Year |
Citation |
Score |
2019 |
Mehrabi P, Schulz EC, Dsouza R, Müller-Werkmeister HM, Tellkamp F, Miller RJD, Pai EF. Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science (New York, N.Y.). 365: 1167-1170. PMID 31515393 DOI: 10.1126/Science.Aaw9904 |
0.363 |
|
2019 |
De Gasparo R, Halgas O, Harangozo D, Kaiser M, Pai EF, Krauth-Siegel RL, Diederich F. Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31407832 DOI: 10.1002/Chem.201901664 |
0.477 |
|
2019 |
Mehrabi P, Di Pietrantonio C, Kim TH, Sljoka A, Taverner K, Ing C, Kruglyak N, Pomès R, Pai EF, Prosser RS. Substrate-based Allosteric Regulation of a Homodimeric Enzyme. Journal of the American Chemical Society. PMID 31188575 DOI: 10.1021/Jacs.9B03703 |
0.375 |
|
2019 |
Ishizawa J, Zarabi SF, Davis RE, Halgas O, Nii T, Jitkova Y, Zhao R, St-Germain J, Heese LE, Egan G, Ruvolo VR, Barghout SH, Nishida Y, Hurren R, Ma W, ... ... Pai EF, et al. Abstract 2720: Mitochondrial ClpP-mediated proteolysis induces selective cancer cell lethality Cancer Research. 79: 2720-2720. DOI: 10.1158/1538-7445.Am2019-2720 |
0.318 |
|
2018 |
Schulz EC, Mehrabi P, Müller-Werkmeister HM, Tellkamp F, Jha A, Stuart W, Persch E, De Gasparo R, Diederich F, Pai EF, Miller RJD. The hit-and-return system enables efficient time-resolved serial synchrotron crystallography. Nature Methods. 15: 901-904. PMID 30377366 DOI: 10.1038/S41592-018-0180-2 |
0.413 |
|
2018 |
De Gasparo R, Brodbeck-Persch E, Bryson S, Hentzen NB, Kaiser M, Pai EF, Krauth-Siegel RL, Diederich F. Biological Evaluation and X-ray Co-crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma. Chemmedchem. PMID 29624890 DOI: 10.1002/Cmdc.201800067 |
0.509 |
|
2018 |
Mehrabi P, Schulz E, Müller-Werkmeister HM, Persch E, De Gasparo R, Diederich F, Tellkamp F, Pai E, Miller RJD. Time-resolved crystallography via an interlacing approach allows elucidation of milliseconds to seconds time delays Acta Crystallographica Section a Foundations and Advances. 74: e138-e138. DOI: 10.1107/S205327331809321X |
0.372 |
|
2018 |
Mehrabi P, Schulz EC, Müller-Werkmeister HM, Tellkamp F, Stuart W, Persch E, De Gasparo R, Diederich F, Pai EF, Miller RJD. Time-resolved serial synchrotron crystallography: an efficient interlacing system enables milliseconds to seconds time delays Acta Crystallographica Section a Foundations and Advances. 74: a53-a53. DOI: 10.1107/S0108767318099464 |
0.372 |
|
2017 |
Kim TH, Mehrabi P, Ren Z, Sljoka A, Ing C, Bezginov A, Ye L, Pomès R, Prosser RS, Pai EF. The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science (New York, N.Y.). 355. PMID 28104837 DOI: 10.1126/Science.Aag2355 |
0.385 |
|
2016 |
Chirgadze YN, Boshkova EA, Battaile KP, Mendes VG, Lam R, Chan TS, Romanov V, Pai EF, Chirgadze NY. Crystal structure of Staphylococcus aureus Zn-glyoxalase I: new subfamily of glyoxalase I family. Journal of Biomolecular Structure & Dynamics. 1-26. PMID 28034013 DOI: 10.1080/07391102.2016.1278038 |
0.362 |
|
2016 |
Bryson S, Thomson CA, Risnes LF, Dasgupta S, Smith K, Schrader JW, Pai EF. 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. Journal of Immunology (Baltimore, Md. : 1950). PMID 27183571 DOI: 10.4049/Jimmunol.1402890 |
0.312 |
|
2016 |
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, ... ... Pai EF, et al. Data publication with the structural biology data grid supports live analysis. Nature Communications. 7: 10882. PMID 26947396 DOI: 10.1038/Ncomms10882 |
0.727 |
|
2016 |
Kuo KH, Khan S, Rand ML, Mian HS, Brnjac E, Sandercock LE, Akula I, Julien JP, Pai EF, Chesney AE. EspP, an Extracellular Serine Protease from Enterohemorrhagic E. coli, Reduces Coagulation Factor Activities, Reduces Clot Strength, and Promotes Clot Lysis. Plos One. 11: e0149830. PMID 26934472 DOI: 10.1371/Journal.Pone.0149830 |
0.58 |
|
2015 |
Pfoh R, Pai EF, Saridakis V. Nicotinamide mononucleotide adenylyltransferase displays alternate binding modes for nicotinamide nucleotides. Acta Crystallographica. Section D, Biological Crystallography. 71: 2032-9. PMID 26457427 DOI: 10.1107/S010876731107992X |
0.757 |
|
2015 |
Ravulapalli R, Lugo MR, Pfoh R, Visschedyk D, Poole A, Fieldhouse RJ, Pai EF, Merrill AR. Characterization of Vis Toxin, a Novel ADP-Ribosyltransferase from Vibrio splendidus. Biochemistry. 54: 5920-36. PMID 26352925 DOI: 10.1021/Acs.Biochem.5B00921 |
