Publications

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2007

Structural and biochemical characterization of human orphan DHRS10 reveals a novel cytosolic enzyme with steroid dehydrogenase activity.

Lukacik P, Keller B, Bunkoczi G, Kavanagh KL, Kavanagh K, Lee WH, Hwa Lee W, Adamski J, Oppermann U

Biochem. J.. 402(3):419-27. doi: 10.1042/BJ20061319

Publication date: March 15, 2007

PMID: 17067289

A potent, covalent inhibitor of orotidine 5'-monophosphate decarboxylase with antimalarial activity.

Bello AM, Poduch E, Fujihashi M, Amani M, Li Y, Crandall I, Hui R, Lee PI, Kain KC, Pai EF, Kotra LP

J. Med. Chem.. 50(5):915-21. doi: 10.1021/jm060827p

Publication date: March 8, 2007

PMID: 17290979

Structure and regulation of the human Nek2 centrosomal kinase.

Rellos P, Ivins FJ, Baxter JE, Pike A, Nott TJ, Parkinson DM, Das S, Howell S, Fedorov O, Shen QY, Fry AM, Knapp S, Smerdon SJ

J. Biol. Chem.. 282(9):6833-42. doi: 10.1074/jbc.M609721200

Publication date: March 2, 2007

PMID: 17197699

Biochemical characterization of TASSELSEED 2, an essential plant short-chain dehydrogenase/reductase with broad spectrum activities.

Wu X, Knapp S, Stamp A, Stammers DK, Jörnvall H, Dellaporta SL, Oppermann U

FEBS J.. 274(5):1172-82. doi: 10.1111/j.1742-4658.2007.05642.x

Publication date: February 15, 2007

PMID: 17298439

Crystal Structures of the p21-activated kinases PAK4, PAK5, and PAK6 reveal catalytic domain plasticity of active group II PAKs.

Eswaran J, Lee WH, Debreczeni JE, Filippakopoulos P, Turnbull A, Fedorov O, Deacon SW, Peterson JR, Knapp S

Structure. 15(2):201-13. doi: 10.1016/j.str.2007.01.001

Publication date: February 13, 2007

PMID: 17292838

The crystal structures of human calpains 1 and 9 imply diverse mechanisms of action and auto-inhibition.

Davis TL, Walker JR, Finerty PJ, Mackenzie F, Newman EM, Dhe-Paganon S

J. Mol. Biol.. 366(1):216-29. doi: 10.1016/j.jmb.2006.11.037

Publication date: February 9, 2007

PMID: 17157313

Crystal structure of human inosine triphosphatase. Substrate binding and implication of the inosine triphosphatase deficiency mutation P32T.

Stenmark P, Kursula P, Flodin S, Gräslund S, Landry R, Nordlund P, Schüler H

J. Biol. Chem.. 282(5):3182-7. doi: 10.1074/jbc.M609838200

Publication date: February 2, 2007

PMID: 17138556

Reversible sequestration of active site cysteines in a 2Fe-2S-bridged dimer provides a mechanism for glutaredoxin 2 regulation in human mitochondria.

Johansson C, Kavanagh KL, Gileadi O, Oppermann U

J. Biol. Chem.. 282(5):3077-82. doi: 10.1074/jbc.M608179200

Publication date: February 2, 2007

PMID: 17121859

SDR-type human hydroxysteroid dehydrogenases involved in steroid hormone activation.

Wu X, Lukacik P, Kavanagh KL, Oppermann U

Mol. Cell. Endocrinol.. 265-266:71-6. doi: 10.1016/j.mce.2006.12.006

Publication date: January 17, 2007

PMID: 17234335

Analysis of binding site similarity, small-molecule similarity and experimental binding profiles in the human cytosolic sulfotransferase family.

Najmanovich RJ, Allali-Hassani A, Morris RJ, Dombrovsky L, Pan PW, Vedadi M, Plotnikov AN, Edwards A, Arrowsmith C, Thornton JM

Bioinformatics. 23(2):e104-9. doi: 10.1093/bioinformatics/btl292

Publication date: January 15, 2007

PMID: 17237076

2006

Resonance assignment of the RGS domain of human RGS10.

Fedorov OY, Higman VA, Schmieder P, Leidert M, Diehl A, Elkins J, Soundararajan M, Oschkinat H, Ball LJ

J. Biomol. NMR. 38(2):191. doi: 10.1007/s10858-006-9111-0

Publication date: December 19, 2006

PMID: 17180548

Amino-terminal dimerization, NRDP1-rhodanese interaction, and inhibited catalytic domain conformation of the ubiquitin-specific protease 8 (USP8).

Avvakumov GV, Walker JR, Xue S, Finerty PJ, Mackenzie F, Newman EM, Dhe-Paganon S

J. Biol. Chem.. 281(49):38061-70. doi: 10.1074/jbc.M606704200

Publication date: December 8, 2006

PMID: 17035239

Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.

