?
 Laboratories

Peer reviewed SGC publications in print
Soundararajan M, Yang X, Elkins JM, Sobott F and Doyle DA (2007) The centaurin gamma-1 GTPase-like domain functions as an NTPase. Biochem. J. 401(3): 679-88
Lukacik P, Keller B, Bunkoczi G, Kavanagh KL, Kavanagh K, Lee WH, Hwa Lee W, Adamski J and Oppermann U (2007) Structural and biochemical characterization of human orphan DHRS10 reveals a novel cytosolic enzyme with steroid dehydrogenase activity. Biochem. J. 402(3): 419-27
Vedadi M, Lew J, Artz J, Amani M, Zhao Y, Dong A, Wasney GA, Gao M, Hills T, Brokx S, Qiu W, Sharma S, Diassiti A, Alam Z, Melone M, Mulichak A, Wernimont A, Bray J, Loppnau P, Plotnikova O, Newberry K, Sundararajan E, Houston S, Walker J, Tempel W, Bochkarev A, Kozieradzki I, Edwards A, Arrowsmith C, Roos D, Kain K and Hui R (2007) Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol. Biochem. Parasitol. 151(1): 100-10
Stenmark P, Kursula P, Flodin S, Gräslund S, Landry R, Nordlund P and Schüler H (2007) Crystal structure of human inosine triphosphatase. Substrate binding and implication of the inosine triphosphatase deficiency mutation P32T. J. Biol. Chem. 282(5): 3182-7
Rellos P, Ivins FJ, Baxter JE, Pike A, Nott TJ, Parkinson DM, Das S, Howell S, Fedorov O, Shen QY, Fry AM, Knapp S and Smerdon SJ (2007) Structure and regulation of the human Nek2 centrosomal kinase. J. Biol. Chem. 282(9): 6833-42
Wu X, Lukacik P, Kavanagh KL and Oppermann U (2007) SDR-type human hydroxysteroid dehydrogenases involved in steroid hormone activation. Mol. Cell. Endocrinol. 265-266: 71-6
Najmanovich RJ, Allali-Hassani A, Morris RJ, Dombrovsky L, Pan PW, Vedadi M, Plotnikov AN, Edwards A, Arrowsmith C and Thornton JM (2007) Analysis of binding site similarity, small-molecule similarity and experimental binding profiles in the human cytosolic sulfotransferase family. Bioinformatics 23(2): e104-9
Wu H, Horton JR, Battaile K, Allali-Hassani A, Martin F, Zeng H, Loppnau P, Vedadi M, Bochkarev A, Plotnikov AN and Cheng X (2007) Structural basis of allele variation of human thiopurine-S-methyltransferase. Proteins 67(1): 198-208
Bello AM, Poduch E, Fujihashi M, Amani M, Li Y, Crandall I, Hui R, Lee PI, Kain KC, Pai EF and Kotra LP (2007) A potent, covalent inhibitor of orotidine 5'-monophosphate decarboxylase with antimalarial activity. J. Med. Chem. 50(5): 915-21
Eswaran J, Lee WH, Debreczeni JE, Filippakopoulos P, Turnbull A, Fedorov O, Deacon SW, Peterson JR 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(2): 201-13
Schuetz A, Min J, Antoshenko T, Wang CL, Allali-Hassani A, Dong A, Loppnau P, Vedadi M, Bochkarev A, Sternglanz R and Plotnikov AN (2007) Structural basis of inhibition of the human NAD+-dependent deacetylase SIRT5 by suramin. Structure 15(3): 377-89
Schuetz A, Bernstein G, Dong A, Antoshenko T, Wu H, Loppnau P, Bochkarev A and Plotnikov AN (2007) Crystal structure of a binary complex between human GCN5 histone acetyltransferase domain and acetyl coenzyme A.
