Publications

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2008

UnPAKing the class differences among p21-activated kinases.

Eswaran J, Soundararajan M, Kumar R, Knapp S

Trends Biochem. Sci.. 33(8):394-403. doi: 10.1016/j.tibs.2008.06.002

Publication date: July 17, 2008

PMID: 18639460

The structure of the PP2A regulatory subunit B56 gamma: the remaining piece of the PP2A jigsaw puzzle.

Magnusdottir A, Stenmark P, Flodin S, Nyman T, Kotenyova T, Gräslund S, Ogg D, Nordlund P

Proteins. 74(1):212-21. doi: 10.1002/prot.22150

Publication date: July 12, 2008

PMID: 18618707

The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation.

Baumli S, Lolli G, Lowe ED, Troiani S, Rusconi L, Bullock AN, Debreczeni JE, Knapp S, Johnson LN

EMBO J.. 27(13):1907-18. doi: 10.1038/emboj.2008.121

Publication date: July 9, 2008

PMID: 18566585

Actin/myosin-based gliding motility in apicomplexan parasites.

Matuschewski K, Schüler H

Subcell. Biochem.. 47:110-20.

Publication date: July 1, 2008

PMID: 18512346

Structural analysis of CYP2R1 in complex with vitamin D3.

Strushkevich N, Usanov SA, Plotnikov AN, Jones G, Park HW

J. Mol. Biol.. 380(1):95-106. doi: 10.1016/j.jmb.2008.03.065

Publication date: June 27, 2008

PMID: 18511070

Autoregulation by the juxtamembrane region of the human ephrin receptor tyrosine kinase A3 (EphA3).

Davis TL, Walker JR, Loppnau P, Butler-Cole C, Allali-Hassani A, Dhe-Paganon S

Structure. 16(6):873-84. doi: 10.1016/j.str.2008.03.008

Publication date: June 13, 2008

PMID: 18547520

High throughput crystallography at SGC Toronto: an overview.

Bochkarev A, Tempel W

Methods Mol. Biol.. 426:515-21. doi: 10.1007/978-1-60327-058-8_34

Publication date: June 11, 2008

PMID: 18542887

High throughput production of recombinant human proteins for crystallography.

Gileadi O, Burgess-Brown NA, Colebrook SM, Berridge G, Savitsky P, Smee CE, Loppnau P, Johansson C, Salah E, Pantic NH

Methods Mol. Biol.. 426:221-46. doi: 10.1007/978-1-60327-058-8_14

Publication date: June 11, 2008

PMID: 18542867

Crystal structure of human spermine synthase: implications of substrate binding and catalytic mechanism.

Wu H, Min J, Zeng H, McCloskey DE, Ikeguchi Y, Loppnau P, Michael AJ, Pegg AE, Plotnikov AN

J. Biol. Chem.. 283(23):16135-46. doi: 10.1074/jbc.M710323200

Publication date: June 6, 2008

PMID: 18367445

A SPOT on the chromatin landscape? Histone peptide arrays as a tool for epigenetic research.

Nady N, Min J, Kareta MS, Chédin F, Arrowsmith CH

Trends Biochem. Sci.. 33(7):305-13. doi: 10.1016/j.tibs.2008.04.014

Publication date: June 4, 2008

PMID: 18538573

Structural and biophysical characterization of human myo-inositol oxygenase.

Thorsell AG, Persson C, Voevodskaya N, Busam RD, Hammarström M, Gräslund S, Gräslund A, Hallberg BM

J. Biol. Chem.. 283(22):15209-16. doi: 10.1074/jbc.M800348200

Publication date: May 30, 2008

PMID: 18364358

Zinc binding catalytic domain of human tankyrase 1.

Lehtiö L, Collins R, van den Berg S, Johansson A, Dahlgren LG, Hammarström M, Helleday T, Holmberg-Schiavone L, Karlberg T, Weigelt J

J. Mol. Biol.. 379(1):136-45. doi: 10.1016/j.jmb.2008.03.058

Publication date: May 23, 2008

PMID: 18436240

The crystal structure of human WD40 repeat-containing peptidylprolyl isomerase (PPWD1).

