4EG9
 
 | | 1.9 Angstrom resolution crystal structure of Se-methionine hypothetical protein SAOUHSC_02783 from Staphylococcus aureus | | Descriptor: | CALCIUM ION, Uncharacterized protein SAOUHSC_02783 | | Authors: | Biancucci, M, Minasov, G, Halavaty, A, Filippova, E.V, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-03-30 | | Release date: | 2012-04-11 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom resolution crystal structure of Se-methionine hypothetical protein SAOUHSC_02783 from Staphylococcus aureus
TO BE PUBLISHED
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2PVK
 | | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | | Descriptor: | 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | | Deposit date: | 2007-05-09 | | Release date: | 2008-05-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
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4ERR
 | | 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio vulnificus MARTX Effector Domain DUF5 | | Descriptor: | Autotransporter adhesin, BROMIDE ION, CHLORIDE ION | | Authors: | Minasov, G, Wawrzak, Z, Geissler, B, Shuvalova, L, Dubrovska, I, Winsor, J, Satchell, K.J, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-20 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | 1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio vulnificus MARTX Effector Domain DUF5.
TO BE PUBLISHED
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2PVJ
 | | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | | Descriptor: | 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | | Deposit date: | 2007-05-09 | | Release date: | 2008-05-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
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4DWJ
 | | Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with Thymidine Monophosphate | | Descriptor: | THYMIDINE-5'-PHOSPHATE, Thymidylate kinase | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-02-24 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with Thymidine Monophosphate
To be Published
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4EDP
 | | 1.85 Angstrom resolution crystal structure of an ABC transporter from Clostridium perfringens ATCC 13124 | | Descriptor: | ABC transporter, substrate-binding protein, ACETATE ION, ... | | Authors: | Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-03-27 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | 1.85 Angstrom resolution crystal structure of an ABC transporter from Clostridium perfringens ATCC 13124
To be Published
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4DB3
 | | 1.95 Angstrom Resolution Crystal Structure of N-acetyl-D-glucosamine kinase from Vibrio vulnificus. | | Descriptor: | CHLORIDE ION, GLYCEROL, N-acetyl-D-glucosamine kinase, ... | | Authors: | Minasov, G, Wawrzak, Z, Onopriyenko, O, Skarina, T, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-01-13 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1.95 Angstrom Resolution Crystal Structure of N-acetyl-D-glucosamine kinase from Vibrio vulnificus.
TO BE PUBLISHED
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2OKR
 | | Crystal Structure of the P38a-MAPKAP kinase 2 Heterodimer | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14 | | Authors: | Ter Haar, E. | | Deposit date: | 2007-01-17 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
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4DXE
 | | 2.52 Angstrom resolution crystal structure of the acyl-carrier-protein synthase (AcpS)-acyl carrier protein (ACP) protein-protein complex from Staphylococcus aureus subsp. aureus COL | | Descriptor: | Acyl carrier protein, MALONATE ION, acyl-carrier-protein synthase | | Authors: | Halavaty, A.S, Minasov, G, Filippova, E.V, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-02-27 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | 2.52 Angstrom resolution crystal structure of the acyl-carrier-protein synthase (AcpS)-acyl carrier protein (ACP) protein-protein complex from Staphylococcus aureus subsp. aureus COL
To be Published
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4DD5
 | | Biosynthetic Thiolase (ThlA1) from Clostridium difficile | | Descriptor: | Acetyl-CoA acetyltransferase | | 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: | 2012-01-18 | | Release date: | 2012-02-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Biosynthetic Thiolase (ThlA1) from Clostridium difficile
To be Published
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4EIV
 | | 1.37 Angstrom resolution crystal structure of apo-form of a putative deoxyribose-phosphate aldolase from Toxoplasma gondii ME49 | | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Deoxyribose-phosphate aldolase | | Authors: | Halavaty, A.S, Ruan, J, Minasov, G, Shuvalova, L, Ueno, A, Igarashi, M, Ngo, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-05 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structural and Functional Divergence of the Aldolase Fold in Toxoplasma gondii.