Allali-Hassani A, Pan PW, Dombrovski L, Najmanovich R, Tempel W, Dong A, Loppnau P, Martin F, Thonton J, Edwards AM, Bochkarev A, Plotnikov AN, Vedadi M and Arrowsmith CH (2007) Structural and chemical profiling of the human cytosolic sulfotransferases. PLoS Biol. 5(5): e97
Hogan AC, McAvoy CE, Dick AD and Lee RW (2007) Long-term efficacy and tolerance of tacrolimus for the treatment of uveitis. Ophthalmology 114(5): 1000-6
Domene C, Vemparala S, Klein ML, Vanien-Bryan C and Doyle DA (2006) Role of aromatic localization in the gating process of a potassium channel. Biophys. J. 90(1): L01-3
Zimmer J, Doyle DA and Grossmann JG (2006) Structural characterization and pH-induced conformational transition of full-length KcsA. Biophys. J. 90(5): 1752-66
Guo K, Lukacik P, Papagrigoriou E, Meier M, Lee WH, Adamski J and Oppermann U (2006) Characterization of human DHRS6, an orphan short chain dehydrogenase/reductase enzyme: a novel, cytosolic type 2 R-beta-hydroxybutyrate dehydrogenase. J. Biol. Chem. 281(15): 10291-7
Debreczeni JE, Bullock AN, Atilla GE, Williams DS, Bregman H, Knapp S and Meggers E (2006) Ruthenium half-sandwich complexes bound to protein kinase pim-1. Angew. Chem. Int. Ed. Engl. 45(10): 1580-5
Abagyan R, Lee WH, Raush E, Budagyan L, Totrov M, Sundstrom M and Marsden BD (2006) Disseminating structural genomics data to the public: from a data dump to an animated story. Trends Biochem. Sci. 31(2): 76-8
Eswaran J, von Kries JP, Marsden B, Longman E, Debreczeni JE, Ugochukwu E, Turnbull A, Lee WH, Knapp S and Barr AJ (2006) Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases. Biochem. J. 395(3): 483-91
Barr AJ, Debreczeni JE, Eswaran J and Knapp S (2006) Crystal structure of human protein tyrosine phosphatase 14 (PTPN14) at 1.65-A resolution. Proteins 63(4): 1132-6
Lunin VV, Dobrovetsky E, Khutoreskaya G, Zhang R, Joachimiak A, Doyle DA, Bochkarev A, Maguire ME, Edwards AM and Koth CM (2006) Crystal structure of the CorA Mg2+ transporter. Nature 440(7085): 833-7
Eswaran J, Debreczeni JE, Longman E, Barr AJ and Knapp S (2006) The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1. Protein Sci. 15(6): 1500-5
Bullock AN, Debreczeni JE, Edwards AM, 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(20): 7637-42
Kavanagh KL, Guo K, Dunford JE, Wu X, Knapp S, Ebetino FH, Rogers MJ, Russell RG and Oppermann U (2006) The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs. Proc. Natl. Acad. Sci. U.S.A. 103(20): 7829-34
Kavanagh KL, Dunford JE, Bunkoczi G, Russell RG and Oppermann U (2006) The crystal structure of human geranylgeranyl pyrophosphate synthase reveals a novel hexameric arrangement and inhibitory product binding. J. Biol. Chem. 281(31): 22004-12
Zimmer J and Doyle DA (2006) Phospholipid requirement and pH optimum for the in vitro enzymatic activity of the E. coli P-type ATPase ZntA. Biochim. Biophys. Acta 1758(5): 645-52
Magnusdottir A, Stenmark P, Flodin S, Nyman T, Hammarstrom M, Ehn M, Bakali H MA, Berglund H and Nordlund P (2006) The crystal structure of a human PP2A phosphatase activator reveals a novel fold and highly conserved cleft implicated in protein-protein interactions. J. Biol. Chem. 281(32): 22434-8
Dombrovski L, Dong A, Bochkarev A and Plotnikov AN (2006) Crystal structures of human sulfotransferases SULT1B1 and SULT1C1 complexed with the cofactor product adenosine-3'- 5'-diphosphate (PAP). Proteins 64(4): 1091-4
Kursula P, Flodin S, Ehn M, Hammarstrom M, Schuler H, Nordlund P and Stenmark P (2006) Structure of the synthetase domain of human CTP synthetase, a target for anticancer therapy. Acta Crystallograph. Sect. F Struct. Biol. Cryst. Commun. 62(Pt 7): 613-7
Hong BS, Yun MK, Zhang YM, Chohnan S, Rock CO, White SW, Jackowski S, Park HW and Leonardi R (2006) Prokaryotic type II and type III pantothenate kinases: The same monomer fold creates dimers with distinct catalytic properties. Structure 14(8): 1251-61
Barr AJ and Knapp S (2006) MAPK-specific tyrosine phosphatases: new targets for drug discovery?. Trends Pharmacol. Sci. 27(10): 525-30
Schuetz A, Allali-Hassani A, Martín F, Loppnau P, Vedadi M, Bochkarev A, Plotnikov AN, Arrowsmith CH and Min J (2006) Structural basis for molecular recognition and presentation of histone H3 by WDR5. EMBO J. 25(18): 4245-52
Busam RD, Thorsell AG, Flores A, Hammarström M, Persson C and Hallberg BM (2006) First structure of a eukaryotic phosphohistidine phosphatase. J. Biol. Chem. 281(45): 33830-4
Vedadi M, Niesen FH, Allali-Hassani A, Fedorov OY, Finerty PJ, Wasney GA, Yeung R, Arrowsmith C, Ball LJ, Berglund H, Hui R, Marsden BD, Nordlund P, Sundstrom M, Weigelt J and Edwards AM (2006) Chemical screening methods to identify ligands that promote protein stability, protein crystallization, and structure determination. Proc. Natl. Acad. Sci. U.S.A. 103(43): 15835-40
Vedadi M, Niesen FH, Allali-Hassani A, Fedorov OY, Finerty PJ, Wasney GA, Yeung R, Arrowsmith C, Ball LJ, Berglund H, Hui R, Marsden BD, Nordlund P, Sundstrom M, Weigelt J and Edwards AM (2006) Chemical screening methods to identify ligands that promote protein stability, protein crystallization, and structure determination. Proc. Natl. Acad. Sci. U.S.A. 103(43): 15835-40
Yang X, Lee WH, Sobott F, Papagrigoriou E, Robinson CV, Grossmann JG, Sundström M, Doyle DA and Elkins JM (2006) Structural basis for protein-protein interactions in the 14-3-3 protein family. Proc. Natl. Acad. Sci. U.S.A. 103(46): 17237-42
Senisterra GA, Markin E, Yamazaki K, Hui R, Vedadi M and Awrey DE (2006) Screening for ligands using a generic and high-throughput light-scattering-based assay. 11(8): 940-8
Fedorov OY, Higman VA, Schmieder P, Leidert M, Diehl A, Elkins J, Soundararajan M, Oschkinat H and Ball LJ (2006) Resonance assignment of the RGS domain of human RGS10.