Davis TL, Walker JR, Ouyang H, MacKenzie F, Butler-Cole C, Newman EM, Eisenmesser EZ, Dhe-Paganon S

FEBS J.. 275(9):2283-95. doi: 10.1111/j.1742-4658.2008.06381.x

Publication date: May 1, 2008

PMID: 18397323

Application of high-throughput isothermal denaturation to assess protein stability and screen for ligands.

Senisterra GA, Soo Hong B, Park HW, Vedadi M

J Biomol Screen. 13(5):337-42. doi: 10.1177/1087057108317825

Publication date: April 30, 2008

PMID: 18448703

Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.

Schuetz A, Min J, Allali-Hassani A, Schapira M, Shuen M, Loppnau P, Mazitschek R, Kwiatkowski NP, Lewis TA, Maglathin RL, McLean TH, Bochkarev A, Plotnikov AN, Vedadi M, Arrowsmith CH

J. Biol. Chem.. 283(17):11355-63. doi: 10.1074/jbc.M707362200

Publication date: April 25, 2008

PMID: 18285338

Similar biological activities of two isostructural ruthenium and osmium complexes.

Maksimoska J, Williams DS, Atilla-Gokcumen GE, Smalley KS, Carroll PJ, Webster RD, Filippakopoulos P, Knapp S, Herlyn M, Meggers E

Chemistry. 14(16):4816-22. doi: 10.1002/chem.200800294

Publication date: April 22, 2008

PMID: 18425743

Crystal structure of the methyltransferase domain of human TARBP1.

Wu H, Min J, Zeng H, Plotnikov AN

Proteins. 72(1):519-25. doi: 10.1002/prot.22065

Publication date: April 17, 2008

PMID: 18412263

Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase.

Dunford JE, Kwaasi AA, Rogers MJ, Barnett BL, Ebetino FH, Russell RG, Oppermann U, Kavanagh KL

J. Med. Chem.. 51(7):2187-95. doi: 10.1021/jm7015733

Publication date: April 10, 2008

PMID: 18327899

Baculovirus expression vector system: an emerging host for high-throughput eukaryotic protein expression.

Shrestha B, Smee C, Gileadi O

Methods Mol. Biol.. 439:269-89. doi: 10.1007/978-1-59745-188-8_19

Publication date: March 29, 2008

PMID: 18370110

Role of short-chain hydroxyacyl CoA dehydrogenases in SCHAD deficiency.

Filling C, Keller B, Hirschberg D, Marschall HU, Jörnvall H, Bennett MJ, Oppermann U

Biochem. Biophys. Res. Commun.. 368(1):6-11. doi: 10.1016/j.bbrc.2007.10.188

Publication date: March 28, 2008

PMID: 18036338

Structural genomics and drug discovery: all in the family.

Weigelt J, McBroom-Cerajewski LD, Schapira M, Zhao Y, Arrowsmith CH, Arrowmsmith CH

Curr Opin Chem Biol. 12(1):32-9. doi: 10.1016/j.cbpa.2008.01.045

Publication date: March 7, 2008

PMID: 18282486

Doing more than just the structure-structural genomics in kinase drug discovery.

Marsden BD, Knapp S

Curr Opin Chem Biol. 12(1):40-5. doi: 10.1016/j.cbpa.2008.01.042

Publication date: February 29, 2008

PMID: 18267130

Activation segment dimerization: a mechanism for kinase autophosphorylation of non-consensus sites.

Pike AC, Rellos P, Niesen FH, Turnbull A, Oliver AW, Parker SA, Turk BE, Pearl LH, Knapp S

EMBO J.. 27(4):704-14. doi: 10.1038/emboj.2008.8

Publication date: February 20, 2008

PMID: 18239682

Ligand supplementation as a method to increase soluble heterologous protein production.

