2XX8
 
 | | Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-09 | | Release date: | 2011-04-27 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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5EHY
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine, ... | | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | Deposit date: | 2015-10-29 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
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3MZY
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5EI8
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-(1-methylpyrazol-4-yl)pyrido[3,4-d]pyrimidin-2-amine | | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | Deposit date: | 2015-10-29 | | Release date: | 2016-04-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.
J.Med.Chem., 59, 2016
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3D6K
 | | The crystal structure of a putative aminotransferase from Corynebacterium diphtheriae | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative aminotransferase, ... | | Authors: | Tan, K, Zhang, R, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-05-19 | | Release date: | 2008-07-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of a putative aminotransferase from Corynebacterium diphtheriae
To be Published
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3EY5
 | | Putative acetyltransferase from GNAT family from Bacteroides thetaiotaomicron. | | Descriptor: | Acetyltransferase-like, GNAT family, SULFATE ION | | Authors: | Osipiuk, J, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-10-17 | | Release date: | 2008-11-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | X-ray crystal structure of putative acetyltransferase from GNAT family from Bacteroides thetaiotaomicron.
To be Published
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3F0A
 | | Structure of a putative n-acetyltransferase (ta0374) in complex with acetyl-coa from thermoplasma acidophilum | | Descriptor: | ACETYL COENZYME *A, CHLORIDE ION, N-ACETYLTRANSFERASE, ... | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-10-24 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011
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3NE7
 | | Crystal structure of paia n-acetyltransferase from thermoplasma acidophilum in complex with coenzyme a | | Descriptor: | ACETYLTRANSFERASE, BETA-MERCAPTOETHANOL, COENZYME A, ... | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-06-08 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of the novel PaiA N-acetyltransferase from Thermoplasma acidophilum involved in the negative control of sporulation and degradative enzyme production.
Proteins, 79, 2011
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3CJ8
 | | Crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Enterococcus faecalis V583 | | Descriptor: | 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-acetyltransferase, ACETATE ION, CHLORIDE ION, ... | | Authors: | Tan, K, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-03-12 | | Release date: | 2008-03-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate N-succinyltransferase from Enterococcus faecalis V583.
To be Published
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1MNB
 | | BIV TAT PEPTIDE (RESIDUES 68-81), NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | BIV TAR RNA, BIV TAT PEPTIDE | | Authors: | Puglisi, J.D, Chen, L, Blanchard, S, Frankel, A.D. | | Deposit date: | 1996-07-25 | | Release date: | 1997-01-27 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a bovine immunodeficiency virus Tat-TAR peptide-RNA complex.
Science, 270, 1995
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1P7P
 | | Methionyl-tRNA synthetase from Escherichia coli complexed with methionine phosphonate | | Descriptor: | (1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID, Methionyl-tRNA synthetase, ZINC ION | | Authors: | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | | Deposit date: | 2003-05-05 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
J.Mol.Biol., 332, 2003
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3PSL
 | | Fine-tuning the stimulation of MLL1 methyltransferase activity by a histone H3 based peptide mimetic | | Descriptor: | N-alpha acetylated form of histone H3, WD repeat-containing protein 5 | | Authors: | Avdic, V, Zhang, P, Lanouette, S, Voronova, A, Skerjanc, I, Couture, J.-F. | | Deposit date: | 2010-12-01 | | Release date: | 2010-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fine-tuning the stimulation of MLL1 methyltransferase activity by a histone H3-based peptide mimetic.
