1PXN
 
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | | 分子名称: | 4-[4-(4-METHYL-2-METHYLAMINO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-PHENOL, Cell division protein kinase 2 | | 著者 | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2003-07-04 | | 公開日 | 2004-04-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1PXP
 | | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-N',N'-dimethyl-benzene-1,4-diamine | | 分子名称: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | | 著者 | Wang, S, Meades, C, Wood, G, Osnowski, A, Anderson, S, Yuill, R, Thomas, M, Mezna, M, Jackson, W, Midgley, C, Griffiths, G, McNae, I, Wu, S.Y, McInnes, C, Zheleva, D, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2003-07-04 | | 公開日 | 2004-04-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | 2-Anilino-4-(thiazol-5-yl)pyrimidine CDK inhibitors: synthesis, SAR analysis, X-ray crystallography, and biological activity.
J.Med.Chem., 47, 2004
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1SP3
 | | Crystal structure of octaheme cytochrome c from Shewanella oneidensis | | 分子名称: | HEME C, THIOCYANATE ION, cytochrome c, ... | | 著者 | Mowat, C.G, Rothery, E, Miles, C.S, McIver, L, Doherty, M.K, Drewette, K, Taylor, P, Walkinshaw, M.D, Chapman, S.K, Reid, G.A. | | 登録日 | 2004-03-16 | | 公開日 | 2004-09-21 | | 最終更新日 | 2021-03-03 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Octaheme tetrathionate reductase is a respiratory enzyme with novel heme ligation.
Nat.Struct.Mol.Biol., 11, 2004
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1SZE
 | | L230A mutant flavocytochrome b2 with benzoylformate | | 分子名称: | BENZOYL-FORMIC ACID, Cytochrome b2, mitochondrial, ... | | 著者 | Mowat, C.G, Wehenkel, A, Green, A.J, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | 登録日 | 2004-04-05 | | 公開日 | 2004-07-27 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Altered Substrate Specificity in Flavocytochrome b(2): Structural Insights into the Mechanism of l-Lactate Dehydrogenation
Biochemistry, 43, 2004
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3I2Z
 | | Structure of cold shock protein E from Salmonella typhimurium | | 分子名称: | RNA chaperone, negative regulator of cspA transcription | | 著者 | Morgan, H.P, McNae, I, Wear, M.A, Gallagher, M, Walkinshaw, M.D. | | 登録日 | 2009-06-30 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystallization and X-ray structure of cold-shock protein E from Salmonella typhimurium
Acta Crystallogr.,Sect.F, 65, 2009
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3IGZ
 | | Crystal structures of Leishmania mexicana phosphoglycerate mutase at low cobalt concentration | | 分子名称: | 2-PHOSPHOGLYCERIC ACID, 3-PHOSPHOGLYCERIC ACID, COBALT (II) ION, ... | | 著者 | Nowicki, M.W, Kuaprasert, B, McNae, I.W, Morgan, H.P, Harding, M.M, Michels, P.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2009-07-29 | | 公開日 | 2009-10-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structures of Leishmania mexicana phosphoglycerate mutase suggest a one-metal mechanism and a new enzyme subclass
J.Mol.Biol., 394, 2009
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3HOT
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3HQQ
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3HOS
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3HQP
 | | Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK) in complex with ATP, Oxalate and fructose 2,6 bisphosphate | | 分子名称: | 2,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | 著者 | Morgan, H.P, Walkinshaw, M.D. | | 登録日 | 2009-06-08 | | 公開日 | 2010-02-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The allosteric mechanism of pryuvate kinase from Leishmania mexicana: a rock and lock model
J.Biol.Chem., 285, 2010
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3IGY
 | | Crystal structures of Leishmania mexicana phosphoglycerate mutase at high cobalt concentrations | | 分子名称: | 2-PHOSPHOGLYCERIC ACID, 3-PHOSPHOGLYCERIC ACID, COBALT (II) ION, ... | | 著者 | Nowicki, M.W, Kuaprasert, B, McNae, I.W, Morgan, H.P, Harding, M.M, Michels, P.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2009-07-29 | | 公開日 | 2009-10-27 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.003 Å) | | 主引用文献 | Crystal structures of Leishmania mexicana phosphoglycerate mutase suggest a one-metal mechanism and a new enzyme subclass
J.Mol.Biol., 394, 2009
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1SZG
 | | A198G:L230A flavocytochrome b2 with sulfite bound | | 分子名称: | Cytochrome b2, mitochondrial, N-SULFO-FLAVIN MONONUCLEOTIDE | | 著者 | Mowat, C.G, Wehenkel, A, Green, A.J, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | 登録日 | 2004-04-05 | | 公開日 | 2004-07-27 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Altered Substrate Specificity in Flavocytochrome b(2): Structural Insights into the Mechanism of l-Lactate Dehydrogenation
Biochemistry, 43, 2004
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1SZF