0.356 |
|
2015 |
Fujihashi M, Mnpotra JS, Mishra RK, Pai EF, Kotra LP. Orotidine Monophosphate Decarboxylase--A Fascinating Workhorse Enzyme with Therapeutic Potential. Journal of Genetics and Genomics = Yi Chuan Xue Bao. 42: 221-34. PMID 26059770 DOI: 10.1016/J.Jgg.2015.04.005 |
0.411 |
|
2015 |
Nishino T, Okamoto K, Kawaguchi Y, Matsumura T, Eger BT, Pai EF, Nishino T. The C-terminal peptide plays a role in the formation of an intermediate form during the transition between xanthine dehydrogenase and xanthine oxidase. The Febs Journal. PMID 25817260 DOI: 10.1111/Febs.13277 |
0.424 |
|
2015 |
Chirgadze YN, Clarke TE, Romanov V, Kisselman G, Wu-Brown J, Soloveychik M, Chan TS, Gordon RD, Battaile KP, Pai EF, Chirgadze NY. The structure of SAV1646 from Staphylococcus aureus belonging to a new `ribosome-associated' subfamily of bacterial proteins. Acta Crystallographica. Section D, Biological Crystallography. 71: 332-7. PMID 25664743 DOI: 10.1107/S1399004714025619 |
0.362 |
|
2014 |
Lian P, Guo HB, Riccardi D, Dong A, Parks JM, Xu Q, Pai EF, Miller SM, Wei DQ, Smith JC, Guo H. 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. Biochemistry. 53: 7211-22. PMID 25343681 DOI: 10.1021/Bi500608U |
0.314 |
|
2014 |
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. Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2. Acta Crystallographica. Section D, Biological Crystallography. 70: 2740-53. PMID 25286857 DOI: 10.1107/S1399004714017660 |
0.323 |
|
2014 |
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. Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase. Chemmedchem. 9: 1880-91. PMID 24788386 DOI: 10.1002/Cmdc.201402032 |
0.524 |
|
2014 |
Fujihashi M, Ishida T, Kuroda S, Mito K, Kotra L, Pai E, Miki K. Substrate distortion in the catalysis of orotidine monophosphate decarboxylase Acta Crystallographica Section a Foundations and Advances. 70: C447-C447. DOI: 10.1107/S2053273314095527 |
0.4 |
|
2013 |
Fujihashi M, Ishida T, Kuroda S, Kotra LP, Pai EF, Miki K. Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase. Journal of the American Chemical Society. 135: 17432-43. PMID 24151964 DOI: 10.1021/Ja408197K |
0.348 |
|
2013 |
Payandeh J, Pfoh R, Pai EF. The structure and regulation of magnesium selective ion channels. Biochimica Et Biophysica Acta. 1828: 2778-92. PMID 23954807 DOI: 10.1016/J.Bbamem.2013.08.002 |
0.326 |
|
2013 |
Ren Z, Chan PW, Moffat K, Pai EF, Royer WE, Šrajer V, Yang X. Resolution of structural heterogeneity in dynamic crystallography. Acta Crystallographica. Section D, Biological Crystallography. 69: 946-59. PMID 23695239 DOI: 10.1107/S0907444913003454 |
0.321 |
|
2013 |
Sweeting B, Brown E, Khan MQ, Chakrabartty A, Pai EF. N-terminal helix-cap in α-helix 2 modulates β-state misfolding in rabbit and hamster prion proteins. Plos One. 8: e63047. PMID 23675452 DOI: 10.1371/Journal.Pone.0063047 |
0.766 |
|
2013 |
Gordon RD, Qiu W, Romanov V, Lam K, Soloveychik M, Benetteraj D, Battaile KP, Chirgadze YN, Pai EF, Chirgadze NY. Crystal structure of the CN-hydrolase SA0302 from the pathogenic bacterium Staphylococcus aureus belonging to the Nit and NitFhit Branch of the nitrilase superfamily. Journal of Biomolecular Structure & Dynamics. 31: 1057-65. PMID 23607706 DOI: 10.1080/07391102.2012.719111 |
0.318 |
|
2012 |
Pfoh R, Li A, Chakrabarti N, Payandeh J, Pomès R, Pai EF. Structural asymmetry in the magnesium channel CorA points to sequential allosteric regulation. Proceedings of the National Academy of Sciences of the United States of America. 109: 18809-14. PMID 23112165 DOI: 10.1073/Pnas.1209018109 |
0.322 |
|
2012 |
Purohit MK, Poduch E, Wei LW, Crandall IE, To T, Kain KC, Pai EF, Kotra LP. Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist. Journal of Medicinal Chemistry. 55: 9988-97. PMID 22991951 DOI: 10.1021/Jm301176R |
0.352 |
|
2012 |
Ishikita H, Eger BT, Okamoto K, Nishino T, Pai EF. Protein conformational gating of enzymatic activity in xanthine oxidoreductase. Journal of the American Chemical Society. 134: 999-1009. PMID 22145797 DOI: 10.1021/Ja207173P |
0.38 |
|
2011 |