Hozjan V, Guo K, Wu X, Oppermann U

Expert Rev Proteomics. 5(1):137-43. doi: 10.1586/14789450.5.1.137

Publication date: February 20, 2008

PMID: 18282129

Bermuda Principles meet structural biology.

Edwards A

Nat. Struct. Mol. Biol.. 15(2):116. doi: 10.1038/nsmb0208-116

Publication date: February 6, 2008

PMID: 18250626

Protein production and purification.

Gräslund S, Nordlund P, Weigelt J, Hallberg BM, Bray J, Gileadi O, Knapp S, Oppermann U, Arrowsmith C, Hui R, Ming J, dhe-Paganon S, Park HW, Savchenko A, Yee A, Edwards A, Vincentelli R, Cambillau C, Kim R, Kim SH, Rao Z, Shi Y, Terwilliger TC, Kim CY, Hung LW, Waldo GS, Peleg Y, Albeck S, Unger T, Dym O, Prilusky J, Sussman JL, Stevens RC, Lesley SA, Wilson IA, Joachimiak A, Collart F, Dementieva I, Donnelly MI, Eschenfeldt WH, Kim Y, Stols L, Wu R, Zhou M, Burley SK, Emtage JS, Sauder JM, Thompson D, Bain K, Luz J, Gheyi T, Zhang F, Atwell S, Almo SC, Bonanno JB, Fiser A, Swaminathan S, Studier FW, Chance MR, Sali A, Acton TB, Xiao R, Zhao L, Ma LC, Hunt JF, Tong L, Cunningham K, Inouye M, Anderson S, Janjua H, Shastry R, Ho CK, Wang D, Wang H, Jiang M, Montelione GT, Stuart DI, Owens RJ, Daenke S, Schütz A, Heinemann U, Yokoyama S, Büssow K, Gunsalus KC

Nat. Methods. 5(2):135-46. doi: 10.1038/nmeth.f.202

Publication date: February 1, 2008

PMID: 18235434

Structure and function of sedoheptulose-7-phosphate isomerase, a critical enzyme for lipopolysaccharide biosynthesis and a target for antibiotic adjuvants.

Taylor PL, Blakely KM, de Leon GP, Walker JR, McArthur F, Evdokimova E, Zhang K, Valvano MA, Wright GD, Junop MS

J. Biol. Chem.. 283(5):2835-45. doi: 10.1074/jbc.M706163200

Publication date: February 1, 2008

PMID: 18056714

Codon optimization can improve expression of human genes in Escherichia coli: A multi-gene study.

Burgess-Brown NA, Sharma S, Sobott F, Loenarz C, Oppermann U, Gileadi O

Protein Expr. Purif.. 59(1):94-102. doi: 10.1016/j.pep.2008.01.008

Publication date: January 26, 2008

PMID: 18289875

First crystallographic models of human TBC domains in the context of a family-wide structural analysis.

Tempel W, Tong Y, Dimov S, Bochkarev A, Park H

Proteins. 71(1):497-502. doi: 10.1002/prot.21885

Publication date: January 12, 2008

PMID: 18186464

Structure of the human protein kinase MPSK1 reveals an atypical activation loop architecture.

Eswaran J, Bernad A, Ligos JM, Guinea B, Debreczeni JE, Sobott F, Parker SA, Najmanovich R, Turk BE, Knapp S

Structure. 16(1):115-24. doi: 10.1016/j.str.2007.10.026

Publication date: January 11, 2008

PMID: 18184589

SALMON: solvent accessibility, ligand binding, and mapping of ligand orientation by NMR spectroscopy.

Ludwig C, Michiels PJ, Wu X, Kavanagh KL, Pilka E, Jansson A, Oppermann U, Günther UL

J. Med. Chem.. 51(1):1-3. doi: 10.1021/jm701020f

Publication date: January 10, 2008

PMID: 18062662

2007

Binding of Rac1, Rnd1, and RhoD to a novel Rho GTPase interaction motif destabilizes dimerization of the plexin-B1 effector domain.

