5N65
 
 | | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9h | | Descriptor: | 2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | | Deposit date: | 2017-02-14 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
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5N64
 | | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9g | | Descriptor: | 2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | | Deposit date: | 2017-02-14 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
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3O7M
 | | 1.98 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor' | | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, Hypoxanthine phosphoribosyltransferase, ... | | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-07-30 | | Release date: | 2010-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | 1.98 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor'
TO BE PUBLISHED
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5MZ3
 | | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | | Authors: | Cowan-Jacob, S.W, Scheufler, C. | | Deposit date: | 2017-01-30 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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3O1N
 | | 1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium | | Descriptor: | 3-dehydroquinate dehydratase, CHLORIDE ION, MAGNESIUM ION | | Authors: | Light, S.H, Minasov, G, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-07-21 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | A conserved surface loop in type I dehydroquinate dehydratases positions an active site arginine and functions in substrate binding.
Biochemistry, 50, 2011
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3NQR
 | | A putative CBS domain-containing protein from Salmonella typhimurium LT2 | | Descriptor: | ADENOSINE MONOPHOSPHATE, Magnesium and cobalt efflux protein corC | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Cui, H, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-06-29 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A putative CBS domain-containing protein from Salmonella typhimurium LT2.
To be Published
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5N66
 | | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9j | | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Mitogen-activated protein kinase 14, ~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine | | Authors: | Buehrmann, M, Mueller, M.P, Wiedemann, B, Rauh, D. | | Deposit date: | 2017-02-14 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
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3NVT
 | | 1.95 Angstrom crystal structure of a bifunctional 3-deoxy-7-phosphoheptulonate synthase/chorismate mutase (aroA) from Listeria monocytogenes EGD-e | | Descriptor: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, ACETATE ION, MANGANESE (II) ION | | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-07-08 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural analysis of a 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase with an N-terminal chorismate mutase-like regulatory domain.
Protein Sci., 21, 2012
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3OEX
 | | Crystal Structure of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium with close loop conformation. | | Descriptor: | 3-dehydroquinate dehydratase, CHLORIDE ION | | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-08-13 | | Release date: | 2010-09-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A conserved surface loop in type I dehydroquinate dehydratases positions an active site arginine and functions in substrate binding.
Biochemistry, 50, 2011
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3OET
 | | D-Erythronate-4-Phosphate Dehydrogenase complexed with NAD | | Descriptor: | Erythronate-4-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Filippova, E.V, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Edwards, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-08-13 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | D-Erythronate-4-Phosphate Dehydrogenase complexed with NAD
To be Published
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3OKF
 | | 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (aroB) from Vibrio cholerae | | Descriptor: | 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-08-24 | | Release date: | 2010-09-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | 2.5 Angstrom Resolution Crystal Structure of 3-Dehydroquinate Synthase (aroB) from Vibrio cholerae.
TO BE PUBLISHED
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3OYT
 | | 1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabB) from Yersinia pestis CO92 | | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase I, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Peterson, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-09-23 | | Release date: | 2011-01-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | 1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabB) from Yersinia pestis CO92
To be Published
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3OT5
 | | 2.2 Angstrom Resolution Crystal Structure of putative UDP-N-acetylglucosamine 2-epimerase from Listeria monocytogenes | | Descriptor: | DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL, UDP-N-acetylglucosamine 2-epimerase | | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-09-10 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 2.2 Angstrom Resolution Crystal Structure of putative UDP-N-acetylglucosamine 2-epimerase from Listeria monocytogenes.
TO BE PUBLISHED
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3OUT
 | | Crystal structure of glutamate racemase from Francisella tularensis subsp. tularensis SCHU S4 in complex with D-glutamate. | | Descriptor: | D-GLUTAMIC ACID, Glutamate racemase | | Authors: | Filippova, E.V, Wawrzak, Z, Onopriyenko, O, Kudriska, M, Edwards, A, Savchenko, A, Anderson, F.W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-09-15 | | Release date: | 2010-09-29 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of glutamate racemase from Francisella tularensis subsp. tularensis SCHU S4 in complex with D-glutamate.