Khan S, Mian HS, Sandercock LE, Chirgadze NY, Pai EF. Crystal structure of the passenger domain of the Escherichia coli autotransporter EspP. Journal of Molecular Biology. 413: 985-1000. PMID 21964244 DOI: 10.1016/J.Jmb.2011.09.028 |
0.62 |
|
2011 |
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, et al. Activators of cylindrical proteases as antimicrobials: identification and development of small molecule activators of ClpP protease. Chemistry & Biology. 18: 1167-78. PMID 21944755 DOI: 10.1016/J.Chembiol.2011.07.023 |
0.316 |
|
2011 |
Julien O, Chatterjee S, Bjorndahl TC, Sweeting B, Acharya S, Semenchenko V, Chakrabartty A, Pai EF, Wishart DS, Sykes BD, Cashman NR. 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. Biochemistry. 50: 7536-45. PMID 21800884 DOI: 10.1021/Bi200731E |
0.765 |
|
2011 |
Kisselman G, Qiu W, Romanov V, Thompson CM, Lam R, Battaile KP, Pai EF, Chirgadze NY. X-CHIP: an integrated platform for high-throughput protein crystallization and on-the-chip X-ray diffraction data collection. Acta Crystallographica. Section D, Biological Crystallography. 67: 533-9. PMID 21636893 DOI: 10.1107/S0907444911011589 |
0.301 |
|
2011 |
Clarke TE, Romanov V, Chirgadze YN, Klomsiri C, Kisselman G, Wu-Brown J, Poole LB, Pai EF, Chirgadze NY. Crystal structure of alkyl hydroperoxidase D like protein PA0269 from Pseudomonas aeruginosa: homology of the AhpD-like structural family. Bmc Structural Biology. 11: 27. PMID 21615954 DOI: 10.1186/1472-6807-11-27 |
0.369 |
|
2011 |
Chan PW, Yakunin AF, Edwards EA, Pai EF. Mapping the reaction coordinates of enzymatic defluorination. Journal of the American Chemical Society. 133: 7461-8. PMID 21510690 DOI: 10.1021/Ja200277D |
0.345 |
|
2011 |
Lewis M, Meza-Avina ME, Wei L, Crandall IE, Bello AM, Poduch E, Liu Y, Paige CJ, Kain KC, Pai EF, Kotra LP. Novel interactions of fluorinated nucleotide derivatives targeting orotidine 5'-monophosphate decarboxylase. Journal of Medicinal Chemistry. 54: 2891-901. PMID 21417464 DOI: 10.1021/Jm101642G |
0.329 |
|
2011 |
Choe HW, Kim YJ, Park JH, Morizumi T, Pai EF, Krauss N, Hofmann KP, Scheerer P, Ernst OP. Crystal structure of metarhodopsin II. Nature. 471: 651-5. PMID 21389988 DOI: 10.1038/Nature09789 |
0.363 |
|
2011 |
Kanjee U, Gutsche I, Alexopoulos E, Zhao B, El Bakkouri M, Thibault G, Liu K, Ramachandran S, Snider J, Pai EF, Houry WA. Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase. The Embo Journal. 30: 931-44. PMID 21278708 DOI: 10.1038/Emboj.2011.5 |
0.313 |
|
2010 |
Okamoto K, Kawaguchi Y, Eger BT, Pai EF, Nishino T. Crystal structures of urate bound form of xanthine oxidoreductase: substrate orientation and structure of the key reaction intermediate. Journal of the American Chemical Society. 132: 17080-3. PMID 21077683 DOI: 10.1021/Ja1077574 |
0.401 |
|
2010 |
Khan MQ, Sweeting B, Mulligan VK, Arslan PE, Cashman NR, Pai EF, Chakrabartty A. Prion disease susceptibility is affected by beta-structure folding propensity and local side-chain interactions in PrP. Proceedings of the National Academy of Sciences of the United States of America. 107: 19808-13. PMID 21041683 DOI: 10.1073/Pnas.1005267107 |
0.766 |
|
2010 |
Lam R, Romanov V, Johns K, Battaile KP, Wu-Brown J, Guthrie JL, Hausinger RP, Pai EF, Chirgadze NY. Crystal structure of a truncated urease accessory protein UreF from Helicobacter pylori. Proteins. 78: 2839-48. PMID 20635345 DOI: 10.1002/Prot.22802 |
0.391 |
|
2010 |
Nachman J, Gish G, Virag C, Pawson T, Pomès R, Pai E. Conformational determinants of phosphotyrosine peptides complexed with the Src SH2 domain. Plos One. 5: e11215. PMID 20574521 DOI: 10.1371/Journal.Pone.0011215 |
0.368 |
|
2010 |
Sweeting B, Khan MQ, Chakrabartty A, Pai EF. Structural factors underlying the species barrier and susceptibility to infection in prion disease. Biochemistry and Cell Biology = Biochimie Et Biologie Cellulaire. 88: 195-202. PMID 20453922 DOI: 10.1139/o09-172 |
0.748 |
|
2010 |
Meza-Avina ME, Wei L, Liu Y, Poduch E, Bello AM, Mishra RK, Pai EF, Kotra LP. Structural determinants for the inhibitory ligands of orotidine-5'-monophosphate decarboxylase. Bioorganic & Medicinal Chemistry. 18: 4032-41. PMID 20452222 DOI: 10.1016/J.Bmc.2010.04.017 |
0.348 |
|
