3TP4
| Crystal Structure of engineered protein at the resolution 1.98A, Northeast Structural Genomics Consortium Target OR128 | Descriptor: | ACETIC ACID, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Kuzin, A, Su, M, Seetharaman, J, Rajagopalan, S, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-07 | Release date: | 2011-10-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.979 Å) | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy. Nat.Chem.Biol., 10, 2014
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3U1V
| X-ray Structure of De Novo design cysteine esterase FR29, Northeast Structural Genomics Consortium Target OR52 | Descriptor: | De Novo design cysteine esterase FR29 | Authors: | Kuzin, A, Su, M, Vorobiev, S.M, Seetharaman, J, Patel, D, Xiao, R, Ciccosanti, C, Richter, F, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-09-30 | Release date: | 2011-12-07 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | Computational design of catalytic dyads and oxyanion holes for ester hydrolysis. J.Am.Chem.Soc., 134, 2012
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3U4T
| Crystal Structure of the C-terminal part of the TPR repeat-containing protein Q11TI6_CYTH3 from Cytophaga hutchinsonii. Northeast Structural Genomics Consortium Target ChR11B. | Descriptor: | TPR repeat-containing protein | Authors: | Vorobiev, S, Neely, H, Chen, Y, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-10-10 | Release date: | 2011-10-19 | Method: | X-RAY DIFFRACTION (2.282 Å) | Cite: | Crystal Structure of the C-terminal part of the TPR repeat-containing protein Q11TI6_CYTH3 from Cytophaga hutchinsonii. To be Published
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3SYX
| Crystal Structure of the WH1 domain from human sprouty-related, EVH1 domain-containing protein. Northeast Structural Genomics Consortium Target HR5538B. | Descriptor: | Sprouty-related, EVH1 domain-containing protein 1, YTTRIUM (III) ION | Authors: | Vorobiev, S, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Shastry, R, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-07-18 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.453 Å) | Cite: | Crystal Structure of the WH1 domain from human sprouty-related, EVH1 domain-containing protein. To be Published
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3SM3
| Crystal Structure of SAM-dependent methyltransferases Q8PUK2_METMA from Methanosarcina mazei. Northeast Structural Genomics Consortium Target MaR262. | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, SAM-dependent methyltransferases | Authors: | Vorobiev, S, Neely, H, Seetharaman, J, Snyder, A, Patel, P, Xiao, R, Ciccosanti, C, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-06-27 | Release date: | 2011-07-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Crystal Structure of SAM-dependent methyltransferases Q8PUK2_METMA from Methanosarcina mazei. To be Published, 2009
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6GX3
| Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 1 | Descriptor: | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-06-26 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis. ChemMedChem, 13, 2018
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3SH3
| Crystal structure of a pro-inflammatory lectin from the seeds of Dioclea wilsonii STANDL | Descriptor: | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, CHLORIDE ION, ... | Authors: | Rangel, T.B.A, Rocha, B.A.M, Bezerra, G.A, Bezerra, M.J.B, Nascimento, K.S, Nagano, C.S, Sampaio, A.H, Assreuy, A.M.S, Gruber, K, Delatorre, P, Cavada, B.S. | Deposit date: | 2011-06-15 | Release date: | 2011-10-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a pro-inflammatory lectin from the seeds of Dioclea wilsonii Standl. Biochimie, 94, 2012
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3SLO
| Pre-cleavage Structure of the Autotransporter EspP - N1023D mutant | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP | Authors: | Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K. | Deposit date: | 2011-06-24 | Release date: | 2011-11-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter. J.Mol.Biol., 415, 2012
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3SXW
| Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR69. | Descriptor: | Glucose-6-phosphate isomerase | Authors: | Vorobiev, S, Su, M, Nivon, L, Seetharaman, J, Patel, P, Xiao, R, Maglaqui, M, Ciccosanti, C, Baker, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-07-15 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR69. To be Published
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3S84
| Dimeric apoA-IV | Descriptor: | Apolipoprotein A-IV, SULFATE ION | Authors: | Deng, X, Davidson, W.S, Thompson, T.B. | Deposit date: | 2011-05-27 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Structure of Dimeric Apolipoprotein A-IV and Its Mechanism of Self-Association. Structure, 20, 2012
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3SLJ
| Pre-cleavage Structure of the Autotransporter EspP - N1023A mutant | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP | Authors: | Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K. | Deposit date: | 2011-06-24 | Release date: | 2011-11-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.481 Å) | Cite: | Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter. J.Mol.Biol., 415, 2012
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6HDD
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3SWV
| Crystal Structure of a domain of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 (Brefeldin A-inhibited GEP 2) from Homo sapiens (Human), Northeast Structural Genomics Consortium target id HR5562A | Descriptor: | Brefeldin A-inhibited guanine nucleotide-exchange protein 2 | Authors: | Seetharaman, J, Su, M, Forouhar, F, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-07-14 | Release date: | 2011-08-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of a domain of Brefeldin A-inhibited guanine nucleotide-exchange protein 2 (BrefeldinA-inhibited GEP 2) from Homo sapiens (Human), Northeast Structural Genomics Consortium target id HR5562A To be Published
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6HQY
| Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051 | Descriptor: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ... | Authors: | Marek, M, Shaik, T.B, Romier, C. | Deposit date: | 2018-09-25 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTG
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 4 | Descriptor: | 3-benzamido-4-chloranyl-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-04 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.939 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HTZ
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 8 | Descriptor: | 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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3SEK
| Crystal Structure of the Myostatin:Follistatin-like 3 Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Follistatin-related protein 3, Growth/differentiation factor 8 | Authors: | Cash, J.N, Thompson, T.B. | Deposit date: | 2011-06-10 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structure of myostatinfollistatin-like 3: N-terminal domains of follistatin-type molecules exhibit alternate modes of binding. J.Biol.Chem., 287, 2012
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3SLT
| Pre-cleavage Structure of the Autotransporter EspP - N1023S Mutant | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Serine protease espP | Authors: | Barnard, T.B, Noinaj, N, Easley, N.C, Kuszak, A.J, Buchanan, S.K. | Deposit date: | 2011-06-25 | Release date: | 2011-11-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter. J.Mol.Biol., 415, 2012
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6GXU
| Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 3 | Descriptor: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-06-27 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.917 Å) | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis. ChemMedChem, 13, 2018
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6GXW
| Crystal structure of Schistosoma mansoni HDAC8 complexed with an hydroxamate 4 | Descriptor: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-06-27 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.071 Å) | Cite: | Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis. ChemMedChem, 13, 2018
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3TC7
| Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR62. | Descriptor: | ACETIC ACID, Indole-3-glycerol phosphate synthase, PHOSPHATE ION | Authors: | Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2011-08-08 | Release date: | 2011-08-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Exploration of alternate catalytic mechanisms and optimization strategies for retroaldolase design. J.Mol.Biol., 426, 2014
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6HSG
| Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149 | Descriptor: | DIMETHYLFORMAMIDE, GLYCEROL, Histone deacetylase, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-01 | Release date: | 2018-10-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU1
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 10 | Descriptor: | 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HU0
| Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 9 | Descriptor: | 3-[(2,4-dichlorophenyl)carbonylamino]-4-methoxy-~{N}-oxidanyl-benzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... | Authors: | Shaik, T.B, Marek, M, Romier, C. | Deposit date: | 2018-10-05 | Release date: | 2018-10-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HYE
| PDX1.2/PDX1.3 complex (PDX1.3:K97A) | Descriptor: | Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION | Authors: | Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B. | Deposit date: | 2018-10-20 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse. Acta Crystallogr D Struct Biol, 75, 2019
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