3CB3
 
 | | Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate | | Descriptor: | L-GLUCARIC ACID, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-02-21 | | Release date: | 2008-03-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate.
To be Published
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2L5L
 | | Solution Structure of Thioredoxin from Bacteroides Vulgatus | | Descriptor: | Thioredoxin | | Authors: | Harris, R, Foti, R, Seidel, R.D, Bonanno, J.B, Freeman, J, Bain, K.T, Sauder, J.M, Burley, S.K, Girvin, M.E, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2010-11-02 | | Release date: | 2010-11-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Thioredoxin from Bacteroides Vulgatus
To be Published
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2LLV
 | | Solution structure of the yeast Sti1 DP1 domain | | Descriptor: | Heat shock protein STI1 | | Authors: | Schmid, A.B, Lagleder, S, Graewert, M.A, Roehl, A, Hagn, F, Wandinger, S.K, Cox, M.B, Demmer, O, Richter, K, Groll, M, Kessler, H, Buchner, J. | | Deposit date: | 2011-11-17 | | Release date: | 2012-01-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop.
Embo J., 31, 2012
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2L5O
 | | Solution Structure of a Putative Thioredoxin from Neisseria meningitidis | | Descriptor: | Putative thioredoxin | | Authors: | Harris, R, Foti, R, Seidel, R.D, Bonanno, J.B, Freeman, J, Bain, K.T, Sauder, J.M, Burley, S.K, Girvin, M.E, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2010-11-03 | | Release date: | 2010-12-15 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Putative Thioredoxin from Neisseria meningitidis
To be Published
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3CAX
 | | Crystal structure of uncharacterized protein PF0695 | | Descriptor: | Uncharacterized protein PF0695 | | Authors: | Ramagopal, U.A, Hu, S, Toro, R, Gilmore, M, Bain, K, Meyer, A.J, Rodgers, L, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-02-20 | | Release date: | 2008-03-18 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Crystal structure of uncharacterized protein PF0695.
To be Published
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3CBN
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2LQ5
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5Q1E
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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3CBW
 | | Crystal structure of the YdhT protein from Bacillus subtilis | | Descriptor: | CITRIC ACID, YdhT protein | | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Iizuka, M, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-02-23 | | Release date: | 2008-03-11 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.269 Å) | | Cite: | Crystal structure of the YdhT protein from Bacillus subtilis.
To be Published
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3CDX
 | | Crystal structure of succinylglutamatedesuccinylase/aspartoacylase from Rhodobacter sphaeroides | | Descriptor: | CALCIUM ION, Succinylglutamatedesuccinylase/aspartoacylase | | Authors: | Bonanno, J.B, Rutter, M, Bain, K.T, Iizuka, M, Patterson, K, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-02-27 | | Release date: | 2008-03-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of succinylglutamatedesuccinylase/aspartoacylase from Rhodobacter sphaeroides.
To be Published
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2I1Y
 | | Crystal structure of the phosphatase domain of human PTP IA-2 | | Descriptor: | GLYCEROL, Receptor-type tyrosine-protein phosphatase | | Authors: | Faber-Barata, J, Patskovsky, Y, Alvarado, J, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Maletic, M, Rooney, I, Bain, K.T, Freeman, M, Russell, J.C, Thompson, D.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-08-15 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
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5Q0L
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | (2S)-N,2-dicyclohexyl-2-{2-[4-(hydroxymethyl)phenyl]-1H-benzimidazol-1-yl}acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q0Y
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | (2S)-N,2-dicyclohexyl-2-{5,6-difluoro-2-[6-(1H-pyrazol-1-yl)pyridin-3-yl]-1H-benzimidazol-1-yl}acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q1F
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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2IA1
 | | Crystal structure of protein BH3703 from Bacillus halodurans, Pfam DUF600 | | Descriptor: | BH3703 protein, GLYCEROL, SULFATE ION | | Authors: | Ramagopal, U.A, Russell, M, Toro, R, Freeman, J.C, Reyes, C, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-06 | | Release date: | 2006-10-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure of hypothetical protein BH3703 from Bacillus halodurans
To be Published
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2HY3
 | | Crystal structure of the human tyrosine receptor phosphate gamma in complex with vanadate | | Descriptor: | Receptor-type tyrosine-protein phosphatase gamma, VANADATE ION | | Authors: | Jin, X, Min, T, Bera, A, Mu, H, Sauder, J.M, Freeman, J.C, Reyes, C, Smith, D, Wasserman, S.R, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-08-04 | | Release date: | 2006-09-05 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
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5Q0S
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(2-cyanophenyl)-2-cyclohexylacetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q17
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | 4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator peptide SRC2 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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5Q1H
 | | Ligand binding to FARNESOID-X-RECEPTOR | | Descriptor: | (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-05 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
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2HXP
 | | Crystal Structure of the human phosphatase (DUSP9) | | Descriptor: | Dual specificity protein phosphatase 9, PHOSPHATE ION | | Authors: | Madegowda, M, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-08-03 | | Release date: | 2006-08-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural genomics of protein phosphatases.
J.Struct.Funct.Genom., 8, 2007
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2HZT
 | | Crystal Structure of a putative HTH-type transcriptional regulator ytcD | | Descriptor: | Putative HTH-type transcriptional regulator ytcD | | Authors: | Madegowda, M, Eswaramoorthy, S, Desigan, K, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-08-09 | | Release date: | 2006-08-29 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of a putative HTH-type transcription regulator ytcD
To be Published
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2I44
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3CHH
 | | Crystal Structure of Di-iron AurF | | Descriptor: | MU-OXO-DIIRON, p-Aminobenzoate N-Oxygenase | | Authors: | Zhang, H, Brunzelle, J.S, Nair, S.K. | | Deposit date: | 2008-03-09 | | Release date: | 2008-05-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | In vitro reconstitution and crystal structure of p-aminobenzoate N-oxygenase (AurF) involved in aureothin biosynthesis.
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3CIH
 | | Crystal structure of a putative alpha-rhamnosidase from Bacteroides thetaiotaomicron | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative alpha-rhamnosidase | | Authors: | Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-11 | | Release date: | 2008-04-01 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of a putative alpha-rhamnosidase from Bacteroides thetaiotaomicron.
To be Published
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3CT2
 | | Crystal structure of muconate cycloisomerase from Pseudomonas fluorescens | | Descriptor: | MAGNESIUM ION, Muconate cycloisomerase | | Authors: | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-04-11 | | Release date: | 2008-04-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes.
Biochemistry, 48, 2009
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