2010 |
Chakrabarti N, Neale C, Payandeh J, Pai EF, Pomès R. An iris-like mechanism of pore dilation in the CorA magnesium transport system. Biophysical Journal. 98: 784-92. PMID 20197031 DOI: 10.1016/J.Bpj.2009.11.009 |
0.329 |
|
2010 |
Julien JP, Huarte N, Maeso R, Taneva SG, Cunningham A, Nieva JL, Pai EF. Ablation of the complementarity-determining region H3 apex of the anti-HIV-1 broadly neutralizing antibody 2F5 abrogates neutralizing capacity without affecting core epitope binding. Journal of Virology. 84: 4136-47. PMID 20147404 DOI: 10.1128/Jvi.02357-09 |
0.319 |
|
2010 |
Kuo KH, Khan S, Brnjac E, Pai EF, Chesney AE. EspP, An Extracellular Serine Protease From Enterohemorrhagic E. Coli, Induces Coagulopathy In Human Whole Blood and Plasma Blood. 116: 4416-4416. DOI: 10.1182/Blood.V116.21.4416.4416 |
0.549 |
|
2009 |
de la Arada I, Julien JP, de la Torre BG, Huarte N, Andreu D, Pai EF, Arrondo JL, Nieva JL. Structural constraints imposed by the conserved fusion peptide on the HIV-1 gp41 epitope recognized by the broadly neutralizing antibody 2F5. The Journal of Physical Chemistry. B. 113: 13626-37. PMID 19754136 DOI: 10.1021/Jp905965H |
0.342 |
|
2009 |
Bello AM, Konforte D, Poduch E, Furlonger C, Wei L, Liu Y, Lewis M, Pai EF, Paige CJ, Kotra LP. Structure-activity relationships of orotidine-5'-monophosphate decarboxylase inhibitors as anticancer agents. Journal of Medicinal Chemistry. 52: 1648-58. PMID 19260677 DOI: 10.1021/Jm801224T |
0.32 |
|
2009 |
Fujihashi M, Wei L, Kotra LP, Pai EF. Structural characterization of the molecular events during a slow substrate-product transition in orotidine 5'-monophosphate decarboxylase. Journal of Molecular Biology. 387: 1199-210. PMID 19236876 DOI: 10.1016/J.Jmb.2009.02.037 |
0.397 |
|
2008 |
Julien JP, Bryson S, Nieva JL, Pai EF. Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site. Journal of Molecular Biology. 384: 377-92. PMID 18824005 DOI: 10.1016/J.Jmb.2008.09.024 |
0.316 |
|
2008 |
Alexopoulos E, Kanjee U, Snider J, Houry WA, Pai EF. Crystallization and preliminary X-ray analysis of the inducible lysine decarboxylase from Escherichia coli. Acta Crystallographica. Section F, Structural Biology and Crystallization Communications. 64: 700-6. PMID 18678936 DOI: 10.1107/S1744309108018757 |
0.33 |
|
2008 |
Payandeh J, Li C, Ramjeesingh M, Poduch E, Bear CE, Pai EF. Probing structure-function relationships and gating mechanisms in the CorA Mg2+ transport system. The Journal of Biological Chemistry. 283: 11721-33. PMID 18276588 DOI: 10.1074/Jbc.M707889200 |
0.352 |
|
2008 |
Poduch E, Wei L, Pai EF, Kotra LP. Structural diversity and plasticity associated with nucleotides targeting orotidine monophosphate decarboxylase. Journal of Medicinal Chemistry. 51: 432-8. PMID 18181562 DOI: 10.1021/Jm700968X |
0.338 |
|
2007 |
Sahai MA, Viskolcz B, Pai EF, Csizmadia IG. Quantifying the intrinsic effects of two point mutation models of pro-pro-pro triamino acid diamide. A first-principle computational study. The Journal of Physical Chemistry. B. 111: 13135-42. PMID 17949073 DOI: 10.1021/jp074046r |
0.726 |
|
2007 |
Sahai MA, Viskolcz B, Pai EF, Csizmadia IG. Quantifying the intrinsic effects of two point mutation models of proline-proline diamino acid diamide: a first-principle computational study. The Journal of Physical Chemistry. B. 111: 11592-602. PMID 17824687 DOI: 10.1021/Jp073471H |
0.738 |
|
2007 |
Sahai MA, Szöri M, Viskolcz B, Pai EF, Csizmadia IG. Transition state infrared spectra for the trans-->cis isomerization of a simple peptide model. The Journal of Physical Chemistry. A. 111: 8384-9. PMID 17685601 DOI: 10.1021/Jp074991F |
0.712 |
|
2007 |
Asai R, Nishino T, Matsumura T, Okamoto K, Igarashi K, Pai EF, Nishino T. Two mutations convert mammalian xanthine oxidoreductase to highly superoxide-productive xanthine oxidase. Journal of Biochemistry. 141: 525-34. PMID 17301076 DOI: 10.1093/Jb/Mvm054 |
0.388 |
|
2007 |
Bello AM, Poduch E, Fujihashi M, Amani M, Li Y, Crandall I, Hui R, Lee PI, Kain KC, Pai EF, Kotra LP. A potent, covalent inhibitor of orotidine 5'-monophosphate decarboxylase with antimalarial activity. Journal of Medicinal Chemistry. 50: 915-21. PMID 17290979 DOI: 10.1021/Jm060827P |