To be Published
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3P52
 | | NH3-dependent NAD synthetase from Campylobacter jejuni subsp. jejuni NCTC 11168 in complex with the nitrate ion | | Descriptor: | NH(3)-dependent NAD(+) synthetase, NITRATE ION | | Authors: | Filippova, E.V, Wawrzak, Z, Onopriyenko, O, Skarina, T, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-10-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | NH3-dependent NAD synthetase from Campylobacter jejuni subsp. jejuni NCTC 11168 in complex with the nitrate ion
To be Published
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3PAJ
 | | 2.00 Angstrom resolution crystal structure of a quinolinate phosphoribosyltransferase from Vibrio cholerae O1 biovar eltor str. N16961 | | Descriptor: | MAGNESIUM ION, Nicotinate-nucleotide pyrophosphorylase, carboxylating | | Authors: | Halavaty, A.S, Minasov, G, Winsor, J, Dubrovska, I, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-10-19 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2.00 Angstrom resolution crystal structure of a quinolinate phosphoribosyltransferase from Vibrio cholerae O1 biovar eltor str. N16961
To be Published
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5N68
 | | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9m | | Descriptor: | 2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine, Mitogen-activated protein kinase 14 | | Authors: | Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2017-02-14 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
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5N63
 | | Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9c | | Descriptor: | Mitogen-activated protein kinase 14, ~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine | | Authors: | Buehrmann, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2017-02-14 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design, synthesis and crystallization of 2-arylquinazolines as lipid pocket ligands of p38 alpha MAPK.
PLoS ONE, 12, 2017
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3OTR
 | | 2.75 Angstrom Crystal Structure of Enolase 1 from Toxoplasma gondii | | Descriptor: | CHLORIDE ION, Enolase, SULFATE ION | | Authors: | Minasov, G, Ruan, J, Shuvalova, L, Halavaty, A, Ngo, H, Tomavo, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-09-13 | | Release date: | 2010-09-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The structure of bradyzoite-specific enolase from Toxoplasma gondii reveals insights into its dual cytoplasmic and nuclear functions.
Acta Crystallogr.,Sect.D, 71, 2015
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3OO2
 | | 2.37 Angstrom resolution crystal structure of an alanine racemase (alr) from Staphylococcus aureus subsp. aureus COL | | Descriptor: | Alanine racemase 1, BETA-MERCAPTOETHANOL, PHOSPHATE ION, ... | | Authors: | Halavaty, A.S, Shuvalova, L, Minasov, G, Winsor, J, Dubrovska, I, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-08-30 | | Release date: | 2010-10-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | 2.37 Angstrom resolution crystal structure of an alanine racemase (alr) from Staphylococcus aureus subsp. aureus COL
TO BE PUBLISHED
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3OPQ
 | | Phosphoribosylaminoimidazole carboxylase with fructose-6-phosphate bound to the central channel of the octameric protein structure. | | Descriptor: | CHLORIDE ION, FORMIC ACID, FRUCTOSE -6-PHOSPHATE, ... | | Authors: | Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-09-01 | | Release date: | 2010-11-17 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Phosphoribosylaminoimidazole carboxylase with fructose-6-phosphate bound to the central channel of the octameric protein structure.
To be Published
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3MJD
 | | 1.9 Angstrom Crystal Structure of Orotate Phosphoribosyltransferase (pyrE) Francisella tularensis. | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Orotate phosphoribosyltransferase | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-04-12 | | Release date: | 2010-04-21 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Crystal Structure of Orotate Phosphoribosyltransferase (pyrE) Francisella tularensis.
TO BE PUBLISHED
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5N67
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3MAH
 | | A putative c-terminal regulatory domain of aspartate kinase from porphyromonas gingivalis w83. | | Descriptor: | Aspartokinase, SULFATE ION | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Moy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-03-23 | | Release date: | 2010-04-14 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | A Putative C-Terminal Regulatory Domain of Aspartate Kinase from Porphyromonas Gingivalis W83.
To be Published
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3MVN
 | | Crystal structure of a domain from a putative UDP-N-acetylmuramate:L-alanyl-gamma-D-glutamyl-medo-diaminopimelate ligase from Haemophilus ducreyi 35000HP | | Descriptor: | UDP-N-acetylmuramate:L-alanyl-gamma-D-glutamyl-medo-diaminopimelate ligase | | 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: | 2010-05-04 | | Release date: | 2010-06-16 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a domain from a putative UDP-N-acetylmuramate:L-alanyl-gamma-D-glutamyl-medo-diaminopimelate ligase from Haemophilus ducreyi 35000HP
To be Published
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