Fossi M, Oschkinat H, Nilges M and Ball LJ (2005) Quantitative study of the effects of chemical shift tolerances and rates of SA cooling on structure calculation from automatically assigned NOE data. J. Magn. Reson. 175(1): 92-102
McDonough MA, Kavanagh KL, Butler D, Searls T, Oppermann U and Schofield CJ (2005) Structure of human phytanoyl-CoA 2-hydroxylase identifies molecular mechanisms of Refsum disease. J. Biol. Chem. 280(49): 41101-10
Kuo A, Domene C, Johnson LN, Doyle DA and Vénien-Bryan C (2005) Two different conformational states of the KirBac3.1 potassium channel revealed by electron crystallography. Structure 13(10): 1463-72
Bullock AN, Debreczeni J, Amos AL, Knapp S and Turk BE (2005) Structure and substrate specificity of the Pim-1 kinase. J. Biol. Chem. 280(50): 41675-82
Ismail SA and Park HW (2005) Structural analysis of human liver glyceraldehyde-3-phosphate dehydrogenase. Acta Crystallogr. D Biol. Crystallogr. 61(Pt 11): 1508-13
Cristiani C, Rusconi L, Perego R, Schiering N, Kalisz HM, Knapp S and Isacchi A (2005) Regulation of the wild-type and Y1235D mutant Met kinase activation. Biochemistry 44(43): 14110-9
Bullock AN, Debreczeni JE, Fedorov OY, Nelson A, Marsden BD and Knapp S (2005) Structural basis of inhibitor specificity of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM-1) kinase. J. Med. Chem. 48(24): 7604-14
Tarricone C, Perrina F, Monzani S, Massimiliano L, Kim MH, Derewenda ZS, Knapp S, Tsai LH and Musacchio A (2004) Coupling PAF signaling to dynein regulation: structure of LIS1 in complex with PAF-acetylhydrolase. Neuron 44(5): 809-21

Peer reviewed SGC publications in press
Najmanovich RJ, Allali-Hassani A, Morris RJ, Dombrovski L, Pan PW, Vedadi M, Plotnikov AN, Arrowsmith C, Edwards AM and Thornton JMAnalysis of binding site similarity, small molecule similarity and experimental binding profiles in the human cytosolic. ECCB
Higman VA, Leidert M, Diehl A, Elkins J, Soundararajan M, Oschkinat H and Ball LJ.Backbone and Sidechain 1H , 13C and 15N Resonance Assignments of Human RGS18. J Biomol NMR
Eswaran J, Lee WH,Debreczeni JÉ., Filippakopoulos P, Turnbull A, Fedorov O, Deacon SW, Peterson J and Knapp S.Crystal structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs. Structure
Marsden BD, Sundstrom M and Knapp S.High Throughput Structural Characterization of Therapeutic Protein Targets. Expert Opinion in Drug Discovery (EODD)
Wu X , Lukacik P, Kavanagh KL, Oppermann UStructural insights into SDR-type human hydroxysteroid dehydrogenases involved in steroid hormone activation. Mol Cell Endocrinol
Elkins JM, Papagrigoriou E, Berridge G, Yang X, Phillips C, Gileadi C, Savitsky P and Doyle DA.Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions. Protein Science.

Books or chapters by SGC scientists in print
Udo Oppermann, Kathryn Kavanagh, Kunde Guo, Stanley Ng, Petra Lukacik, Xiaoqiu Wu, Elena Dubinina, Naeem Shafqat, James Bray, Brian Marsden, Sujata Sharma, Masoud Vedadi, Frank von Delft, Michael Sundstrom, (2006) SDR goes SGC: a Structural Genomics Initiative.
A Edwards, J Bermann and M Sundstrom. (2005) Structural Genomics and Drug Discovery.
Edited by M Sundstrom, M Norin and A Edwards (2005) Structural Genomics and High Throughput Structural Biology.
   © 2003-2008 Structural Genomics Consortium. All rights reserved.