J.Mol.Biol., 427, 2015
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4EQ9
 | | 1.4 Angstrom Crystal Structure of ABC Transporter Glutathione-Binding Protein GshT from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Glutathione | | Descriptor: | ABC transporter substrate-binding protein-amino acid transport, GLUTATHIONE | | Authors: | Minasov, G, Wawrzak, Z, Stogios, P.J, Light, S.H, Kudritska, M, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-04-18 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | 1.4 Angstrom Crystal Structure of Putative ABC Transporter Substrate-Binding Protein from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Glutathione.
TO BE PUBLISHED
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2Q9I
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2PVN
 | | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | | Descriptor: | Casein kinase II subunit alpha, N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE | | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | | Deposit date: | 2007-05-09 | | Release date: | 2008-05-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
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2PVH
 | | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | | Descriptor: | Casein kinase II subunit alpha, N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE | | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | | Deposit date: | 2007-05-09 | | Release date: | 2008-05-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
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2PVM
 | | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | | Descriptor: | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | | Deposit date: | 2007-05-09 | | Release date: | 2008-05-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
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5AWL
 | | CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025 | | Descriptor: | A mutant of Chignolin, CLN025 | | Authors: | Akiba, T, Ishimura, M, Odahara, T, Harata, K, Honda, S. | | Deposit date: | 2015-07-05 | | Release date: | 2015-08-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Crystal structure of a ten-amino acid protein
J.Am.Chem.Soc., 130, 2008
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4F4I
 | | Crystal structure of Thymidylate Kinase from Staphylococcus aureus in apo-form | | Descriptor: | Thymidylate kinase | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI) | | Deposit date: | 2012-05-10 | | Release date: | 2012-05-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of Thymidylate Kinase from Staphylococcus aureus in apo-form
To be Published
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2PVL
 | | Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2 | | Descriptor: | 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha | | Authors: | Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S. | | Deposit date: | 2007-05-09 | | Release date: | 2008-05-13 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17, 2007
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4FCU
 | | 1.9 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii without His-Tag Bound to the Active Site | | Descriptor: | 3-deoxy-manno-octulosonate cytidylyltransferase | | 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: | 2012-05-25 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii without His-Tag Bound to the Active Site.
TO BE PUBLISHED
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2ONL
 | | Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14 | | Authors: | Ter Haar, E. | | Deposit date: | 2007-01-24 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
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2P9T
 | | Crystal Structure of Phosphoglycerate Kinase-2 bound to 3-phosphoglycerate | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase, testis specific | | Authors: | Sawyer, G.M, Monzingo, A.F, Poteet, E.C, Robertus, J.D. | | Deposit date: | 2007-03-26 | | Release date: | 2007-11-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray analysis of phosphoglycerate kinase 2, a sperm-specific isoform from Mus musculus.
Proteins, 71, 2007
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2QMG
 | | Structure of BACE Bound to SCH745966 | | Descriptor: | Beta-secretase 1, D(-)-TARTARIC ACID, N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE | | Authors: | Strickland, C.O, Iserloh, U. | | Deposit date: | 2007-07-16 | | Release date: | 2008-03-18 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
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3VAA
 | | 1.7 Angstrom Resolution Crystal Structure of Shikimate Kinase from Bacteroides thetaiotaomicron | | Descriptor: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2011-12-29 | | Release date: | 2012-01-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 1.7 Angstrom Resolution Crystal Structure of Shikimate Kinase from Bacteroides thetaiotaomicron.
TO BE PUBLISHED
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3NWW
 | | P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor | | Descriptor: | 1-[2-(2-{[2-(dimethylamino)ethyl]amino}-6-{2-[(1-methylethyl)amino]-1,3-thiazol-5-yl}pyrimidin-4-yl)benzyl]-3-ethylurea, Mitogen-activated protein kinase 14 | | Authors: | Sack, J.S. | | Deposit date: | 2010-07-12 | | Release date: | 2010-09-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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