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PDB: 906 件
1QXM
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Crystal structure of a hemagglutinin component (HA1) from type C Clostridium botulinum
分子名称: 1,2-ETHANEDIOL, HA1
著者Inoue, K, Sobhany, M, Transue, T.R, Oguma, K, Pedersen, L.C, Negishi, M.
登録日2003-09-08
公開日2004-01-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analysis by X-ray crystallography and calorimetry of a haemagglutinin component (HA1) of the progenitor toxin from Clostridium botulinum.
Microbiology, 149, 2003
1QZH
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Crystal structure of Pot1 (protection of telomere)- ssDNA complex
分子名称: Protection of telomeres protein 1, telomeric single-stranded DNA
著者Lei, M, Podell, E.R, Baumann, P, Cech, T.R.
登録日2003-09-16
公開日2003-11-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献DNA self-recognition in the structure of Pot1 bound to telomeric single-stranded DNA
Nature, 426, 2003
1OFO
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Crystal Structure of the Tyrosine Regulated 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae in Complex with 2-Phosphoglycolate
分子名称: 2-PHOSPHOGLYCOLIC ACID, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE
著者Koenig, V, Pfeil, A, Heinrich, G, Braus, G, Schneider, T.R.
登録日2003-04-17
公開日2004-04-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism.
J.Mol.Biol., 337, 2004
1OFA
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Crystal structure of the tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from saccharomyces cerevisiae in complex with phosphoenolpyruvate and cobalt(ii)
分子名称: COBALT (II) ION, GLYCEROL, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ...
著者Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R.
登録日2003-04-09
公開日2004-04-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism
J.Mol.Biol., 337, 2004
1OFB
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CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE IN COMPLEX WITH MANGANESE(II)
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE
著者Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R.
登録日2003-04-09
公開日2004-04-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism
J.Mol.Biol., 337, 2004
1OF6
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crystal structure of the tyrosine-regulated 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase from saccharomyces cerevisiae complexed with tyrosine and manganese
分子名称: D-TYROSINE, MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE, ...
著者Koenig, V, Pfeil, A, Heinrich, G, Braus, G, Schneider, T.R.
登録日2003-04-08
公開日2004-05-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Double Complex of the Tyrosine Sensitive Dahp Synthase from Yeast
To be Published
1OK0
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Crystal Structure of Tendamistat
分子名称: ALPHA-AMYLASE INHIBITOR HOE-467A, CHLORIDE ION, GLYCEROL
著者Koenig, V, Vertesy, L, Schneider, T.R.
登録日2003-07-16
公開日2004-01-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Crystal Structure of the Alpha-Amylase Inhibitor Tendamistat at 0.93 A
Acta Crystallogr.,Sect.D, 59, 2003
1OFR
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CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PHENYLALANINE AND MANGANESE
分子名称: MANGANESE (II) ION, PHENYLALANINE, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE
著者Koenig, V, Pfeil, A, Heinrich, G, Braus, G, Schneider, T.R.
登録日2003-04-18
公開日2004-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism.
J.Mol.Biol., 337, 2004
1OG0
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CRYSTAL STRUCTURE OF THE MUTANT G226S OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH PHENYLALANINE AND MANGANESE
分子名称: MANGANESE (II) ION, PHENYLALANINE, Phospho-2-dehydro-3-deoxyheptonate aldolase, ...
著者Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R.
登録日2003-04-22
公開日2004-04-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of the Mutant G226S of the Tyrosine-Regulated 3-Deoxy-D-Arabino-Heptulosonate -7-Phosphate Synthase from Saccharomyces Cerevisiae Complexed with Phenylalanine and Manganese
To be Published
1OFP
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CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE
分子名称: PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE
著者Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R.
登録日2003-04-17
公開日2004-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism
J.Mol.Biol., 337, 2004
1OFQ
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CRYSTAL STRUCTURE OF THE TYROSINE-REGULATED 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-PHOSPHATE SYNTHASE FROM SACCHAROMYCES CEREVISIAE IN COMPLEX WITH MANGANESE(II)
分子名称: MANGANESE (II) ION, PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE
著者Koenig, V, Pfeil, A, Heinrich, G, Braus, G.H, Schneider, T.R.