Tong Y, Chugha P, Hota PK, Alviani RS, Li M, Tempel W, Shen L, Park HW, Buck M

J. Biol. Chem.. 282(51):37215-24. doi: 10.1074/jbc.M703800200

Publication date: December 21, 2007

PMID: 17916560

A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.

Fedorov O, Marsden B, Pogacic V, Rellos P, Müller S, Bullock AN, Schwaller J, Sundström M, Knapp S

Proc. Natl. Acad. Sci. U.S.A.. 104(51):20523-8. doi: 10.1073/pnas.0708800104

Publication date: December 18, 2007

PMID: 18077363

Evaluation of micro-parallel liquid chromatography as a method for HTS-coupled actives verification.

Simeonov A, Yasgar A, Klumpp C, Zheng W, Shafqat N, Oppermann U, Austin CP, Inglese J

Assay Drug Dev Technol. 5(6):815-24. doi: 10.1089/adt.2007.097

Publication date: December 15, 2007

PMID: 18078381

Bisphosphonates: an update on mechanisms of action and how these relate to clinical efficacy.

Russell RG, Xia Z, Dunford JE, Oppermann U, Kwaasi A, Hulley PA, Kavanagh KL, Triffitt JT, Lundy MW, Phipps RJ, Barnett BL, Coxon FP, Rogers MJ, Watts NB, Ebetino FH

Ann. N. Y. Acad. Sci.. 1117:209-57. doi: 10.1196/annals.1402.089

Publication date: December 7, 2007

PMID: 18056045

The use of systematic N- and C-terminal deletions to promote production and structural studies of recombinant proteins.

Gräslund S, Sagemark J, Berglund H, Dahlgren LG, Flores A, Hammarström M, Johansson I, Kotenyova T, Nilsson M, Nordlund P, Weigelt J

Protein Expr. Purif.. 58(2):210-21. doi: 10.1016/j.pep.2007.11.008

Publication date: November 22, 2007

PMID: 18171622

Mechanism and substrate recognition of human holo ACP synthase.

Bunkoczi G, Pasta S, Joshi A, Wu X, Kavanagh KL, Smith S, Oppermann U

Chem. Biol.. 14(11):1243-53. doi: 10.1016/j.chembiol.2007.10.013

Publication date: November 21, 2007

PMID: 18022563

L3MBTL1 recognition of mono- and dimethylated histones.

Min J, Allali-Hassani A, Nady N, Qi C, Ouyang H, Liu Y, MacKenzie F, Vedadi M, Arrowsmith CH

Nat. Struct. Mol. Biol.. 14(12):1229-30. doi: 10.1038/nsmb1340

Publication date: November 18, 2007

PMID: 18026117

Structure of the SOCS4-ElonginB/C complex reveals a distinct SOCS box interface and the molecular basis for SOCS-dependent EGFR degradation.

Bullock AN, Rodriguez MC, Debreczeni JE, Songyang Z, Knapp S

Structure. 15(11):1493-504. doi: 10.1016/j.str.2007.09.016

Publication date: November 14, 2007

PMID: 17997974

In situ proteolysis for protein crystallization and structure determination.

Dong A, Xu X, Edwards AM, Chang C, Chruszcz M, Cuff M, Cymborowski M, Di Leo R, Egorova O, Evdokimova E, Filippova E, Gu J, Guthrie J, Ignatchenko A, Joachimiak A, Klostermann N, Kim Y, Korniyenko Y, Minor W, Que Q, Savchenko A, Skarina T, Tan K, Yakunin A, Yee A, Yim V, Zhang R, Zheng H, Akutsu M, Arrowsmith C, Avvakumov GV, Bochkarev A, Dahlgren LG, Dhe-Paganon S, Dimov S, Dombrovski L, Finerty P, Flodin S, Flores A, Gräslund S, Hammerström M, Herman MD, Hong BS, Hui R, Johansson I, Liu Y, Nilsson M, Nedyalkova L, Nordlund P, Nyman T, Min J, Ouyang H, Park HW, Qi C, Rabeh W, Shen L, Shen Y, Sukumard D, Tempel W, Tong Y, Tresagues L, Vedadi M, Walker JR, Weigelt J, Welin M, Wu H, Xiao T, Zeng H, Zhu H

