Author results

2F2K
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ALDOSE REDUCTASE TERTIARY COMPLEX WITH NADPH AND DEG
Descriptor:Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE
Authors:Singh, R., White, M.A., Ramana, K.V., Petrash, J.M., Watowich, S.J., Bhatnagar, A., Srivastava, S.K.
Deposit date:2005-11-17
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure of a glutathione conjugate bound to the active site of aldose reductase.
Proteins, 64, 2006
5X49
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CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL X-PROLYL AMINOPEPTIDASE (XPNPEP3)
Descriptor:Probable Xaa-Pro aminopeptidase 3, MANGANESE (II) ION, DODECAETHYLENE GLYCOL, ...
Authors:Singh, R., Kumar, A., Ghosh, B., Jamdar, S., Makde, R.D.
Deposit date:2017-02-10
Release date:2017-05-17
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of the human aminopeptidase XPNPEP3 and comparison of its in vitro activity with Icp55 orthologs: Insights into diverse cellular processes.
J. Biol. Chem., 292, 2017
6A9T
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CRYSTAL STRUCTURE OF ICP55 FROM SACCHAROMYCES CEREVISIAE (N-TERMINAL 58 RESIDUES DELETION)
Descriptor:Intermediate cleaving peptidase 55, MANGANESE (II) ION, GLYCINE, ...
Authors:Singh, R., Kumar, A., Goyal, V.D., Makde, R.D.
Deposit date:2018-07-16
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structures and biochemical analyses of intermediate cleavage peptidase: Role of dynamics in enzymatic function.
FEBS Lett., 2018
6A9U
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CRYSTAL STRCTURE OF ICP55 FROM SACCHAROMYCES CEREVISIAE BOUND TO APSTATIN INHIBITOR
Descriptor:Intermediate cleaving peptidase 55, apstatin, MANGANESE (II) ION
Authors:Singh, R., Kumar, A., Goyal, V.D., Makde, R.D.
Deposit date:2018-07-16
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures and biochemical analyses of intermediate cleavage peptidase: Role of dynamics in enzymatic function.
FEBS Lett., 2018
6A9V
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CRYSTAL STRUCTURE OF ICP55 FROM SACCHAROMYCES CEREVISIAE (N-TERMINAL 42 RESIDUES DELETION)
Descriptor:Intermediate cleaving peptidase 55, MANGANESE (II) ION, TRIETHYLENE GLYCOL, ...
Authors:Singh, R., Kumar, A., Goyal, V.D., Makde, R.D.
Deposit date:2018-07-16
Release date:2019-01-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures and biochemical analyses of intermediate cleavage peptidase: Role of dynamics in enzymatic function.
FEBS Lett., 2018
3QNR
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DYPB FROM RHODOCOCCUS JOSTII RHA1, CRYSTAL FORM 1
Descriptor:DyP Peroxidase, PROTOPORPHYRIN IX CONTAINING FE, FORMIC ACID, ...
Authors:Singh, R., Roberts, J.N., Grigg, J.C., Eltis, L.D., Murphy, M.E.P.
Deposit date:2011-02-09
Release date:2011-04-27
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Characterization of dye-decolorizing peroxidases from Rhodococcus jostii RHA1.
Biochemistry, 50, 2011
3VEC
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RHODOCOCCUS JOSTII RHA1 DYPB D153A VARIANT IN COMPLEX WITH HEME
Descriptor:DypB, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Grigg, J.C., Singh, R., Armstrong, Z., Eltis, L.D., Murphy, M.E.P.
Deposit date:2012-01-07
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
3VED
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RHODOCOCCUS JOSTII RHA1 DYPB D153H VARIANT IN COMPLEX WITH HEME
Descriptor:DypB, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Grigg, J.C., Singh, R., Armstrong, Z., Eltis, L.D., Murphy, M.E.P.
Deposit date:2012-01-07
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
3VEE
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RHODOCOCCUS JOSTII RHA1 DYPB N246A VARIANT IN COMPLEX WITH HEME
Descriptor:DypB, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Grigg, J.C., Singh, R., Armstrong, Z., Eltis, L.D., Murphy, M.E.P.
