3UJO
 
 | | Galactose-specific seed lectin from Dolichos lablab in complex with adenine and galactose | | Descriptor: | 1,2-ETHANEDIOL, ADENINE, CALCIUM ION, ... | | Authors: | Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K. | | Deposit date: | 2011-11-08 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
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3UJQ
 | | Galactose-specific lectin from Dolichos lablab in complex with galactose | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K. | | Deposit date: | 2011-11-08 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
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6TOG
 | | Crystal structure of human BCL6 BTB domain in complex with compound 5 | | Descriptor: | 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... | | Authors: | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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3UL2
 | | Galactose-specific lectin from Dolichos lablab in P6522 space group | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K. | | Deposit date: | 2011-11-10 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
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3UK9
 | | Galactose-specific lectin from Dolichos lablab | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Shetty, K.N, Latha, V.L, Rao, R.N, Nadimpalli, S.K, Suguna, K. | | Deposit date: | 2011-11-09 | | Release date: | 2012-11-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Affinity of a galactose-specific legume lectin from Dolichos lablab to adenine revealed by X-ray cystallography.
Iubmb Life, 65, 2013
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6TOF
 | | Crystal structure of human BCL6 BTB domain in complex with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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3R0E
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7ZWN
 | | Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide | | Descriptor: | 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... | | Authors: | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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7ZWP
 | | Crystal structure of human BCL6 BTB domain in complex with compound 7 | | Descriptor: | 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ... | | Authors: | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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7ZWY
 | | Crystal structure of human BCL6 BTB domain in complex with compound 21 | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
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6TOH
 | | Crystal structure of human BCL6 BTB domain in complex with compound 6 | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Shetty, K, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2019-12-11 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
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2G7J
 | | Solution NMR structure of the putative cytoplasmic protein ygaC from Salmonella typhimurium. Northeast Structural Genomics target StR72. | | Descriptor: | putative cytoplasmic protein | | Authors: | Aramini, J.M, Swapna, G.V.T, Ramelot, T.A, Ho, C.K, Cunningham, K, Ma, L.-C, Shetty, K, Xiao, R, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-02-28 | | Release date: | 2006-05-02 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the putative cytoplasmic protein ygaC from Salmonella typhimurium. Northeast Structural Genomics target StR72.
To be Published
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2HEP
 | | Solution NMR structure of the UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384. | | Descriptor: | UPF0291 protein ynzC | | Authors: | Aramini, J.M, Swapna, G.V.T, Ho, C.K, Shetty, K, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-06-21 | | Release date: | 2006-08-15 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis
Proteins, 72, 2008
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2FJ6
 | | Solution NMR structure of the UPF0346 protein yozE from Bacillus subtilis. Northeast Structural Genomics target SR391. | | Descriptor: | Hypothetical UPF0346 protein yozE | | Authors: | Rossi, P, Acton, T.B, Cunningham, K.E, Ma, L.C, Shetty, K, Swapna, G.V.T, Xiao, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2005-12-31 | | Release date: | 2006-02-14 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of the UPF0346 protein yozE from Bacillus subtilis. Northeast Structural Genomics target SR391.
To be Published
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3N36
 | | Erythrina corallodendron lectin mutant (Y106G) in complex with Galactose | | Descriptor: | CALCIUM ION, Lectin, MANGANESE (II) ION, ... | | Authors: | Thamotharan, S, Karthikeyan, T, Kulkarni, K.A, Shetty, K.N, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 2010-05-19 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Modification of the sugar specificity of a plant lectin: structural studies on a point mutant of Erythrina corallodendron lectin.
Acta Crystallogr.,Sect.D, 67, 2011
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3N3H
 | | Erythrina corallodendron lectin mutant (Y106G) in complex with citrate | | Descriptor: | CALCIUM ION, CITRIC ACID, Lectin, ... | | Authors: | Thamotharan, S, Karthikeyan, T, Kulkarni, K.A, Shetty, K.N, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 2010-05-20 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Modification of the sugar specificity of a plant lectin: structural studies on a point mutant of Erythrina corallodendron lectin.
Acta Crystallogr.,Sect.D, 67, 2011
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3N35
 | | Erythrina corallodendron lectin mutant (Y106G) with N-Acetylgalactosamine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, Lectin, ... | | Authors: | Thamotharan, S, Karthikeyan, T, Kulkarni, K.A, Shetty, K.N, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 2010-05-19 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Modification of the sugar specificity of a plant lectin: structural studies on a point mutant of Erythrina corallodendron lectin.
Acta Crystallogr.,Sect.D, 67, 2011
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2FKI
 | | NMR Structure of Protein yjbR from Escherichia coli; Northeast Structural Genomics Consortium Target ER226 | | Descriptor: | Protein yjbR | | Authors: | Singarapu, K.K, Liu, G, Xiao, R, Shetty, K.G, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-01-04 | | Release date: | 2006-02-28 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | NMR structure of protein yjbR from Escherichia coli reveals 'double-wing' DNA binding motif.
Proteins, 67, 2007
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2K4N
 | | NMR structure of protein PF0246 from Pyrococcus furiosus: target PfR75 from the Northeast Structural Genomics Consortium | | Descriptor: | Protein PF0246 | | Authors: | Cort, J.R, Ho, C.K, Shetty, K, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-06-13 | | Release date: | 2008-08-12 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Solution-State NMR Structure of protein PF0246 from Pyrococcus Furiosis
To be Published
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2HGK
 | | Solution NMR Structure of protein YqcC from E. coli: Northeast Structural Genomics Consortium target ER225 | | Descriptor: | Hypothetical protein yqcC | | Authors: | Cort, J.R, Wang, D, Shetty, K, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-06-27 | | Release date: | 2007-06-05 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | NMR structure of protein YqcC from E.coli
To be Published
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