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Items: 1 to 50 of 163

1.

The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.

Schulz EC, Mehrabi P, Müller-Werkmeister HM, Tellkamp F, Jha A, Stuart W, Persch E, De Gasparo R, Diederich F, Pai EF, Miller RJD.

Nat Methods. 2018 Nov;15(11):901-904. doi: 10.1038/s41592-018-0180-2. Epub 2018 Oct 30.

PMID:
30377366
2.

The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities.

Dhagat U, Hercus TR, Broughton SE, Nero TL, Cheung Tung Shing KS, Barry EF, Thomson CA, Bryson S, Pai EF, McClure BJ, Schrader JW, Lopez AF, Parker MW.

MAbs. 2018 Oct;10(7):1018-1029. doi: 10.1080/19420862.2018.1494107. Epub 2018 Sep 12.

PMID:
29969365
3.

Preclinical evaluation of the selective small-molecule UBA1 inhibitor, TAK-243, in acute myeloid leukemia.

Barghout SH, Patel PS, Wang X, Xu GW, Kavanagh S, Halgas O, Zarabi SF, Gronda M, Hurren R, Jeyaraju DV, MacLean N, Brennan S, Hyer ML, Berger A, Traore T, Milhollen M, Smith AC, Minden MD, Pai EF, Hakem R, Schimmer AD.

Leukemia. 2018 Jun 8. doi: 10.1038/s41375-018-0167-0. [Epub ahead of print]

PMID:
29884901
4.

The prion protein is embedded in a molecular environment that modulates transforming growth factor β and integrin signaling.

Ghodrati F, Mehrabian M, Williams D, Halgas O, Bourkas MEC, Watts JC, Pai EF, Schmitt-Ulms G.

Sci Rep. 2018 Jun 5;8(1):8654. doi: 10.1038/s41598-018-26685-x.

5.

Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma.

De Gasparo R, Brodbeck-Persch E, Bryson S, Hentzen NB, Kaiser M, Pai EF, Krauth-Siegel RL, Diederich F.

ChemMedChem. 2018 May 8;13(9):957-967. doi: 10.1002/cmdc.201800067. Epub 2018 Apr 6.

PMID:
29624890
6.

Mild orotic aciduria in UMPS heterozygotes: a metabolic finding without clinical consequences.

Wortmann SB, Chen MA, Colombo R, Pontoglio A, Alhaddad B, Botto LD, Yuzyuk T, Coughlin CR, Descartes M, Grűnewald S, Maranda B, Mills PB, Pitt J, Potente C, Rodenburg R, Kluijtmans LA, Sampath S, Pai EF, Wevers RA, Tiller GE; additional individual contributors.

J Inherit Metab Dis. 2017 May;40(3):423-431. doi: 10.1007/s10545-017-0015-9. Epub 2017 Feb 15.

7.

The role of dimer asymmetry and protomer dynamics in enzyme catalysis.

Kim TH, Mehrabi P, Ren Z, Sljoka A, Ing C, Bezginov A, Ye L, Pomès R, Prosser RS, Pai EF.

Science. 2017 Jan 20;355(6322). pii: eaag2355. doi: 10.1126/science.aag2355.

PMID:
28104837
8.

Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family.

Chirgadze YN, Boshkova EA, Battaile KP, Mendes VG, Lam R, Chan TSY, Romanov V, Pai EF, Chirgadze NY.

J Biomol Struct Dyn. 2018 Feb;36(2):376-386. doi: 10.1080/07391102.2016.1278038. Epub 2017 Jan 16.

PMID:
28034013
9.

Structures of Preferred Human IgV Genes-Based Protective Antibodies Identify How Conserved Residues Contact Diverse Antigens and Assign Source of Specificity to CDR3 Loop Variation.

Bryson S, Thomson CA, Risnes LF, Dasgupta S, Smith K, Schrader JW, Pai EF.

J Immunol. 2016 Jun 1;196(11):4723-30. doi: 10.4049/jimmunol.1402890. Epub 2016 Apr 29.

10.

