5ES3
| Co-crystal structure of LDH liganded with oxamate | 分子名称: | L-lactate dehydrogenase A chain, OXAMIC ACID | 著者 | Nowicki, M.W, Wear, M.A, McNae, I.W, Blackburn, E.A. | 登録日 | 2015-11-16 | 公開日 | 2016-01-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | A Streamlined, Automated Protocol for the Production of Milligram Quantities of Untagged Recombinant Rat Lactate Dehydrogenase A Using AKTAxpressTM. Plos One, 10, 2015
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2QIJ
| Hepatitis B Capsid Protein with an N-terminal extension modelled into 8.9 A data. | 分子名称: | Core antigen | 著者 | Tan, W.S, McNae, I.W, Ho, K.L, Walkinshaw, M.D. | 登録日 | 2007-07-04 | 公開日 | 2007-12-11 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (8.9 Å) | 主引用文献 | Crystallization and X-ray analysis of the T = 4 particle of hepatitis B capsid protein with an N-terminal extension. Acta Crystallogr.,Sect.F, 63, 2007
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4HYV
| Pyruvate kinase (PYK) from Trypanosoma brucei in the presence of Magnesium, PEP and F26BP | 分子名称: | 2,6-di-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, GLYCEROL, ... | 著者 | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | 登録日 | 2012-11-14 | 公開日 | 2013-09-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | `In crystallo' substrate binding triggers major domain movements and reveals magnesium as a co-activator of Trypanosoma brucei pyruvate kinase. Acta Crystallogr.,Sect.D, 69, 2013
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4HYW
| Pyruvate kinase (PYK) from Trypanosoma brucei in the presence of Magnesium and F26BP | 分子名称: | 2,6-di-O-phosphono-beta-D-fructofuranose, CHLORIDE ION, GLYCEROL, ... | 著者 | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | 登録日 | 2012-11-14 | 公開日 | 2013-09-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | `In crystallo' substrate binding triggers major domain movements and reveals magnesium as a co-activator of Trypanosoma brucei pyruvate kinase. Acta Crystallogr.,Sect.D, 69, 2013
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1YIK
| Structure of Hen egg white lysozyme soaked with Cu-cyclam | 分子名称: | 1,4,8,11-TETRAAZA-CYCLOTETRADECANE CU(II), ACETATE ION, CHLORIDE ION, ... | 著者 | Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J. | 登録日 | 2005-01-12 | 公開日 | 2005-02-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme Proc.Natl.Acad.Sci.Usa, 102, 2005
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2A0C
| Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor | 分子名称: | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2 | 著者 | Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M. | 登録日 | 2005-06-16 | 公開日 | 2006-01-24 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor Cell.Mol.Life Sci., 62, 2005
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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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1YIL
| Structure of Hen egg white lysozyme soaked with Cu2-Xylylbicyclam | 分子名称: | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZA-CYCLOTETRADECANE]CU(II)2, CHLORIDE ION, Lysozyme C, ... | 著者 | Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J. | 登録日 | 2005-01-12 | 公開日 | 2005-02-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme Proc.Natl.Acad.Sci.Usa, 102, 2005
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1PXO
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine | 分子名称: | Cell division protein kinase 2, [4-(2-AMINO-4-METHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-AMINE | 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 (1.96 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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1PXM
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 3-[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamino]-phenol | 分子名称: | 3-[4-(2,4-DIMETHYL-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, 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 (2.53 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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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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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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2HIG
| Crystal Structure of Phosphofructokinase apoenzyme from Trypanosoma brucei. | 分子名称: | 6-phospho-1-fructokinase, SODIUM ION | 著者 | Martinez-Oyanedel, J, McNae, I.W, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | 登録日 | 2006-06-29 | 公開日 | 2007-02-13 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The First Crystal Structure of Phosphofructokinase from a Eukaryote: Trypanosoma brucei. J.Mol.Biol., 366, 2007
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2V8Y
| Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives | 分子名称: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1, P-FLUORO-7-BENZYL GUANINE MONOPHOSPHATE | 著者 | Brown, C.J, Mcnae, I, Fischer, P.M, Walkinshaw, M.D. | 登録日 | 2007-08-16 | 公開日 | 2007-08-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives. J.Mol.Biol., 372, 2007
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2V8W
| Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives | 分子名称: | EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE | 著者 | Brown, C.J, Mcnae, I, Fischer, P.M, Walkinshaw, M.D. | 登録日 | 2007-08-16 | 公開日 | 2007-08-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives. J.Mol.Biol., 372, 2007
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2V8X
| Crystallographic and mass spectrometric characterisation of eIF4E with N7-cap derivatives | 分子名称: | 7-BENZYL GUANINE MONOPHOSPHATE, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E, EUKARYOTIC TRANSLATION INITIATION FACTOR 4E-BINDING PROTEIN 1 | 著者 | Brown, C.J, Mcnae, I, Fischer, P.M, Walkinshaw, M.D. | 登録日 | 2007-08-16 | 公開日 | 2007-08-28 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystallographic and Mass Spectrometric Characterisation of Eif4E with N(7)-Alkylated CAP Derivatives. J.Mol.Biol., 372, 2007
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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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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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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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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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4KCT
| Pyruvate kinase (PYK) from Trypanosoma brucei soaked with Oxaloacetate | 分子名称: | 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | 著者 | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | 登録日 | 2013-04-24 | 公開日 | 2014-01-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Pyruvate kinases have an intrinsic and conserved decarboxylase activity. Biochem.J., 458, 2014
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1PXI
| HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,5-Dichloro-thiophen-3-yl)-pyrimidin-2-ylamine | 分子名称: | 4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-2-AMINE, Cell division protein kinase 2 | 著者 | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | 登録日 | 2003-07-04 | 公開日 | 2003-12-09 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop Structure, 11, 2003
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1PW2
| APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2 | 分子名称: | Cell division protein kinase 2 | 著者 | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | 登録日 | 2003-06-30 | 公開日 | 2003-12-09 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the
activation loop. Structure, 11, 2003
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