Deposit date:2012-01-07
Release date:2012-01-18
Last modified:2012-08-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
3VEF
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RHODOCOCCUS JOSTII RHA1 DYPB N246H VARIANT IN COMPLEX WITH HEME
Descriptor:DypB, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION
Authors:Grigg, J.C., Singh, R., Armstrong, Z., Eltis, L.D., Murphy, M.E.P.
Deposit date:2012-01-07
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
3VEG
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RHODOCOCCUS JOSTII RHA1 DYPB R244L VARIANT IN COMPLEX WITH HEME
Descriptor:DypB, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION
Authors:Grigg, J.C., Singh, R., Armstrong, Z., Eltis, L.D., Murphy, M.E.P.
Deposit date:2012-01-07
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Distal heme pocket residues of B-type dye-decolorizing peroxidase: arginine but not aspartate is essential for peroxidase activity.
J.Biol.Chem., 287, 2012
4FP7
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2.2A RESOLUTION STRUCTURE OF PROTEASOME ASSEMBLY CHAPERONE HSM3
Descriptor:DNA mismatch repair protein HSM3
Authors:Lovell, S., Battaile, K.P., Singh, R., Zolkiewski, M., Roelofs, J.
Deposit date:2012-06-21
Release date:2013-04-10
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2.2A resolution structure of Proteasome Assembly Chaperone Hsm3
To be Published
4HOV
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DYPB N246A IN COMPLEX WITH MANGANESE
Descriptor:DypB, PROTOPORPHYRIN IX CONTAINING FE, CHLORIDE ION, ...
Authors:Grigg, J.C., Singh, R., Eltis, L.D., Murphy, M.E.P.
Deposit date:2012-10-22
Release date:2013-01-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Improved Manganese-Oxidizing Activity of DypB, a Peroxidase from a Lignolytic Bacterium.
Acs Chem.Biol., 8, 2013
1EE1
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CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE ATP, TWO MOLECULES DEAMIDO-NAD+ AND ONE MG2+ ION
Descriptor:NH(3)-DEPENDENT NAD(+) SYNTHETASE, MAGNESIUM ION, NICOTINIC ACID ADENINE DINUCLEOTIDE, ...
Authors:Devedjiev, Y., Symersky, J., Singh, R., Jedrzejas, M., Brouillette, C., Brouillette, W., Muccio, D., Chattopadhyay, D., Delucas, L.
Deposit date:2000-01-28
Release date:2001-06-06
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
2BV3
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CRYSTAL STRUCTURE OF A MUTANT ELONGATION FACTOR G TRAPPED WITH A GTP ANALOGUE
Descriptor:ELONGATION FACTOR G, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, MAGNESIUM ION
Authors:Hansson, S., Singh, R., Gudkov, A.T., Liljas, A., Logan, D.T.
Deposit date:2005-06-22
Release date:2005-08-10
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of a Mutant Elongation Factor G Trapped with a GTP Analogue.
FEBS Lett., 579, 2005
3ZJT
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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
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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
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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
1FYD
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CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE AMP, ONE PYROPHOSPHATE ION AND ONE MG2+ ION
Descriptor:NH(3)-DEPENDENT NAD(+) SYNTHETASE, MAGNESIUM ION, ADENOSINE MONOPHOSPHATE, ...
Authors:Devedjiev, Y., Symersky, J., Singh, R., Brouillette, W., Muccio, D., Jedrzejas, M., Brouillette, C., DeLucas, L.
Deposit date:2000-09-28
Release date:2001-06-06
Last modified:2015-12-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
1IFX
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CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH TWO MOLECULES DEAMIDO-NAD
Descriptor:NH(3)-DEPENDENT NAD(+) SYNTHETASE, NICOTINIC ACID ADENINE DINUCLEOTIDE
Authors:Devedjiev, Y., Symersky, J., Singh, R., Brouillette, W., Muccio, D., Jedrzejas, M., Brouillette, C., DeLucas, L.