登録日2003-04-17
公開日2004-04-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Substrate and Metal Complexes of 3-Deoxy-D-Arabino-Heptulosonate-7-Phosphate Synthase from Saccharomyces Cerevisiae Provide New Insights Into the Catalytic Mechanism
J.Mol.Biol., 337, 2004
2VTI
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTR
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
分子名称: 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTJ
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
分子名称: 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTO
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTN
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTQ
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2W1H
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Fragment-Based Discovery of the Pyrazol-4-yl urea (AT9283), a Multi- targeted Kinase Inhibitor with Potent Aurora Kinase Activity
分子名称: CELL DIVISION PROTEIN KINASE 2, N-[3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRAZOL-4-YL]BENZAMIDE
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2VTA
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 1H-indazole, CELL DIVISION PROTEIN KINASE 2, GLYCEROL
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-13
公開日2008-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2WSY
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CRYSTAL STRUCTURE OF WILD-TYPE TRYPTOPHAN SYNTHASE
分子名称: PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE
著者Schneider, T.R, Gerhardt, E, Lee, M, Liang, P.-H, Anderson, K.S, Schlichting, I.
登録日1998-02-18
公開日1999-03-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Loop closure and intersubunit communication in tryptophan synthase.
Biochemistry, 37, 1998
2X58
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The crystal structure of MFE1 liganded with CoA
分子名称: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, GLYCEROL, ...
著者Kasaragod, P, Venkatesan, R, Kiema, T.R, Hiltunen, J.K, Wierenga, R.K.
登録日2010-02-05
公開日2010-05-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The Crystal Structure of Liganded Rat Peroxisomal Multifunctional Enzyme Type 1: A Flexible Molecule with Two Interconnected Active Sites
J.Biol.Chem., 285, 2010
1QOW
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Mersacidin from Bacillus
分子名称: MERSACIDIN, METHANOL
著者Schneider, T.R, Kaercher, J, Sheldrick, G.M.
登録日1999-11-19
公開日2000-05-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Ab initio structure determination of the lantibiotic mersacidin.
Acta Crystallogr.,Sect.D, 56, 2000
2WPU
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Chaperoned ruthenium metallodrugs that recognize telomeric DNA
分子名称: (3AS,4S,6AR)-4-(5-((3R,4R)-3,4-DIAMINOPYRROLIDIN-1-YL)-5-OXOPENTYL)TETRAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-2(3H)-ONE-P-CYMENE-CHLORO-RUTHENIUM(III), GLYCEROL, STREPTAVIDIN, ...
著者Heinisch, T, Schirmer, T, Zimbron, J.M, Sardo, A, Wohlschlager, T, Gradinaru, J, Creus, M, Ward, T.R.
登録日2009-08-10
公開日2010-10-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Chemo-Genetic Optimization of DNA Recognition by Metallodrugs Using a Presenter-Protein Strategy.
Chemistry, 16, 2010
1QYZ
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Characterization of the malformed, recombinant cytochrome rC552
分子名称: 2-ACETYL-PROTOPORPHYRIN IX, Cytochrome c-552
著者Fee, J.A, Todaro, T.R, Luna, E, Sanders, D, Hunsicker-Wang, L.M, Patel, K.M, Bren, K.L, Gomez-Moran, E, Hill, M.G, Ai, J, Loehr, T.M, Oertling, W.A, Williams, P.A, Stout, C.D, McRee, D, Pastuszyn, A.
登録日2003-09-12
公開日2004-09-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Cytochrome rC552, formed during expression of the truncated, Thermus thermophilus cytochrome c552 gene in the cytoplasm of Escherichia coli, reacts spontaneously to form protein-bound 2-formyl-4-vinyl (Spirographis) heme.
Biochemistry, 43, 2004
1QZ0
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Crystal Structure of the Yersinia Pestis Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide
分子名称: ASP-ALA-ASP-GLU-FTY-LEU-NH2, Protein-tyrosine phosphatase yopH
著者Phan, J, Lee, K, Cherry, S, Tropea, J.E, Burke Jr, T.R, Waugh, D.S.
登録日2003-09-15
公開日2003-11-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-Resolution Structure of the Yersinia pestis Protein Tyrosine Phosphatase YopH in Complex with a Phosphotyrosyl Mimetic-Containing Hexapeptide
Biochemistry, 42, 2003

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