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4EG9
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1.9 Angstrom resolution crystal structure of Se-methionine hypothetical protein SAOUHSC_02783 from Staphylococcus aureus
分子名称: CALCIUM ION, Uncharacterized protein SAOUHSC_02783
著者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)
登録日2012-03-30
公開日2012-04-11
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献1.9 Angstrom resolution crystal structure of Se-methionine hypothetical protein SAOUHSC_02783 from Staphylococcus aureus
TO BE PUBLISHED
2PVK
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Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: 2-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
4ERR
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BU of 4err by Molmil
1.55 Angstrom Crystal Structure of the Four Helical Bundle Membrane Localization Domain (4HBM) of the Vibrio vulnificus MARTX Effector Domain DUF5
分子名称: Autotransporter adhesin, BROMIDE ION, CHLORIDE ION
著者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)
登録日2012-04-20
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
2PVJ
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Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: 2-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
4DWJ
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BU of 4dwj by Molmil
Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with Thymidine Monophosphate
分子名称: THYMIDINE-5'-PHOSPHATE, Thymidylate kinase
著者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)
登録日2012-02-24
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Crystal structure of Thymidylate Kinase from Staphylococcus aureus in complex with Thymidine Monophosphate
To be Published
4EDP
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BU of 4edp by Molmil
1.85 Angstrom resolution crystal structure of an ABC transporter from Clostridium perfringens ATCC 13124
分子名称: ABC transporter, substrate-binding protein, ACETATE ION, ...
著者Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-03-27
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献1.85 Angstrom resolution crystal structure of an ABC transporter from Clostridium perfringens ATCC 13124
To be Published
4DB3
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1.95 Angstrom Resolution Crystal Structure of N-acetyl-D-glucosamine kinase from Vibrio vulnificus.
分子名称: CHLORIDE ION, GLYCEROL, N-acetyl-D-glucosamine kinase, ...
著者Minasov, G, Wawrzak, Z, Onopriyenko, O, Skarina, T, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-13
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献1.95 Angstrom Resolution Crystal Structure of N-acetyl-D-glucosamine kinase from Vibrio vulnificus.
TO BE PUBLISHED
2OKR
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BU of 2okr by Molmil
Crystal Structure of the P38a-MAPKAP kinase 2 Heterodimer
分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
著者Ter Haar, E.
登録日2007-01-17
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
4DXE
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BU of 4dxe by Molmil
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
分子名称: Acyl carrier protein, MALONATE ION, acyl-carrier-protein synthase
著者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)
登録日2012-02-27
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献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
4DD5
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BU of 4dd5 by Molmil
Biosynthetic Thiolase (ThlA1) from Clostridium difficile
分子名称: Acetyl-CoA acetyltransferase
著者Filippova, E.V, Wawrzak, Z, Kudritska, M, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-01-18
公開日2012-02-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Biosynthetic Thiolase (ThlA1) from Clostridium difficile
To be Published
4EIV
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BU of 4eiv by Molmil
1.37 Angstrom resolution crystal structure of apo-form of a putative deoxyribose-phosphate aldolase from Toxoplasma gondii ME49
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Deoxyribose-phosphate aldolase
著者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)
登録日2012-04-05
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Structural and Functional Divergence of the Aldolase Fold in Toxoplasma gondii.
J.Mol.Biol., 427, 2015
4EQ9
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1.4 Angstrom Crystal Structure of ABC Transporter Glutathione-Binding Protein GshT from Streptococcus pneumoniae strain Canada MDR_19A in Complex with Glutathione
分子名称: ABC transporter substrate-binding protein-amino acid transport, GLUTATHIONE
著者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)
登録日2012-04-18
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
2Q9I
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BU of 2q9i by Molmil
Crystal Structure of D-Dimer from Human Fibrin Complexed with Met-His-Arg-Pro-Tyr-amide.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrin B Knob (GHRPam), ...
著者Doolittle, R.F, Pandi, L.
登録日2007-06-12
公開日2007-12-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Probing the beta-chain hole of fibrinogen with synthetic peptides that differ at their amino termini
Biochemistry, 46, 2007
2PVN
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BU of 2pvn by Molmil
Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: Casein kinase II subunit alpha, N-(3-(8-CYANO-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZIN-2-YLAMINO)PHENYL)ACETAMIDE
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
2PVH
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Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: Casein kinase II subunit alpha, N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
2PVM
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BU of 2pvm by Molmil
Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
5AWL
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BU of 5awl by Molmil
CRYSTAL STRUCTURE OF A MUTANT OF CHIGNOLIN, CLN025
分子名称: A mutant of Chignolin, CLN025
著者Akiba, T, Ishimura, M, Odahara, T, Harata, K, Honda, S.
登録日2015-07-05
公開日2015-08-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Crystal structure of a ten-amino acid protein
J.Am.Chem.Soc., 130, 2008
4F4I
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BU of 4f4i by Molmil
Crystal structure of Thymidylate Kinase from Staphylococcus aureus in apo-form
分子名称: Thymidylate kinase
著者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)
登録日2012-05-10
公開日2012-05-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of Thymidylate Kinase from Staphylococcus aureus in apo-form
To be Published
2PVL
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Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2
分子名称: 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE, Casein kinase II subunit alpha
著者Nie, Z, Perretta, C, Erickson, P, Margosiak, S, Almassy, R, Lu, J, Averill, A, Yager, K.M, Chu, S.
登録日2007-05-09
公開日2008-05-13
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
4FCU
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BU of 4fcu by Molmil
1.9 Angstrom Crystal Structure of 3-deoxy-manno-octulosonate Cytidylyltransferase (kdsB) from Acinetobacter baumannii without His-Tag Bound to the Active Site
分子名称: 3-deoxy-manno-octulosonate cytidylyltransferase
著者Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-05-25
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
2ONL
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BU of 2onl by Molmil
Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer
分子名称: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
著者Ter Haar, E.
登録日2007-01-24
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
2P9T
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Crystal Structure of Phosphoglycerate Kinase-2 bound to 3-phosphoglycerate
分子名称: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase, testis specific
著者Sawyer, G.M, Monzingo, A.F, Poteet, E.C, Robertus, J.D.
登録日2007-03-26
公開日2007-11-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray analysis of phosphoglycerate kinase 2, a sperm-specific isoform from Mus musculus.
Proteins, 71, 2007
2QMG
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Structure of BACE Bound to SCH745966
分子名称: 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
著者Strickland, C.O, Iserloh, U.
登録日2007-07-16
公開日2008-03-18
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
3VAA
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BU of 3vaa by Molmil
1.7 Angstrom Resolution Crystal Structure of Shikimate Kinase from Bacteroides thetaiotaomicron
分子名称: BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Minasov, G, Light, S.H, Halavaty, A, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-12-29
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献1.7 Angstrom Resolution Crystal Structure of Shikimate Kinase from Bacteroides thetaiotaomicron.
TO BE PUBLISHED
3NWW
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P38 Alpha kinase complexed with a 2-aminothiazol-5-yl-pyrimidine based inhibitor
分子名称: 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
著者Sack, J.S.
登録日2010-07-12
公開日2010-09-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献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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