Data publication with the structural biology data grid supports live analysis.

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, Fromme JC, 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.

Nat Commun. 2016 Mar 7;7:10882. doi: 10.1038/ncomms10882.

11.

EspP, an Extracellular Serine Protease from Enterohemorrhagic E. coli, Reduces Coagulation Factor Activities, Reduces Clot Strength, and Promotes Clot Lysis.

Kuo KH, Khan S, Rand ML, Mian HS, Brnjac E, Sandercock LE, Akula I, Julien JP, Pai EF, Chesney AE.

PLoS One. 2016 Mar 2;11(3):e0149830. doi: 10.1371/journal.pone.0149830. eCollection 2016.

12.

Development and Characterization of Potent Cyclic Acyldepsipeptide Analogues with Increased Antimicrobial Activity.

Goodreid JD, Janetzko J, Santa Maria JP Jr, Wong KS, Leung E, Eger BT, Bryson S, Pai EF, Gray-Owen SD, Walker S, Houry WA, Batey RA.

J Med Chem. 2016 Jan 28;59(2):624-46. doi: 10.1021/acs.jmedchem.5b01451. Epub 2016 Jan 12.

PMID:
26818454
13.

Fixed target matrix for femtosecond time-resolved and in situ serial micro-crystallography.

Mueller C, Marx A, Epp SW, Zhong Y, Kuo A, Balo AR, Soman J, Schotte F, Lemke HT, Owen RL, Pai EF, Pearson AR, Olson JS, Anfinrud PA, Ernst OP, Dwayne Miller RJ.

Struct Dyn. 2015 Aug 18;2(5):054302. doi: 10.1063/1.4928706. eCollection 2015 Sep.

14.

Nicotinamide mononucleotide adenylyltransferase displays alternate binding modes for nicotinamide nucleotides.

Pfoh R, Pai EF, Saridakis V.

Acta Crystallogr D Biol Crystallogr. 2015 Oct;71(Pt 10):2032-9. doi: 10.1107/S1399004715015497. Epub 2015 Sep 26.

15.

Characterization of Vis Toxin, a Novel ADP-Ribosyltransferase from Vibrio splendidus.

Ravulapalli R, Lugo MR, Pfoh R, Visschedyk D, Poole A, Fieldhouse RJ, Pai EF, Merrill AR.

Biochemistry. 2015 Sep 29;54(38):5920-36. doi: 10.1021/acs.biochem.5b00921. Epub 2015 Sep 17.

PMID:
26352925
16.

Hydrophobic Gating of Ion Permeation in Magnesium Channel CorA.

Neale C, Chakrabarti N, Pomorski P, Pai EF, Pomès R.

PLoS Comput Biol. 2015 Jul 16;11(7):e1004303. doi: 10.1371/journal.pcbi.1004303. eCollection 2015 Jul.

17.

Orotidine Monophosphate Decarboxylase--A Fascinating Workhorse Enzyme with Therapeutic Potential.

Fujihashi M, Mnpotra JS, Mishra RK, Pai EF, Kotra LP.

J Genet Genomics. 2015 May 20;42(5):221-34. doi: 10.1016/j.jgg.2015.04.005. Epub 2015 May 16. Review.

PMID:
26059770
18.

The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase.

Nishino T, Okamoto K, Kawaguchi Y, Matsumura T, Eger BT, Pai EF, Nishino T.

FEBS J. 2015 Aug;282(16):3075-90. doi: 10.1111/febs.13277. Epub 2015 Apr 13.

19.

The structure of SAV1646 from Staphylococcus aureus belonging to a new `ribosome-associated' subfamily of bacterial proteins.

Chirgadze YN, Clarke TE, Romanov V, Kisselman G, Wu-Brown J, Soloveychik M, Chan TS, Gordon RD, Battaile KP, Pai EF, Chirgadze NY.

Acta Crystallogr D Biol Crystallogr. 2015 Feb;71(Pt 2):332-7. doi: 10.1107/S1399004714025619. Epub 2015 Jan 23.

PMID:
25664743
20.