Deposit date:2001-04-13
Release date:2001-06-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
1IH8
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NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH AMP-CPP AND MG2+ IONS.
Descriptor:NH(3)-DEPENDENT NAD(+) synthetase, MAGNESIUM ION, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Authors:Devedjiev, Y., Symersky, J., Singh, R., Jedrzejas, M., Brouillette, C., Brouillette, W., Muccio, D., Chattopadhyay, D., DeLucas, L.
Deposit date:2001-04-18
Release date:2001-06-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
1MU6
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CRYSTAL STRUCTURE OF THROMBIN IN COMPLEX WITH L-378,622
Descriptor:THROMBIN, HIRUDIN IIB, 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-6-PYRIDINYL)METHYL]ACETAMIDE
Authors:Burgey, C.S., Robinson, K.A., Lyle, T.A., Sanderson, P.E., Lewis, S.D., Lucas, B.J., Krueger, J.A., Singh, R., Miller-Stein, C., White, R.B., Wong, B., Lyle, E.A., Williams, P.D., Coburn, C.A., Dorsey, B.D., Barrow, J.C., Stranieri, M.T., Holahan, M.A., Sitko, G.R., Cook, J.J., McMasters, D.R., McDonough, C.M., Sanders, W.M., Wallace, A.A., Clayton, F.C., Bohn, D., Leonard, Y.M., Detwiler Jr., T.J., Lynch Jr., J.J., Yan, Y., Chen, Z., Kuo, L., Gardell, S.J., Shafer, J.A., Vacca, J.P.J.
Deposit date:2002-09-23
Release date:2004-04-06
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
1MU8
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THROMBIN-HIRUGEN_L-378,650
Descriptor:THROMBIN, HIRUDIN IIB, 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE
Authors:Burgey, C.S., Robinson, K.A., Lyle, T.A., Sanderson, P.E., Lewis, S.D., Lucas, B.J., Krueger, J.A., Singh, R., Miller-Stein, C., White, R.B., Wong, B., Lyle, E.A., Williams, P.D., Coburn, C.A., Dorsey, B.D., Barrow, J.C., Stranieri, M.T., Holahan, M.A., Sitko, G.R., Cook, J.J., McMasters, D.R., McDonough, C.M., Sanders, W.M., Wallace, A.A., Clayton, F.C., Bohn, D., Leonard, Y.M., Detwiler Jr., T.J., Lynch Jr., J.J., Yan, Y., Chen, Z., Kuo, L., Gardell, S.J., Shafer, J.A., Vacca, J.P.J.
Deposit date:2002-09-23
Release date:2004-04-06
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
1MUE
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THROMBIN-HIRUGEN-L405,426
Descriptor:THROMBIN, HIRUDIN IIB, 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE
Authors:Burgey, C.S., Robinson, K.A., Lyle, T.A., Nantermet, P.G., Selnick, H.G., Isaacs, R.C., Lewis, S.D., Lucas, B.J., Krueger, J.A., Singh, R., Miller-Stein, C., White, R.B., Wong, B., Lyle, E.A., Stranieri, M.T., Cook, J.J., McMasters, D.R., Pellicore, J.M., Pal, S., Wallace, A.A., Clayton, F.C., Bohn, D., Welsh, D.C., Lynch, J.J., Yan, Y., Chen, Z., Kuo, L., Gardell, S.J., Shafer, J.A., Vacca, J.P.
Deposit date:2002-09-23
Release date:2004-04-06
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides.
Bioorg.Med.Chem.Lett., 13, 2003
1XRZ
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NMR STRUCTURE OF A ZINC FINGER WITH CYCLOHEXANYLALANINE SUBSTITUTED FOR THE CENTRAL AROMATIC RESIDUE
Descriptor:Zinc finger Y-chromosomal protein, ZINC ION
Authors:Lachenmann, M.J., Ladbury, J.E., Qian, X., Huang, K., Singh, R., Weiss, M.A.
Deposit date:2004-10-17
Release date:2004-11-30
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solvation and the hidden thermodynamics of a zinc finger probed by nonstandard repair of a protein crevice
Protein Sci., 13, 2004
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