wu, X., Oppermann, M., Berndt, K.D., Bergman, T., Jornvall, H., Knapp, S., and Oppermann, U. (2008). Thermal unfolding of the archaeal DNA and RNA binding protein Ssh10. Biochem Biophys Res Commun 373, 482-487.

2007

Baminger, B., Ludwiczek, M.L., Kontaxis, G., Knapp, S., and Konrat, R. (2007). Protein-protein interaction site mapping using NMR-detected mutational scanning. J Biomol NMR 38, 133-137.
Bullock, A.N., Rodriguez, M.C., Debreczeni, J.E., Songyang, Z., and Knapp, S. (2007). Structure of the SOCS4-ElonginB/C complex reveals a distinct SOCS box interface and the molecular basis for SOCS-dependent EGFR degradation. Structure 15, 1493-1504.
Bunkoczi, G., Salah, E., Filippakopoulos, P., Fedorov, O., Muller, S., Sobott, F., Parker, S.A., Zhang, H., Min, W., Turk, B.E., and Knapp, S. (2007). Structural and functional characterization of the human protein kinase ASK1. Structure 15, 1215-1226.
Eswaran, J., Lee, W.H., Debreczeni, J.E., Filippakopoulos, P., Turnbull, A., Fedorov, O., Deacon, S.W., Peterson, J.R., and Knapp, S. (2007). Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs. Structure 15, 201-213.
Fedorov, O., Marsden, B., Pogacic, V., Rellos, P., Muller, S., Bullock, A.N., Schwaller, J., Sundstrom, M., and Knapp, S. (2007). A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. Proc Natl Acad Sci U S A 104, 20523-20528.
Fedorov, O., Sundstrom, M., Marsden, B., and Knapp, S. (2007). Insights for the development of specific kinase inhibitors by targeted structural genomics. Drug Discov Today 12, 365-372.
Gileadi, O., Knapp, S., Lee, W.H., Marsden, B.D., Muller, S., Niesen, F.H., Kavanagh, K.L., Ball, L.J., von Delft, F., Doyle, D.A., Oppermann, U.C., and Sundstrom, M. (2007). The scientific impact of the Structural Genomics Consortium: a protein family and ligand-centered approach to medically-relevant human proteins. J Struct Funct Genomics 8, 107-119.
Hennig, B.J., Frodsham, A.J., Hellier, S., Knapp, S., Yee, L.J., Wright, M., Zhang, L., Thomas, H.C., Thursz, M., and Hill, A.V. (2007). Influence of IL-10RA and IL-22 polymorphisms on outcome of hepatitis C virus infection. Liver Int 27, 1134-1143.
Oliver, A.W., Knapp, S., and Pearl, L.H. (2007). Activation segment exchange: a common mechanism of kinase autophosphorylation? Trends in Biochemical Sciences 32, 351-356.
Pogacic, V., Bullock, A.N., Fedorov, O., Filippakopoulos, P., Gasser, C., Biondi, A., Meyer-Monard, S., Knapp, S., and Schwaller, J. (2007). Structural analysis identifies imidazo[1,2-b]pyridazines as PIM kinase inhibitors with in vitro antileukemic activity. Cancer Res 67, 6916-6924.
Rellos, P., Ivins, F.J., Baxter, J.E., Pike, A., Nott, T.J., Parkinson, D.M., Das, S., Howell, S., Fedorov, O., Shen, Q.Y., Fry, A.M., Knapp, S., and Smerdon, S.J. (2007). Structure and regulation of the human Nek2 centrosomal kinase. J Biol Chem 282, 6833-6842.
Rennefahrt, U.E., Deacon, S.W., Parker, S.A., Devarajan, K., Beeser, A., Chernoff, J., Knapp, S., Turk, B.E., and Peterson, J.R. (2007). Specificity profiling of Pak kinases allows identification of novel phosphorylation sites. J Biol Chem 282, 15667-15678.
Rosettani, P., Knapp, S., Vismara, M.G., Rusconi, L., and Cameron, A.D. (2007). Structures of the human eIF4E homologous protein, h4EHP, in its m7GTP-bound and unliganded forms. J Mol Biol 368, 691-705.
Wu, X., Knapp, S., Stamp, A., Stammers, D.K., Jornvall, H., Dellaporta, S.L., and Oppermann, U. (2007). Biochemical characterization of TASSELSEED 2, an essential plant short-chain dehydrogenase/reductase with broad spectrum activities. FEBS J 274, 1172-1182.

2006

Barr, A.J., Debreczeni, J.E., Eswaran, J., and Knapp, S. (2006). Crystal structure of human protein tyrosine phosphatase 14 (PTPN14) at 1.65-A resolution. Proteins 63, 1132-1136.
Barr, A.J., and Knapp, S. (2006). MAPK-specific tyrosine phosphatases: new targets for drug discovery? Trends Pharmacol Sci 27, 525-530.
Bullock, A.N., Debreczeni, J.E., Edwards, A.M., Sundstrom, M., and Knapp, S. (2006). Crystal structure of the SOCS2-elongin C-elongin B complex defines a prototypical SOCS box ubiquitin ligase. Proc Natl Acad Sci U S A 103, 7637-7642.
Debreczeni, J.E., Bullock, A.N., Atilla, G.E., Williams, D.S., Bregman, H., Knapp, S., and Meggers, E. (2006). Ruthenium half-sandwich complexes bound to protein kinase Pim-1. Angew Chem Int Ed Engl 45, 1580-1585.
Eswaran, J., Debreczeni, J.E., Longman, E., Barr, A.J., and Knapp, S. (2006). The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1. Protein Sci 15, 1500-1505.
Eswaran, J., von Kries, J.P., Marsden, B., Longman, E., Debreczeni, J.E., Ugochukwu, E., Turnbull, A., Lee, W.H., Knapp, S., and Barr, A.J. (2006). Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases. Biochem J 395, 483-491.
Kavanagh, K.L., Guo, K., Dunford, J.E., Wu, X., Knapp, S., Ebetino, F.H., Rogers, M.J., Russell, R.G., and Oppermann, U. (2006). The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs. Proc Natl Acad Sci U S A 103, 7829-7834.
Marsden, B., Sundstrom, M., and Knapp, S. (2006). High Throughput Structural Characterization of Therapeutic Protein Targets. Expert Opinion in Drug Discovery 1, 123-136.
Trosset, J.Y., Dalvit, C., Knapp, S., Fasolini, M., Veronesi, M., Mantegani, S., Gianellini, L.M., Catana, C., Sundstrom, M., Stouten, P.F., and Moll, J.K. (2006). Inhibition of protein-protein interactions: the discovery of druglike beta-catenin inhibitors by combining virtual and biophysical screening. Proteins 64, 60-67.