Author results

5AGS
  • Download 5ags
  • View 5ags
Molmil generated image of 5ags
CRYSTAL STRUCTURE OF THE LEURS EDITING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THE ADDUCT 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-AMP
Descriptor:LEUCYL-TRNA SYNTHETASE, METHIONINE, 3-(AMINOMETHYL)-4-BROMO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-MODIFIED ADENOSINE
Authors:Palencia, A., Li, X., Alley, M.R.K., Ding, C., Easom, E.E., Hernandez, V., Meewan, M., Mohan, M., Rock, F.L., Franzblau, S.G., Wang, Y., Lenaerts, A.J., Parish, T., Cooper, C.B., Waters, M.G., Ma, Z., Mendoza, A., Barros, D., Cusack, S., Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-09
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGR
  • Download 5agr
  • View 5agr
Molmil generated image of 5agr
CRYSTAL STRUCTURE OF THE LEURS EDITING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THE ADDUCT (S)-3-(AMINOMETHYL)-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-AMP
Descriptor:LEUCINE--TRNA LIGASE, METHIONINE, LEUCINE, ...
Authors:Palencia, A., Li, X., Alley, M.R.K., Ding, C., Easom, E.E., Hernandez, V., Meewan, M., Mohan, M., Rock, F.L., Franzblau, S.G., Wang, Y., Lenaerts, A.J., Parish, T., Cooper, C.B., Waters, M.G., Ma, Z., Mendoza, A., Barros, D., Cusack, S., Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5AGT
  • Download 5agt
  • View 5agt
Molmil generated image of 5agt
CRYSTAL STRUCTURE OF THE LEURS EDITING DOMAIN OF MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH THE ADDUCT (S)-3-(AMINOMETHYL)-4-CHLORO-7-ETHOXYBENZO[C][1,2]OXABOROL-1(3H)-OL-AMP
Descriptor:LEUCINE--TRNA LIGASE, METHIONINE, 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, ...
Authors:Palencia, A., Li, X., Alley, M.R.K., Ding, C., Easom, E.E., Hernandez, V., Meewan, M., Mohan, M., Rock, F.L., Franzblau, S.G., Wang, Y., Lenaerts, A.J., Parish, T., Cooper, C.B., Waters, M.G., Ma, Z., Mendoza, A., Barros, D., Cusack, S., Plattner, J.J.
Deposit date:2015-02-03
Release date:2016-03-02
Last modified:2016-10-05
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of Novel Oral Protein Synthesis Inhibitors of Mycobacterium Tuberculosis that Target Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
4D6V
  • Download 4d6v
  • View 4d6v
Molmil generated image of 4d6v
CRYSTAL STRUCTURE OF SIGNAL TRANSDUCING PROTEIN
Descriptor:G PROTEIN BETA SUBUNIT GIB2
Authors:Ero, R., Dimitrova, V.T., Chen, Y., Bu, W., Feng, S., Liu, T., Wang, P., Xue, C., Tan, S.M., Gao, Y.G.
Deposit date:2014-11-17
Release date:2015-03-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Gib2, a Signal-Transducing Protein Scaffold Associated with Ribosomes in Cryptococcus Neoformans.
Sci.Rep., 5, 2015
4MGJ
  • Download 4mgj
  • View 4mgj
Molmil generated image of 4mgj
CRYSTAL STRUCTURE OF CYTOCHROME P450 2B4 F429H IN COMPLEX WITH 4-CPI
Descriptor:Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, 4-(4-CHLOROPHENYL)IMIDAZOLE
Authors:Yang, Y., Zhang, H., Usharani, D., Bu, W., Im, S., Tarasev, M., Rwere, F., Meagher, J., Sun, C., Stuckey, J., Shaik, S., Waskell, L.
Deposit date:2013-08-28
Release date:2014-08-13
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural and Functional Characterization of a Cytochrome P450 2B4 F429H Mutant with an Axial Thiolate-Histidine Hydrogen Bond.
Biochemistry, 53, 2014
4L6Q
  • Download 4l6q
  • View 4l6q
Molmil generated image of 4l6q
ROCK2 IN COMPLEX WITH BENZOXABOROLE
Descriptor:Rho-associated protein kinase 2, 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol
Authors:Rock, F., Jarnagin, K.
Deposit date:2013-06-12
Release date:2013-10-02
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Linking phenotype to kinase: identification of a novel benzoxaborole hinge-binding motif for kinase inhibition and development of high-potency rho kinase inhibitors.