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, Hui R

Mol. Biochem. Parasitol.. 151(1):100-10. doi: 10.1016/j.molbiopara.2006.10.011

Publication date: November 13, 2006

PMID: 17125854

Screening for ligands using a generic and high-throughput light-scattering-based assay.

Senisterra GA, Markin E, Yamazaki K, Hui R, Vedadi M, Awrey DE

J Biomol Screen. 11(8):940-8. doi: 10.1177/1087057106294699

Publication date: November 7, 2006

PMID: 17092916

Structure of human protein kinase C eta (PKCeta) C2 domain and identification of phosphorylation sites.

Littler DR, Walker JR, She YM, Finerty PJ, Newman EM, Dhe-Paganon S

Biochem. Biophys. Res. Commun.. 349(4):1182-9. doi: 10.1016/j.bbrc.2006.08.160

Publication date: November 3, 2006

PMID: 16973127

Chemical screening methods to identify ligands that promote protein stability, protein crystallization, and structure determination.

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, Edwards AM

Proc. Natl. Acad. Sci. U.S.A.. 103(43):15835-40. doi: 10.1073/pnas.0605224103

Publication date: October 24, 2006

PMID: 17035505

Type 1 11beta-hydroxysteroid dehydrogenase as universal drug target in metabolic diseases?

Oppermann U

Endocr Metab Immune Disord Drug Targets. 6(3):259-69.

Publication date: October 5, 2006

PMID: 17017977

Carbonyl reductases: the complex relationships of mammalian carbonyl- and quinone-reducing enzymes and their role in physiology.

Oppermann U

Annu. Rev. Pharmacol. Toxicol.. 47:293-322. doi: 10.1146/annurev.pharmtox.47.120505.105316

Publication date: October 3, 2006

PMID: 17009925

Structural basis for molecular recognition and presentation of histone H3 by WDR5.

Schuetz A, Allali-Hassani A, Martín F, Loppnau P, Vedadi M, Bochkarev A, Plotnikov AN, Arrowsmith CH, Min J

EMBO J.. 25(18):4245-52. doi: 10.1038/sj.emboj.7601316

Publication date: September 20, 2006

PMID: 16946699

Crystal structures of human sulfotransferases SULT1B1 and SULT1C1 complexed with the cofactor product adenosine-3'- 5'-diphosphate (PAP).

Dombrovski L, Dong A, Bochkarev A, Plotnikov AN

Proteins. 64(4):1091-4. doi: 10.1002/prot.21048

Publication date: September 1, 2006

PMID: 16804942

MAPK-specific tyrosine phosphatases: new targets for drug discovery?

Barr AJ, Knapp S

Trends Pharmacol. Sci.. 27(10):525-30. doi: 10.1016/j.tips.2006.08.005

Publication date: August 21, 2006

PMID: 16919785

The crystal structure of human geranylgeranyl pyrophosphate synthase reveals a novel hexameric arrangement and inhibitory product binding.

Kavanagh KL, Dunford JE, Bunkoczi G, Russell RG, Oppermann U

J. Biol. Chem.. 281(31):22004-12. doi: 10.1074/jbc.M602603200

Publication date: August 4, 2006

PMID: 16698791

High-throughput structural characterisation of therapeutic protein targets.

Marsden BD, Sundstrom M, Knapp S

Expert Opin Drug Discov. 1(2):123-36. doi: 10.1517/17460441.1.2.123

Publication date: July 1, 2006

PMID: 23495796

Inhibition of protein-protein interactions: the discovery of druglike beta-catenin inhibitors by combining virtual and biophysical screening.

Trosset JY, Dalvit C, Knapp S, Fasolini M, Veronesi M, Mantegani S, Gianellini LM, Catana C, Sundström M, Stouten PF, Moll JK

Proteins. 64(1):60-7. doi: 10.1002/prot.20955

Publication date: July 1, 2006

PMID: 16568448

Crystal structure of human protein tyrosine phosphatase 14 (PTPN14) at 1.65-A resolution.

Barr AJ, Debreczeni JE, Eswaran J, Knapp S

Proteins. 63(4):1132-6. doi: 10.1002/prot.20958

Publication date: June 1, 2006

PMID: 16534812

Crystal structure of the SOCS2-elongin C-elongin B complex defines a prototypical SOCS box ubiquitin ligase.

Bullock AN, Debreczeni JE, Edwards AM, Sundström M, Knapp S

Proc. Natl. Acad. Sci. U.S.A.. 103(20):7637-42. doi: 10.1073/pnas.0601638103

Publication date: May 16, 2006

PMID: 16675548

The molecular mechanism of nitrogen-containing bisphosphonates as antiosteoporosis drugs.