Faseb J., 25, 2011
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8B80
 | | The structure of Gan1D W433A in complex with galactose-6P | | Descriptor: | 6-O-phosphono-beta-D-galactopyranose, GLYCEROL, IMIDAZOLE, ... | | Authors: | Snyder, J, Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | | Deposit date: | 2022-10-04 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The structure of Gan1D W433A in complex with galactose-6P
To Be Published
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8B81
 | | The structure of Gan1D W433A in complex with cellobiose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, IMIDAZOLE, Putative 6-phospho-beta-galactobiosidase | | Authors: | Snyder, J, Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | | Deposit date: | 2022-10-04 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.585 Å) | | Cite: | The structure of Gan1D W433A in complex with cellobiose-6-phosphate
To Be Published
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3CLQ
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3D0F
 | | Structure of the BIG_1156.2 domain of putative penicillin-binding protein MrcA from Nitrosomonas europaea ATCC 19718 | | Descriptor: | GLYCEROL, PHOSPHATE ION, Penicillin-binding 1 transmembrane protein MrcA | | Authors: | Cuff, M.E, Mulligan, R, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-05-01 | | Release date: | 2008-07-01 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structure of the BIG_1156.2 domain of putative penicillin-binding protein MrcA from Nitrosomonas europaea ATCC 19718.
TO BE PUBLISHED
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3D3Y
 | | Crystal structure of a conserved protein from Enterococcus faecalis V583 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Uncharacterized protein | | Authors: | Tan, K, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-05-13 | | Release date: | 2008-07-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The crystal structure of a conserved protein from Enterococcus faecalis V583.
To be Published
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3N2Q
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5EHO
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine | | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | Deposit date: | 2015-10-28 | | Release date: | 2016-11-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
To Be Published
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3CO5
 | | Crystal structure of sigma-54 interaction domain of putative transcriptional response regulator from Neisseria gonorrhoeae | | Descriptor: | BETA-MERCAPTOETHANOL, Putative two-component system transcriptional response regulator | | Authors: | Osipiuk, J, Hendricks, R, Bigelow, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-03-27 | | Release date: | 2008-04-08 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray crystal structure of Sigma-54 interaction domain of putative transcriptional response regulator from Neisseria gonorrhoeae.
To be Published
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3TEV
 | | The crystal structure of glycosyl hydrolase from Deinococcus radiodurans R1 | | Descriptor: | Glycosyl hyrolase, family 3 | | Authors: | Chang, C, Hatzos-Skintges, C, Kohler, M, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-08-15 | | Release date: | 2011-08-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of glycosyl hydrolase from Deinococcus radiodurans R1
To be Published
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3NBM
 | | The lactose-specific IIB component domain structure of the phosphoenolpyruvate:carbohydrate phosphotransferase system (PTS) from Streptococcus pneumoniae. | | Descriptor: | GLYCEROL, PTS system, lactose-specific IIBC components | | Authors: | Cuff, M.E, Chhor, G, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-06-03 | | Release date: | 2010-09-08 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure of the lactose-specific IIB component domain of the phosphoenolpyruvate:carbohydrate phosphotransferase system (PTS) from Streptococcus pneumoniae.
TO BE PUBLISHED
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1PFY
 | | METHIONYL-TRNA SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH METHIONYL SULPHAMOYL ADENOSINE | | Descriptor: | 5'-O-[(L-METHIONYL)-SULPHAMOYL]ADENOSINE, Methionyl-tRNA synthetase, ZINC ION | | Authors: | Crepin, T, Schmitt, E, Mechulam, Y, Sampson, P.B, Vaughan, M.D, Honek, J.F, Blanquet, S. | | Deposit date: | 2003-05-27 | | Release date: | 2004-02-17 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Use of analogues of methionine and methionyl adenylate to sample conformational changes during catalysis in Escherichia coli methionyl-tRNA synthetase.
J.Mol.Biol., 332, 2003
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3F6N
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3OJ0
 | | Crystal structure of glutamyl-tRNA reductase from Thermoplasma volcanium (nucleotide binding domain) | | Descriptor: | GLYCEROL, Glutamyl-tRNA reductase, SULFATE ION | | Authors: | Michalska, K, Marshall, N, Clancy, S, Puttagunta, R, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-08-20 | | Release date: | 2010-09-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.648 Å) | | Cite: | Crystal structure of glutamyl-tRNA reductase from Thermoplasma volcanium (nucleotide binding domain)
To be Published
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