J.Pharmacol.Exp.Ther., 347, 2013
3ZJT
  • Download 3zjt
  • View 3zjt
Molmil generated image of 3zjt
TERNARY COMPLEX OF E.COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU)574 AND THE BENZOXABOROLE AN3017 IN THE EDITING CONFORMATION
Descriptor:LEUCYL-TRNA SYNTHETASE, TRNALEU5 UAA ISOACCEPTOR, MAGNESIUM ION
Authors:Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJU
  • Download 3zju
  • View 3zju
Molmil generated image of 3zju
TERNARY COMPLEX OF E .COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU) AND THE BENZOXABOROLE AN3016 IN THE EDITING CONFORMATION
Descriptor:LEUCYL-TRNA SYNTHETASE, TRNALEU5 UAA ISOACCEPTOR, MAGNESIUM ION
Authors:Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3ZJV
  • Download 3zjv
  • View 3zjv
Molmil generated image of 3zjv
TERNARY COMPLEX OF E .COLI LEUCYL-TRNA SYNTHETASE, TRNA(LEU) AND THE BENZOXABOROLE AN3213 IN THE EDITING CONFORMATION
Descriptor:LEUCINE--TRNA LIGASE, TRNALEU5 UAA ISOACCEPTOR
Authors:Cusack, S., Palencia, A., Crepin, T., Hernandez, V., Akama, T., Baker, S.J., Bu, W., Feng, L., Freund, Y.R., Liu, L., Meewan, M., Mohan, M., Mao, W., Rock, F.L., Sexton, H., Sheoran, A., Zhang, Y., Zhang, Y., Zhou, Y., Nieman, J.A., Anugula, M.R., Keramane, E.M., Savariraj, K., Reddy, D.S., Sharma, R., Subedi, R., Singh, R., OLeary, A., Simon, N.L., DeMarsh, P.L., Mushtaq, S., Warner, M., Livermore, D.M., Alley, M.R.K., Plattner, J.J.
Deposit date:2013-01-18
Release date:2013-04-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Discovery of a Novel Class of Boron-Based Antibacterials with Activity Against Gram-Negative Bacteria.
Antimicrob.Agents Chemother., 57, 2013
3U90
  • Download 3u90
  • View 3u90
Molmil generated image of 3u90
APOFERRITIN: COMPLEX WITH SDS
Descriptor:Ferritin light chain, DODECYL SULFATE, CADMIUM ION
Authors:Liu, R., Bu, W., Xi, J., Mortazavi, S.R., Cheung-Lau, J.C., Dmochowski, I.J., Loll, P.J.
Deposit date:2011-10-17
Release date:2012-04-25
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Beyond the detergent effect: a binding site for sodium dodecyl sulfate (SDS) in mammalian apoferritin.
Acta Crystallogr.,Sect.D, 68, 2012
4DE6
  • Download 4de6
  • View 4de6
Molmil generated image of 4de6
HORSE SPLEEN APO-FERRITIN COMPLEX WITH ARACHIDONIC ACID
Descriptor:Ferritin light chain, ARACHIDONIC ACID, CADMIUM ION, ...
Authors:Bu, W., Liu, R., Dmochowski, I.J., Loll, P.J., Eckenhoff, R.G.
Deposit date:2012-01-19
Release date:2012-03-07
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Ferritin couples iron and fatty acid metabolism.
Faseb J., 26, 2012
3KU4
  • Download 3ku4
  • View 3ku4
Molmil generated image of 3ku4
TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS
Descriptor:Uridine phosphorylase, SULFATE ION
Authors:Paul, D., O'Leary, S., Rajashankar, K., Bu, W., Toms, A., Settembre, E., Sanders, J., Begley, T.P., Ealick, S.E.
Deposit date:2009-11-26
Release date:2010-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KUK
  • Download 3kuk
  • View 3kuk
Molmil generated image of 3kuk
TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS
Descriptor:Uridine phosphorylase, SULFATE ION, 2'-DEOXYURIDINE
Authors:Paul, D., O'Leary, S., Rajashankar, K., Bu, W., Toms, A., Settembre, E., Sanders, J., Begley, T.P., Ealick, S.E.
Deposit date:2009-11-27
Release date:2010-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.783 Å)
Cite:Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KVR
  • Download 3kvr
  • View 3kvr
Molmil generated image of 3kvr
TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS
Descriptor:Uridine phosphorylase, 5-FLUOROURACIL, SULFATE ION, ...
Authors:Paul, D., O'Leary, S., Rajashankar, K., Bu, W., Toms, A., Settembre, E., Sanders, J., Begley, T.P., Ealick, S.E.
Deposit date:2009-11-30
Release date:2010-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KVV
  • Download 3kvv
  • View 3kvv
Molmil generated image of 3kvv
TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS
Descriptor:Uridine phosphorylase, 5-FLUOROURACIL, SULFATE ION, ...
Authors:Paul, D., O'Leary, S., Rajashankar, K., Bu, W., Toms, A., Settembre, E., Sanders, J., Begley, T.P., Ealick, S.E.
Deposit date:2009-11-30
Release date:2010-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3KVY
  • Download 3kvy
  • View 3kvy
Molmil generated image of 3kvy
TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS
Descriptor:Uridine Phosphorylase, SULFATE ION, URACIL, ...
Authors:Paul, D., O'Leary, S., Rajashankar, K., Bu, W., Toms, A., Settembre, E., Sanders, J., Begley, T.P., Ealick, S.E.