Nat. Methods. 4(12):1019-21. doi: 10.1038/nmeth1118

Publication date: November 4, 2007

PMID: 17982461

Structure determination of the motor domain of yeast kinesin kar3 by x-ray crystallography.

Park HW

Methods Mol. Biol.. 392:199-211. doi: 10.1007/978-1-59745-490-2_14

Publication date: October 24, 2007

PMID: 17951720

Structural and functional characterization of the human protein kinase ASK1.

Bunkoczi G, Salah E, Filippakopoulos P, Fedorov O, Müller S, Sobott F, Parker SA, Zhang H, Min W, Turk BE, Knapp S

Structure. 15(10):1215-26. doi: 10.1016/j.str.2007.08.011

Publication date: October 17, 2007

PMID: 17937911

Crystal structure of Plasmodium falciparum spermidine synthase in complex with the substrate decarboxylated S-adenosylmethionine and the potent inhibitors 4MCHA and AdoDATO.

Dufe VT, Qiu W, Müller IB, Hui R, Walter RD, Al-Karadaghi S

J. Mol. Biol.. 373(1):167-77. doi: 10.1016/j.jmb.2007.07.053

Publication date: October 12, 2007

PMID: 17822713

Structural basis of substrate-binding specificity of human arylamine N-acetyltransferases.

Wu H, Dombrovsky L, Tempel W, Martin F, Loppnau P, Goodfellow GH, Grant DM, Plotnikov AN

J. Biol. Chem.. 282(41):30189-97. doi: 10.1074/jbc.M704138200

Publication date: October 12, 2007

PMID: 17656365

The scientific impact of the Structural Genomics Consortium: a protein family and ligand-centered approach to medically-relevant human proteins.

Gileadi O, Knapp S, Lee WH, Marsden BD, Müller S, Niesen FH, Kavanagh KL, Ball LJ, von Delft F, Doyle DA, Oppermann UC, Sundström M

J. Struct. Funct. Genomics. 8(2-3):107-19. doi: 10.1007/s10969-007-9027-2

Publication date: October 12, 2007

PMID: 17932789

Nicotinamide riboside kinase structures reveal new pathways to NAD+.

Tempel W, Rabeh WM, Bogan KL, Belenky P, Wojcik M, Seidle HF, Nedyalkova L, Yang T, Sauve AA, Park HW, Brenner C

PLoS Biol.. 5(10):e263. doi: 10.1371/journal.pbio.0050263

Publication date: October 2, 2007

PMID: 17914902

Crystal structures of human pantothenate kinases. Insights into allosteric regulation and mutations linked to a neurodegeneration disorder.

Hong BS, Senisterra G, Rabeh WM, Vedadi M, Leonardi R, Zhang YM, Rock CO, Jackowski S, Park HW

J. Biol. Chem.. 282(38):27984-93. doi: 10.1074/jbc.M701915200

Publication date: September 21, 2007

PMID: 17631502

The use of differential scanning fluorimetry to detect ligand interactions that promote protein stability.

Niesen FH, Berglund H, Vedadi M

Nat Protoc. 2(9):2212-21. doi: 10.1038/nprot.2007.321

Publication date: September 15, 2007

PMID: 17853878

Structure and mechanism of spermidine synthases.

Wu H, Min J, Ikeguchi Y, Zeng H, Dong A, Loppnau P, Pegg AE, Plotnikov AN

Biochemistry. 46(28):8331-9. doi: 10.1021/bi602498k

Publication date: July 17, 2007

PMID: 17585781