Kavanagh KL, Guo K, Dunford JE, Wu X, Knapp S, Ebetino FH, Rogers MJ, Russell RG, Oppermann U

Proc. Natl. Acad. Sci. U.S.A.. 103(20):7829-34. doi: 10.1073/pnas.0601643103

Publication date: May 16, 2006

PMID: 16684881

The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1.

Eswaran J, Debreczeni JE, Longman E, Barr AJ, Knapp S

Protein Sci.. 15(6):1500-5. doi: 10.1110/ps.062128706

Publication date: May 2, 2006

PMID: 16672235

Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases.

Eswaran J, von Kries JP, Marsden B, Longman E, Debreczeni JE, Ugochukwu E, Turnbull A, Lee WH, Knapp S, Barr AJ

Biochem. J.. 395(3):483-91. doi: 10.1042/BJ20051931

Publication date: May 1, 2006

PMID: 16441242

Gas phase characterization of the noncovalent quaternary structure of cholera toxin and the cholera toxin B subunit pentamer.

Williams JP, Smith DC, Green BN, Marsden BD, Jennings KR, Roberts LM, Scrivens JH

Biophys. J.. 90(9):3246-54. doi: 10.1529/biophysj.105.076455

Publication date: May 1, 2006

PMID: 16461395

Characterization of human DHRS6, an orphan short chain dehydrogenase/reductase enzyme: a novel, cytosolic type 2 R-beta-hydroxybutyrate dehydrogenase.

Guo K, Lukacik P, Papagrigoriou E, Meier M, Lee WH, Adamski J, Oppermann U

J. Biol. Chem.. 281(15):10291-7. doi: 10.1074/jbc.M511346200

Publication date: April 14, 2006

PMID: 16380372

Active site variability of type 1 11beta-hydroxysteroid dehydrogenase revealed by selective inhibitors and cross-species comparisons.

Hult M, Shafqat N, Elleby B, Mitschke D, Svensson S, Forsgren M, Barf T, Vallgårda J, Abrahmsen L, Oppermann U

Mol. Cell. Endocrinol.. 248(1-2):26-33. doi: 10.1016/j.mce.2005.11.043

Publication date: March 27, 2006

PMID: 16431016

Structure and function of human 17beta-hydroxysteroid dehydrogenases.

Lukacik P, Kavanagh KL, Oppermann U

Mol. Cell. Endocrinol.. 248(1-2):61-71. doi: 10.1016/j.mce.2005.12.007

Publication date: March 27, 2006

PMID: 16414178

Ruthenium half-sandwich complexes bound to protein kinase Pim-1.

Debreczeni JE, Bullock AN, Atilla GE, Williams DS, Bregman H, Knapp S, Meggers E

Angew. Chem. Int. Ed. Engl.. 45(10):1580-5. doi: 10.1002/anie.200503468

Publication date: February 27, 2006

PMID: 16381041

Disseminating structural genomics data to the public: from a data dump to an animated story.

Abagyan R, Lee WH, Raush E, Budagyan L, Totrov M, Sundstrom M, Marsden BD

Trends Biochem. Sci.. 31(2):76-8. doi: 10.1016/j.tibs.2005.12.006

Publication date: January 6, 2006

PMID: 16406633

2005

Structure and substrate specificity of the Pim-1 kinase.

Bullock AN, Debreczeni J, Amos AL, Knapp S, Turk BE

J. Biol. Chem.. 280(50):41675-82. doi: 10.1074/jbc.M510711200

Publication date: December 16, 2005

PMID: 16227208

Structure of human phytanoyl-CoA 2-hydroxylase identifies molecular mechanisms of Refsum disease.

McDonough MA, Kavanagh KL, Butler D, Searls T, Oppermann U, Schofield CJ

J. Biol. Chem.. 280(49):41101-10. doi: 10.1074/jbc.M507528200

Publication date: December 9, 2005

PMID: 16186124

Structural basis of inhibitor specificity of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM-1) kinase.

Bullock AN, Debreczeni JE, Fedorov OY, Nelson A, Marsden BD, Knapp S

J. Med. Chem.. 48(24):7604-14. doi: 10.1021/jm0504858

Publication date: December 1, 2005

PMID: 16302800

Regulation of the wild-type and Y1235D mutant Met kinase activation.

Cristiani C, Rusconi L, Perego R, Schiering N, Kalisz HM, Knapp S, Isacchi A

Biochemistry. 44(43):14110-9. doi: 10.1021/bi051242k

Publication date: November 1, 2005

PMID: 16245927

The crystal structure of guinea pig 11beta-hydroxysteroid dehydrogenase type 1 provides a model for enzyme-lipid bilayer interactions.

Ogg D, Elleby B, Norström C, Stefansson K, Abrahmsén L, Oppermann U, Svensson S

J. Biol. Chem.. 280(5):3789-94. doi: 10.1074/jbc.M412463200

Publication date: February 4, 2005

PMID: 15542590

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