Deposit date:2009-11-30
Release date:2010-04-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Glycal formation in crystals of uridine phosphorylase.
Biochemistry, 49, 2010
3H0L
  • Download 3h0l
  • View 3h0l
Molmil generated image of 3h0l
STRUCTURE OF TRNA-DEPENDENT AMIDOTRANSFERASE GATCAB FROM AQUIFEX AEOLICUS
Descriptor:Glutamyl-tRNA(Gln) amidotransferase subunit A, Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, Glutamyl-tRNA(Gln) amidotransferase subunit C, ...
Authors:Wu, J., Bu, W., Sheppard, K., Kitabatake, M., Soll, D., Smith, J.L.
Deposit date:2009-04-09
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into tRNA-Dependent Amidotransferase Evolution and Catalysis from the Structure of the Aquifex aeolicus Enzyme
J.Mol.Biol., 391, 2009
3H0M
  • Download 3h0m
  • View 3h0m
Molmil generated image of 3h0m
STRUCTURE OF TRNA-DEPENDENT AMIDOTRANSFERASE GATCAB FROM AQUIFEX AEOLICUS
Descriptor:Glutamyl-tRNA(Gln) amidotransferase subunit A, Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, Glutamyl-tRNA(Gln) amidotransferase subunit C, ...
Authors:Wu, J., Bu, W., Sheppard, K., Kitabatake, M., Soll, D., Smith, J.L.
Deposit date:2009-04-09
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Insights into tRNA-Dependent Amidotransferase Evolution and Catalysis from the Structure of the Aquifex aeolicus Enzyme
J.Mol.Biol., 391, 2009
3H0R
  • Download 3h0r
  • View 3h0r
Molmil generated image of 3h0r
STRUCTURE OF TRNA-DEPENDENT AMIDOTRANSFERASE GATCAB FROM AQUIFEX AEOLICUS
Descriptor:Glutamyl-tRNA(Gln) amidotransferase subunit A, Aspartyl/glutamyl-tRNA(Asn/Gln) amidotransferase subunit B, Glutamyl-tRNA(Gln) amidotransferase subunit C, ...
Authors:Wu, J., Bu, W., Sheppard, K., Kitabatake, M., Soll, D., Smith, J.L.
Deposit date:2009-04-10
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Insights into tRNA-Dependent Amidotransferase Evolution and Catalysis from the Structure of the Aquifex aeolicus Enzyme
J.Mol.Biol., 391, 2009
3D26
  • Download 3d26
  • View 3d26
Molmil generated image of 3d26
NORWALK P DOMAIN A-TRISACCHARIDE COMPLEX
Descriptor:58 kd capsid protein, N-ACETYL-D-GALACTOSAMINE, BETA-D-GALACTOSE, ...
Authors:Hegde, R., Bu, W.
Deposit date:2008-05-07
Release date:2008-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
3BQJ
  • Download 3bqj
  • View 3bqj
Molmil generated image of 3bqj
VA387 POLYPEPTIDE
Descriptor:va387 polypeptide
Authors:Bu, W., Mamedova, A., Tan, M., Jiang, J., Hegde, R.
Deposit date:2007-12-20
Release date:2008-04-22
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
3BY1
  • Download 3by1
  • View 3by1
Molmil generated image of 3by1
UNLIGANDED NORVALK VIRUS P DOMAIN
Descriptor:58 kd capsid protein
Authors:Hegde, R., Bu, W.
Deposit date:2008-01-15
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
3BY2
  • Download 3by2
  • View 3by2
Molmil generated image of 3by2
NORWALK P POLYPEPTIDE (228-523)
Descriptor:58 kd capsid protein
Authors:Hegde, R., Bu, W.
Deposit date:2008-01-15
Release date:2008-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the receptor binding specificity of Norwalk virus.
J.Virol., 82, 2008
1U1C
  • Download 1u1c
  • View 1u1c
Molmil generated image of 1u1c
STRUCTURE OF E. COLI URIDINE PHOSPHORYLASE COMPLEXED TO 5-BENZYLACYCLOURIDINE (BAU)
Descriptor:Uridine phosphorylase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Bu, W., Settembre, E.C., Ealick, S.E.
Deposit date:2004-07-15
Release date:2005-07-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for inhibition of Escherichia coli uridine phosphorylase by 5-substituted acyclouridines.
Acta Crystallogr.,Sect.D, 61, 2005
1U1D
  • Download 1u1d
  • View 1u1d
Molmil generated image of 1u1d
STRUCTURE OF E. COLI URIDINE PHOSPHORYLASE COMPLEXED TO 5-(PHENYLTHIO)ACYCLOURIDINE (PTAU)
Descriptor:Uridine phosphorylase, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Bu, W., Settembre, E.C., Ealick, S.E.
Deposit date:2004-07-15
Release date:2005-07-05
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural basis for inhibition of Escherichia coli uridine phosphorylase by 5-substituted acyclouridines.
Acta Crystallogr.,Sect.D, 61, 2005
<12>