X-ray structure of a Hg2+ complex of mercuric reductase (MerA) and quantum mechanical/molecular mechanical study of Hg2+ transfer between the C-terminal and buried catalytic site cysteine pairs.

Lian P, Guo HB, Riccardi D, Dong A, Parks JM, Xu Q, Pai EF, Miller SM, Wei DQ, Smith JC, Guo H.

Biochemistry. 2014 Nov 25;53(46):7211-22. doi: 10.1021/bi500608u. Epub 2014 Nov 13.

21.

Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.

Qiu W, Lam R, Voytyuk O, Romanov V, Gordon R, Gebremeskel S, Vodsedalek J, Thompson C, Beletskaya I, Battaile KP, Pai EF, Rottapel R, Chirgadze NY.

Acta Crystallogr D Biol Crystallogr. 2014 Oct;70(Pt 10):2740-53. doi: 10.1107/S1399004714017660. Epub 2014 Sep 27.

22.

Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.

Persch E, Bryson S, Todoroff NK, Eberle C, Thelemann J, Dirdjaja N, Kaiser M, Weber M, Derbani H, Brun R, Schneider G, Pai EF, Krauth-Siegel RL, Diederich F.

ChemMedChem. 2014 Aug;9(8):1880-91. doi: 10.1002/cmdc.201402032. Epub 2014 Apr 30.

PMID:
24788386
23.

Structural insights into Noonan/LEOPARD syndrome-related mutants of protein-tyrosine phosphatase SHP2 (PTPN11).

Qiu W, Wang X, Romanov V, Hutchinson A, Lin A, Ruzanov M, Battaile KP, Pai EF, Neel BG, Chirgadze NY.

BMC Struct Biol. 2014 Mar 14;14:10. doi: 10.1186/1472-6807-14-10.

24.

A porphodimethene chemical inhibitor of uroporphyrinogen decarboxylase.

Yip KW, Zhang Z, Sakemura-Nakatsugawa N, Huang JW, Vu NM, Chiang YK, Lin CL, Kwan JY, Yue S, Jitkova Y, To T, Zahedi P, Pai EF, Schimmer AD, Lovell JF, Sessler JL, Liu FF.

PLoS One. 2014 Feb 25;9(2):e89889. doi: 10.1371/journal.pone.0089889. eCollection 2014.

25.

Structure and immunogenicity of a peptide vaccine, including the complete HIV-1 gp41 2F5 epitope: implications for antibody recognition mechanism and immunogen design.

Serrano S, Araujo A, Apellániz B, Bryson S, Carravilla P, de la Arada I, Huarte N, Rujas E, Pai EF, Arrondo JL, Domene C, Jiménez MA, Nieva JL.

J Biol Chem. 2014 Mar 7;289(10):6565-80. doi: 10.1074/jbc.M113.527747. Epub 2014 Jan 15.

26.

Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase.

Fujihashi M, Ishida T, Kuroda S, Kotra LP, Pai EF, Miki K.

J Am Chem Soc. 2013 Nov 20;135(46):17432-43. doi: 10.1021/ja408197k. Epub 2013 Nov 11.

27.

Opsin, a structural model for olfactory receptors?

Park JH, Morizumi T, Li Y, Hong JE, Pai EF, Hofmann KP, Choe HW, Ernst OP.

Angew Chem Int Ed Engl. 2013 Oct 11;52(42):11021-4. doi: 10.1002/anie.201302374. Epub 2013 Aug 26.

PMID:
24038729
28.

The structure and regulation of magnesium selective ion channels.

Payandeh J, Pfoh R, Pai EF.

Biochim Biophys Acta. 2013 Nov;1828(11):2778-92. doi: 10.1016/j.bbamem.2013.08.002. Epub 2013 Aug 15. Review.

29.

Resolution of structural heterogeneity in dynamic crystallography.

Ren Z, Chan PW, Moffat K, Pai EF, Royer WE Jr, Šrajer V, Yang X.

Acta Crystallogr D Biol Crystallogr. 2013 Jun;69(Pt 6):946-59. doi: 10.1107/S0907444913003454. Epub 2013 May 2.