0.347 |
|
2007 |
Garces RG, Gillon W, Pai EF. Atomic model of human Rcd-1 reveals an armadillo-like-repeat protein with in vitro nucleic acid binding properties. Protein Science : a Publication of the Protein Society. 16: 176-88. PMID 17189474 DOI: 10.1110/Ps.062600507 |
0.371 |
|
2006 |
Sahai MA, Fejer SN, Viskolcz B, Pai EF, Csizmadia IG. First-principle computational study on the full conformational space of L-threonine diamide, the energetic stability of cis and trans isomers. The Journal of Physical Chemistry. A. 110: 11527-36. PMID 17020266 DOI: 10.1021/Jp0680488 |
0.736 |
|
2006 |
Payandeh J, Pai EF. A structural basis for Mg2+ homeostasis and the CorA translocation cycle. The Embo Journal. 25: 3762-73. PMID 16902408 DOI: 10.1038/Sj.Emboj.7601269 |
0.334 |
|
2006 |
Payandeh J, Pai EF. Crystallization and preliminary X-ray diffraction analysis of the magnesium transporter CorA. Acta Crystallographica. Section F, Structural Biology and Crystallization Communications. 62: 148-52. PMID 16511288 DOI: 10.1107/S1744309106000996 |
0.323 |
|
2006 |
Payandeh J, Fujihashi M, Gillon W, Pai EF. The crystal structure of (S)-3-O-geranylgeranylglyceryl phosphate synthase reveals an ancient fold for an ancient enzyme. The Journal of Biological Chemistry. 281: 6070-8. PMID 16377641 DOI: 10.1074/Jbc.M509377200 |
0.399 |
|
2005 |
Sahai MA, Kehoe TA, Koo JC, Setiadi DH, Chass GA, Viskolcz B, Penke B, Pai EF, Csizmadia IG. First principle computational study on the full conformational space of L-proline diamides. The Journal of Physical Chemistry. A. 109: 2660-79. PMID 16833573 DOI: 10.1021/Jp040594I |
0.732 |
|
2005 |
Ledwidge R, Patel B, Dong A, Fiedler D, Falkowski M, Zelikova J, Summers AO, Pai EF, Miller SM. NmerA, the metal binding domain of mercuric ion reductase, removes Hg2+ from proteins, delivers it to the catalytic core, and protects cells under glutathione-depleted conditions. Biochemistry. 44: 11402-16. PMID 16114877 DOI: 10.1021/Bi050519D |
0.327 |
|
2005 |
Nishino T, Okamoto K, Kawaguchi Y, Hori H, Matsumura T, Eger BT, Pai EF, Nishino T. Mechanism of the conversion of xanthine dehydrogenase to xanthine oxidase: identification of the two cysteine disulfide bonds and crystal structure of a non-convertible rat liver xanthine dehydrogenase mutant. The Journal of Biological Chemistry. 280: 24888-94. PMID 15878860 DOI: 10.1074/Jbc.M501830200 |
0.343 |
|
2005 |
Shinoda T, Arai K, Shigematsu-Iida M, Ishikura Y, Tanaka S, Yamada T, Kimber MS, Pai EF, Fushinobu S, Taguchi H. Distinct conformation-mediated functions of an active site loop in the catalytic reactions of NAD-dependent D-lactate dehydrogenase and formate dehydrogenase. The Journal of Biological Chemistry. 280: 17068-75. PMID 15734738 DOI: 10.1074/jbc.M500970200 |
0.68 |
|
2005 |
Scheffzek K, Kabsch W, Schlichting I, Pai EF, Lautwein A, Frech M, Wittinghoffer A, Goody RS. Crystallization and preliminary X-ray structure analysis of thermally unstable p21(H-ras) guanosine complexes. Acta Crystallographica. Section D, Biological Crystallography. 50: 521-6. PMID 15299413 DOI: 10.1107/S0907444994001253 |
0.37 |
|
2005 |
Scheidig AJ, Sanchez-Llorente A, Lautwein A, Pai EF, Corrie JE, Reid GP, Wittinghofer A, Goody RS. Crystallographic studies on p21(H-ras) using the synchrotron Laue method: improvement of crystal quality and monitoring of the GTPase reaction at different time points. Acta Crystallographica. Section D, Biological Crystallography. 50: 512-20. PMID 15299412 DOI: 10.1107/S090744499301443X |
0.341 |
|
2004 |
Okamoto K, Matsumoto K, Hille R, Eger BT, Pai EF, Nishino T. The crystal structure of xanthine oxidoreductase during catalysis: implications for reaction mechanism and enzyme inhibition. Proceedings of the National Academy of Sciences of the United States of America. 101: 7931-6. PMID 15148401 DOI: 10.1073/Pnas.0400973101 |
0.353 |
|
2004 |
Garces RG, Wu N, Gillon W, Pai EF. Anabaena circadian clock proteins KaiA and KaiB reveal a potential common binding site to their partner KaiC. The Embo Journal. 23: 1688-98. PMID 15071498 DOI: 10.1038/Sj.Emboj.7600190 |
0.404 |
|
2004 |