 | | A198G:L230A mutant flavocytochrome b2 with pyruvate bound | | 分子名称: | Cytochrome b2, mitochondrial, FLAVIN MONONUCLEOTIDE, ... | | 著者 | Mowat, C.G, Wehenkel, A, Green, A.J, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | 登録日 | 2004-04-05 | | 公開日 | 2004-07-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Altered Substrate Specificity in Flavocytochrome b(2): Structural Insights into the Mechanism of l-Lactate Dehydrogenation
Biochemistry, 43, 2004
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3HQO
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3HQN
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1T3P
 | | Half-sandwich arene ruthenium(II)-enzyme complex | | 分子名称: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | | 著者 | McNae, I.W, Fishburne, K, Habtemariam, A, Hunter, T.M, Melchart, M, Wang, F, Walkinshaw, M.D, Sadler, P.J. | | 登録日 | 2004-04-27 | | 公開日 | 2005-07-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Half-sandwich arene ruthenium(II)-enzyme complex
CHEM.COMMUN.(CAMB.), 16, 2004
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3EFR
 | | Biotin protein ligase R40G mutant from Aquifex aeolicus in complex with biotin | | 分子名称: | BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION | | 著者 | Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J. | | 登録日 | 2008-09-10 | | 公開日 | 2009-06-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
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2C5Y
 | | DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | | 著者 | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2005-11-03 | | 公開日 | 2006-03-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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3EFS
 | | Biotin protein ligase from Aquifex aeolicus in complex with biotin and ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, BIOTIN, Biotin [acetyl-CoA-carboxylase] ligase, ... | | 著者 | Tron, C.M, McNae, I.W, Walkinshaw, M.D, Baxter, R.L, Campopiano, D.J. | | 登録日 | 2008-09-10 | | 公開日 | 2009-06-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and functional studies of the biotin protein ligase from Aquifex aeolicus reveal a critical role for a conserved residue in target specificity.
J.Mol.Biol., 387, 2009
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2C5O
 | | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | | 分子名称: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | 著者 | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2005-10-30 | | 公開日 | 2006-03-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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2C5X
 | | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM | | 著者 | Kontopidis, G, Mcinnes, C, Pandalaneni, S.R, Mcnae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2005-11-03 | | 公開日 | 2006-03-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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2C5V
 | | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | | 分子名称: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE, ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ... | | 著者 | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2005-11-02 | | 公開日 | 2006-03-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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2C5N
 | | Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE | | 著者 | Kontopidis, G, McInnes, C, Pandalaneni, S.R, McNae, I, Gibson, D, Mezna, M, Thomas, M, Wood, G, Wang, S, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2005-10-30 | | 公開日 | 2006-03-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Differential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Chem.Biol., 13, 2006
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2BL9
 | | X-ray crystal structure of Plasmodium vivax dihydrofolate reductase in complex with pyrimethamine and its derivative | | 分子名称: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE-THYMIDYLATE SYNTHASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Kongsaeree, P, Khongsuk, P, Leartsakulpanich, U, Chitnumsub, P, Tarnchompoo, B, Walkinshaw, M.D, Yuthavong, Y. | | 登録日 | 2005-03-02 | | 公開日 | 2005-09-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal Structure of Dihydrofolate Reductase from Plasmodium Vivax: Pyrimethamine Displacement Linked with Mutation-Induced Resistance.
Proc.Natl.Acad.Sci.USA, 102, 2005
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3C2I
 | | The Crystal Structure of Methyl-CpG Binding Domain of Human MeCP2 in Complex with a Methylated DNA Sequence from BDNF | | 分子名称: | DNA (5'-D(*DAP*DTP*DAP*DGP*DAP*DAP*DGP*DAP*DAP*DTP*DTP*DCP*(5CM)P*DGP*DTP*DTP*DCP*DCP*DAP*DG)-3'), DNA (5'-D(*DTP*DCP*DTP*DGP*DGP*DAP*DAP*(5CM)P*DGP*DGP*DAP*DAP*DTP*DTP*DCP*DTP*DTP*DCP*DTP*DA)-3'), Methyl-CpG-binding protein 2 | | 著者 | Ho, K.L, McNae, I.W, Schmiedeberg, L, Klose, R.J, Bird, A.P, Walkinshaw, M.D. | | 登録日 | 2008-01-25 | | 公開日 | 2008-05-13 | | 最終更新日 | 2021-11-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | MeCP2 binding to DNA depends upon hydration at methyl-CpG
Mol.Cell, 29, 2008
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