30.

N-terminal helix-cap in α-helix 2 modulates β-state misfolding in rabbit and hamster prion proteins.

Sweeting B, Brown E, Khan MQ, Chakrabartty A, Pai EF.

PLoS One. 2013 May 10;8(5):e63047. doi: 10.1371/journal.pone.0063047. Print 2013.

31.

Crystal structure of the CN-hydrolase SA0302 from the pathogenic bacterium Staphylococcus aureus belonging to the Nit and NitFhit Branch of the nitrilase superfamily.

Gordon RD, Qiu W, Romanov V, Lam K, Soloveychik M, Benetteraj D, Battaile KP, Chirgadze YN, Pai EF, Chirgadze NY.

J Biomol Struct Dyn. 2013 Oct;31(10):1057-65. doi: 10.1080/07391102.2012.719111. Epub 2012 Oct 2.

PMID:
23607706
32.

Antimalarial activities of 6-iodouridine and its prodrugs and potential for combination therapy.

Crandall IE, Wasilewski E, Bello AM, Mohmmed A, Malhotra P, Pai EF, Kain KC, Kotra LP.

J Med Chem. 2013 Mar 28;56(6):2348-58. doi: 10.1021/jm301678j. Epub 2013 Mar 6.

PMID:
23410043
33.
34.

Structural asymmetry in the magnesium channel CorA points to sequential allosteric regulation.

Pfoh R, Li A, Chakrabarti N, Payandeh J, Pomès R, Pai EF.

Proc Natl Acad Sci U S A. 2012 Nov 13;109(46):18809-14. doi: 10.1073/pnas.1209018109. Epub 2012 Oct 29.

35.

Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist.

Purohit MK, Poduch E, Wei LW, Crandall IE, To T, Kain KC, Pai EF, Kotra LP.

J Med Chem. 2012 Nov 26;55(22):9988-97. doi: 10.1021/jm301176r. Epub 2012 Oct 18.

PMID:
22991951
36.

Neutralizing epitopes in the membrane-proximal external region of HIV-1 gp41 are influenced by the transmembrane domain and the plasma membrane.

Montero M, Gulzar N, Klaric KA, Donald JE, Lepik C, Wu S, Tsai S, Julien JP, Hessell AJ, Wang S, Lu S, Burton DR, Pai EF, Degrado WF, Scott JK.

J Virol. 2012 Mar;86(6):2930-41. doi: 10.1128/JVI.06349-11. Epub 2012 Jan 11.

37.

Protein conformational gating of enzymatic activity in xanthine oxidoreductase.

Ishikita H, Eger BT, Okamoto K, Nishino T, Pai EF.

J Am Chem Soc. 2012 Jan 18;134(2):999-1009. doi: 10.1021/ja207173p. Epub 2011 Dec 29.

38.

Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.

Azoitei ML, Ban YE, Julien JP, Bryson S, Schroeter A, Kalyuzhniy O, Porter JR, Adachi Y, Baker D, Pai EF, Schief WR.

J Mol Biol. 2012 Jan 6;415(1):175-92. doi: 10.1016/j.jmb.2011.10.003. Epub 2011 Oct 31.

PMID:
22061265
39.

Crystal structure of the passenger domain of the Escherichia coli autotransporter EspP.

Khan S, Mian HS, Sandercock LE, Chirgadze NY, Pai EF.

J Mol Biol. 2011 Nov 11;413(5):985-1000. doi: 10.1016/j.jmb.2011.09.028. Epub 2011 Sep 22.

40.

Activators of cylindrical proteases as antimicrobials: identification and development of small molecule activators of ClpP protease.

Leung E, Datti A, Cossette M, Goodreid J, McCaw SE, Mah M, Nakhamchik A, Ogata K, El Bakkouri M, Cheng YQ, Wodak SJ, Eger BT, Pai EF, Liu J, Gray-Owen S, Batey RA, Houry WA.

Chem Biol. 2011 Sep 23;18(9):1167-78. doi: 10.1016/j.chembiol.2011.07.023.