Okamoto K, Matsumoto K, Yamaguchi Y, Matsumura T, Hille R, Eger B, Pai EF, Nishino T. 3SC54 Intermediate structure and hydroxylation mechanism of xanthine oxidoreductase Seibutsu Butsuri. 44: S28. DOI: 10.2142/Biophys.44.S28_4 |
0.313 |
|
2003 |
Lalor DJ, Schnyder T, Saridakis V, Pilloff DE, Dong A, Tang H, Leyh TS, Pai EF. Structural and functional analysis of a truncated form of Saccharomyces cerevisiae ATP sulfurylase: C-terminal domain essential for oligomer formation but not for activity. Protein Engineering. 16: 1071-9. PMID 14983089 DOI: 10.1093/protein/gzg133 |
0.709 |
|
2003 |
Kuwabara Y, Nishino T, Okamoto K, Matsumura T, Eger BT, Pai EF, Nishino T. Unique amino acids cluster for switching from the dehydrogenase to oxidase form of xanthine oxidoreductase. Proceedings of the National Academy of Sciences of the United States of America. 100: 8170-5. PMID 12817083 DOI: 10.1073/Pnas.1431485100 |
0.375 |
|
2003 |
Saridakis V, Pai EF. Mutational, structural, and kinetic studies of the ATP-binding site of Methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase. The Journal of Biological Chemistry. 278: 34356-63. PMID 12810729 DOI: 10.1074/jbc.M205369200 |
0.73 |
|
2003 |
Sahai MA, Setiadi DH, Chass GA, Pai EF, Penke B, Csizmadia IG. A model study of the IgA hinge region: An exploratory study of selected backbone conformations of MeCO-L-Pro-L-Thr-NH-Me Journal of Molecular Structure: Theochem. 666: 311-319. DOI: 10.1016/J.Theochem.2003.08.036 |
0.725 |
|
2003 |
Sahai MA, Motiwala SS, Chass GA, Pai EF, Penke B, Csizmadia IG. An ab initio exploratory study of the full conformational space of MeCO-L-threonine-NH-Me Journal of Molecular Structure: Theochem. 666: 251-267. DOI: 10.1016/J.Theochem.2003.08.031 |
0.738 |
|
2002 |
Saridakis V, Christendat D, Thygesen A, Arrowsmith CH, Edwards AM, Pai EF. Crystal structure of Methanobacterium thermoautotrophicum conserved protein MTH1020 reveals an NTN-hydrolase fold. Proteins. 48: 141-3. PMID 12012346 DOI: 10.1002/Prot.10147 |
0.731 |
|
2002 |
Wu N, Gillon W, Pai EF. Mapping the active site-ligand interactions of orotidine 5'-monophosphate decarboxylase by crystallography. Biochemistry. 41: 4002-11. PMID 11900543 DOI: 10.1021/Bi015758P |
0.389 |
|
2001 |
Saridakis V, Christendat D, Kimber MS, Dharamsi A, Edwards AM, Pai EF. Insights into ligand binding and catalysis of a central step in NAD+ synthesis: structures of Methanobacterium thermoautotrophicum NMN adenylyltransferase complexes. The Journal of Biological Chemistry. 276: 7225-32. PMID 11063748 DOI: 10.1074/Jbc.M008810200 |
0.79 |
|
2000 |
Eger BT, Okamoto K, Enroth C, Sato M, Nishino T, Pai EF. Purification, crystallization and preliminary X-ray diffraction studies of xanthine dehydrogenase and xanthine oxidase isolated from bovine milk Acta Crystallographica Section D: Biological Crystallography. 56: 1656-1658. PMID 11092937 DOI: 10.1107/S0907444900012890 |
0.327 |
|
2000 |
Christendat D, Yee A, Dharamsi A, Kluger Y, Savchenko A, Cort JR, Booth V, Mackereth CD, Saridakis V, Ekiel I, Kozlov G, Maxwell KL, Wu N, McIntosh LP, Gehring K, ... ... Pai EF, et al. Structural proteomics of an archaeon. Nature Structural Biology. 7: 903-9. PMID 11017201 DOI: 10.1038/82823 |
0.715 |
|
2000 |
Enroth C, Eger BT, Okamoto K, Nishino T, Pai EF. Crystal structures of bovinemilk xanthine dehydrogenase and xanthine oxidase: Structure-based mechanism of conversion Proceedings of the National Academy of Sciences of the United States of America. 97: 10723-10728. PMID 11005854 DOI: 10.1073/Pnas.97.20.10723 |
0.423 |
|
2000 |
Kimber MS, Coleman JR, Pai EF. beta-carbonic anhydrase from Pisum sativum: crystallization and preliminary X-ray analysis. Acta Crystallographica. Section D, Biological Crystallography. 56: 927-9. PMID 10930848 DOI: 10.1107/S0907444900006545 |
0.651 |
|
2000 |
Wu N, Christendat D, Dharamsi A, Pai EF. Purification, crystallization and preliminary X-ray study of orotidine 5'-monophosphate decarboxylase Acta Crystallographica Section D: Biological Crystallography. 56: 912-914. PMID 10930842 DOI: 10.1107/S090744490000576X |
0.31 |
|
2000 |
Kimber MS, Nachman J, Cunningham AM, Gish GD, Pawson T, Pai EF. Structural basis for specificity switching of the Src SH2 domain. Molecular Cell. 5: 1043-9. PMID 10911998 DOI: 10.1016/S1097-2765(00)80269-5 |