41.

Relative and regional stabilities of the hamster, mouse, rabbit, and bovine prion proteins toward urea unfolding assessed by nuclear magnetic resonance and circular dichroism spectroscopies.

Julien O, Chatterjee S, Bjorndahl TC, Sweeting B, Acharya S, Semenchenko V, Chakrabartty A, Pai EF, Wishart DS, Sykes BD, Cashman NR.

Biochemistry. 2011 Sep 6;50(35):7536-45. doi: 10.1021/bi200731e. Epub 2011 Aug 9.

PMID:
21800884
42.

X-CHIP: an integrated platform for high-throughput protein crystallization and on-the-chip X-ray diffraction data collection.

Kisselman G, Qiu W, Romanov V, Thompson CM, Lam R, Battaile KP, Pai EF, Chirgadze NY.

Acta Crystallogr D Biol Crystallogr. 2011 Jun;67(Pt 6):533-9. doi: 10.1107/S0907444911011589. Epub 2011 May 12.

43.

Crystal structure of alkyl hydroperoxidase D like protein PA0269 from Pseudomonas aeruginosa: homology of the AhpD-like structural family.

Clarke TE, Romanov V, Chirgadze YN, Klomsiri C, Kisselman G, Wu-Brown J, Poole LB, Pai EF, Chirgadze NY.

BMC Struct Biol. 2011 May 26;11:27. doi: 10.1186/1472-6807-11-27.

44.

Mapping the reaction coordinates of enzymatic defluorination.

Chan PW, Yakunin AF, Edwards EA, Pai EF.

J Am Chem Soc. 2011 May 18;133(19):7461-8. doi: 10.1021/ja200277d. Epub 2011 Apr 21.

45.

Novel interactions of fluorinated nucleotide derivatives targeting orotidine 5'-monophosphate decarboxylase.

Lewis M, Meza-Avina ME, Wei L, Crandall IE, Bello AM, Poduch E, Liu Y, Paige CJ, Kain KC, Pai EF, Kotra LP.

J Med Chem. 2011 Apr 28;54(8):2891-901. doi: 10.1021/jm101642g. Epub 2011 Mar 21.

46.

Crystal structure of metarhodopsin II.

Choe HW, Kim YJ, Park JH, Morizumi T, Pai EF, Krauss N, Hofmann KP, Scheerer P, Ernst OP.

Nature. 2011 Mar 31;471(7340):651-5. doi: 10.1038/nature09789. Epub 2011 Mar 9.

PMID:
21389988
47.

Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase.

Kanjee U, Gutsche I, Alexopoulos E, Zhao B, El Bakkouri M, Thibault G, Liu K, Ramachandran S, Snider J, Pai EF, Houry WA.

EMBO J. 2011 Mar 2;30(5):931-44. doi: 10.1038/emboj.2011.5. Epub 2011 Jan 28.

48.

Sequence- and activity-based screening of microbial genomes for novel dehalogenases.

Chan WY, Wong M, Guthrie J, Savchenko AV, Yakunin AF, Pai EF, Edwards EA.

Microb Biotechnol. 2010 Jan;3(1):107-20. doi: 10.1111/j.1751-7915.2009.00155.x. Epub 2009 Nov 12.

49.

Interaction of anti-HIV type 1 antibody 2F5 with phospholipid bilayers and its relevance for the mechanism of virus neutralization.

Maeso R, Huarte N, Julien JP, Kunert R, Pai EF, Nieva JL.

AIDS Res Hum Retroviruses. 2011 Aug;27(8):863-76. doi: 10.1089/AID.2010.0265. Epub 2011 Jan 15.

PMID:
21142698
50.

Crystal structures of urate bound form of xanthine oxidoreductase: substrate orientation and structure of the key reaction intermediate.

Okamoto K, Kawaguchi Y, Eger BT, Pai EF, Nishino T.

J Am Chem Soc. 2010 Dec 8;132(48):17080-3. doi: 10.1021/ja1077574. Epub 2010 Nov 15.

PMID:
21077683

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