0.683 |
|
2000 |
Cao QNA, Stubbs M, Ngo KQP, Ward M, Cunningham A, Pai EF, Tu GC, Hofmann T. Penicillopepsin-JT2, a recombinant enzyme from Penicillium janthinellum and the contribution of a hydrogen bond in subsite S3 to k(cat) Protein Science. 9: 991-1001. PMID 10850809 DOI: 10.1110/Ps.9.5.991 |
0.345 |
|
2000 |
Christendat D, Saridakis V, Dharamsi A, Bochkarev A, Pai EF, Arrowsmith CH, Edwards AM. Crystal structure of dTDP-4-keto-6-deoxy-D-hexulose 3,5-epimerase from Methanobacterium thermoautotrophicum complexed with dTDP Journal of Biological Chemistry. 275: 24608-24612. PMID 10827167 DOI: 10.1074/Jbc.C000238200 |
0.754 |
|
2000 |
Kimber MS, Pai EF. The active site architecture of Pisum sativum beta-carbonic anhydrase is a mirror image of that of alpha-carbonic anhydrases. The Embo Journal. 19: 1407-18. PMID 10747009 DOI: 10.1093/Emboj/19.7.1407 |
0.666 |
|
2000 |
Wu N, Mo Y, Gao J, Pai EF. Electrostatic stress in catalysis: Structure and mechanism of the enzyme orotidine monophosphate decarboxylase Proceedings of the National Academy of Sciences of the United States of America. 97: 2017-2022. PMID 10681441 DOI: 10.1073/Pnas.050417797 |
0.431 |
|
1998 |
Stoll VS, Manohar AV, Gillon W, MacFarlane EL, Hynes RC, Pai EF. A thioredoxin fusion protein of VanH, a D-lactate dehydrogenase from Enterococcus faecium: cloning, expression, purification, kinetic analysis, and crystallization. Protein Science : a Publication of the Protein Society. 7: 1147-55. PMID 9605319 DOI: 10.1002/Pro.5560070508 |
0.357 |
|
1998 |
Pai EF. The alpha and beta of turning on a molecular switch Nature Structural Biology. 5: 259-263. PMID 9546212 DOI: 10.1038/Nsb0498-259 |
0.306 |
|
1998 |
Stoll VS, Eger BT, Hynes RC, Martichonok V, Jones JB, Pai EF. Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: Crystal structures of γ-chymotrypsin and subtilisin Carlsberg complexes Biochemistry. 37: 451-462. PMID 9425066 DOI: 10.1021/Bi971166O |
0.371 |
|
1997 |
Sliz P, Engelmann R, Hengstenberg W, Pai EF. The structure of enzyme IIAlactose from Lactococcus lactis reveals a new fold and points to possible interactions of a multicomponent system. Structure (London, England : 1993). 5: 775-88. PMID 9261069 DOI: 10.1016/S0969-2126(97)00232-3 |
0.677 |
|
1997 |
Stoll VS, Simpson SJ, Krauth-Siegel RL, Walsh CT, Pai EF. Glutathione reductase turned into trypanothione reductase: Structural analysis of an engineered change in substrate specificity Biochemistry. 36: 6437-6447. PMID 9174360 DOI: 10.1021/bi963074p |
0.307 |
|
1996 |
Sliz P, Schörter KH, De Vos WM, Pai EF. Crystallization and preliminary structural studies of lactose-specific enzyme IIA from Lactococcus lactis. Acta Crystallographica. Section D, Biological Crystallography. 52: 1199-201. PMID 15299586 DOI: 10.1107/S0907444996005926 |
0.628 |
|
1996 |
Chook YM, Gish GD, Kay CM, Pai EF, Pawson T. The Grb2-mSos1 complex binds phosphopeptides with higher affinity than Grb2. The Journal of Biological Chemistry. 271: 30472-8. PMID 8940013 DOI: 10.1074/Jbc.271.48.30472 |
0.304 |
|
1996 |
Stoll VS, Kimber MS, Pai EF. Insights into substrate binding by D-2-ketoacid dehydrogenases from the structure of Lactobacillus pentosus D-lactate dehydrogenase. Structure (London, England : 1993). 4: 437-47. PMID 8740366 DOI: 10.1016/S0969-2126(96)00049-4 |
0.696 |
|
1996 |
Pai EF. Familiar jaws with new twists Nature Structural Biology. 3: 307-309. PMID 8599751 DOI: 10.1038/Nsb0496-307 |
0.367 |
|
1995 |
Stoll VS, Kimber MS, MacFarlane EL, Eikmanns U, Taguchi H, Pai EF. Crystallization of the apo-forms of the d-lactate dehydrogenases from Lactobacillus pentosum and Leuconostoc mesenteroides Protein and Peptide Letters. 2: 435-440. |
0.62 |
|
1994 |
Lantwin CB, Schlichting I, Kabsch W, Pai EF, Krauth-Siegel RL. The structure of Trypanosoma cruzi trypanothione reductase in the oxidized and NADPH reduced state Proteins: Structure, Function and Genetics. 18: 161-173. PMID 8159665 DOI: 10.1002/Prot.340180208 |
0.426 |
|
1994 |
Eikmanns U, Buta C, Buckel W, Pai EF. Crystallization and preliminary X-ray diffraction study of the green flavoenzyme 5-hydroxyvaleryl-CoA dehydratase/dehydrogenase from Clostridium aminovalericum Proteins: Structure, Function and Genetics. 19: 269-271. PMID 7937739 DOI: 10.1002/Prot.340190310 |
0.317 |
|
1994 |
Eikmanns U, Buckel W, Pai EF. Crystallization and preliminary X-ray diffraction study of the flavoenzyme 2,4-pentadienoyl-CoA reductase from Clostridium aminovalericum Acta Crystallographica Section D: Biological Crystallography. 50: 913-914. DOI: 10.1107/S0907444994006384 |
0.308 |
|
1993 |
Krauth-Siegel RL, Sticherling C, Jöst I, Walsh CT, Pai EF, Kabsch W, Lantwin CB. Crystallization and preliminary crystallographic analysis of trypanothione reductase from Trypanosoma cruzi, the causative agent of Chagas' disease Febs Letters. 317: 105-108. PMID 8428618 DOI: 10.1016/0014-5793(93)81501-P |
0.329 |
|
1993 |
Franken SM, Scheidig AJ, Krengel U, Rensland H, Lautwein A, Geyer M, Scheffzek K, Goody RS, Kalbitzer HR, Pai EF. Three-dimensional structures and properties of a transforming and a nontransforming glycine-12 mutant of p21H-ras. Biochemistry. 32: 8411-20. PMID 8357792 DOI: 10.1021/Bi00084A005 |
0.38 |
|
1992 |
Wittinghofer A, Pai EF. The structure of Ras protein: a model for a universal molecular switch. Trends in Biochemical Sciences. 16: 382-7. PMID 1785141 DOI: 10.1016/0968-0004(91)90156-P |
0.381 |
|
1991 |
Valencia A, Kjeldgaard M, Pai EF, Sander C. GTPase domains of ras p21 oncogene protein and elongation factor Tu: analysis of three-dimensional structures, sequence families, and functional sites. Proceedings of the National Academy of Sciences of the United States of America. 88: 5443-7. PMID 2052624 DOI: 10.1073/Pnas.88.12.5443 |
0.393 |
|
1991 |
Wittinghofer F, Krengel U, John J, Kabsch W, Pai EF. Three-dimensional structure of p21 in the active conformation and analysis of an oncogenic mutant Environmental Health Perspectives. 93: 11-15. PMID 1773783 DOI: 10.1289/Ehp.919311 |
0.382 |
|
1991 |
Pai EF. p21 and other guanine-nucleotide-interacting proteins Current Opinion in Structural Biology. 1: 941-945. DOI: 10.1016/0959-440X(91)90089-C |
0.383 |
|
1989 |
Karplus PA, Pai EF, Schulz GE. A crystallographic study of the glutathione binding site of glutathione reductase at 0.3-nm resolution European Journal of Biochemistry. 178: 693-703. PMID 2912729 DOI: 10.1111/J.1432-1033.1989.Tb14500.X |
0.679 |
|
1988 |
Pai EF, Karplus PA, Schulz GE. Crystallographic analysis of the binding of NADPH, NADPH fragments, and NADPH analogues to glutathione reductase Biochemistry®. 27: 4465-4474. PMID 2844232 |
0.665 |
|
1985 |
Pai EF, Horn E, Schulz GE. The coenzyme binding site of glutathione reductase — Correlation of X-ray studies with kinetic data Fresenius' Zeitschrift FüR Analytische Chemie. 321: 644-644. DOI: 10.1007/Bf00489622 |
0.474 |
|
1983 |
Pai EF, Schulz GE. The catalytic mechanism of glutathione reductase as derived from x-ray diffraction analyses of reaction intermediates Journal of Biological Chemistry. 258: 1752-1757. PMID 6822532 |
0.546 |
|
1983 |
Pai EF, Schulz GE, Tomasselli AG, Noda LH. Preliminary X-ray studies on the GTP: AMP phosphotransferase from beef heart mitochondria Journal of Molecular Biology. 164: 347-350. PMID 6302274 DOI: 10.1016/0022-2836(83)90081-5 |
0.45 |
|
1982 |
Schulz GE, Schirmer RH, Pai EF. FAD-binding site of glutathione reductase Journal of Molecular Biology. 160: 287-308. PMID 7175934 DOI: 10.1016/0022-2836(82)90177-2 |
0.539 |
|
1981 |
Thieme R, Pai EF, Schirmer RH, Schulz GE. Three-dimensional structure of glutathione reductase at 2 Å resolution Journal of Molecular Biology. 152: 763-782. PMID 7334521 DOI: 10.1016/0022-2836(81)90126-1 |
0.542 |
|
1978 |
Schulz GE, Schirmer RH, Sachsenheimer W, Pai EF. The structure of the flavoenzyme glutathione reductase Nature. 273: 120-124. PMID 25387 DOI: 10.1038/273120A0 |
0.508 |
|
1977 |
Pai EF, Sachsenheimer W, Schirmer RH, Schulz GE. Substrate positions and induced-fit in crystalline adenylate kinase Journal of Molecular Biology. 114: 37-45. PMID 198550 DOI: 10.1016/0022-2836(77)90281-9 |
0.526 |
|
1977 |
Sachsenheimer W, Pai EF, Schulz GE, Schirmer RH. Halothane binds in the adenine-specific niche of crystalline adenylate kinase Febs Letters. 79: 310-312. PMID 196916 DOI: 10.1016/0014-5793(77)80809-0 |
0.453 |
|
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