3F5M
 
 | | Crystal Structure of ATP-Bound Phosphofructokinase from Trypanosoma brucei | | 分子名称: | 6-phospho-1-fructokinase (ATP-dependent phosphofructokinase), ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | 著者 | McNae, I.W, Martinez-Oyanedel, J, Keillor, J.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2008-11-04 | | 公開日 | 2008-11-25 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The crystal structure of ATP-bound phosphofructokinase from Trypanosoma brucei reveals conformational transitions different from those of other phosphofructokinases.
J.Mol.Biol., 385, 2009
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3HQO
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3HQN
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3HOT
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3HOS
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3SRK
 | | A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase | | 分子名称: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, POTASSIUM ION, Pyruvate kinase, ... | | 著者 | Morgan, H.P, Walsh, M, Blackburn, E.A, Wear, M.A, Boxer, M, Shen, M, McNae, I.W, Michels, P.A.M, Auld, D.S, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-07-07 | | 公開日 | 2012-07-18 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | A new class of suicide inhibitor blocks nucleotide binding to pyruvate kinase
To be Published
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3FWU
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4N1Q
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3QV7
 | | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with ponceau S and acid blue 25. | | 分子名称: | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid, POTASSIUM ION, ... | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-02-25 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
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1JRZ
 | | Crystal structure of Arg402Tyr mutant flavocytochrome c3 from Shewanella frigidimarina | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ... | | 著者 | Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | 登録日 | 2001-08-15 | | 公開日 | 2001-11-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase.
Biochemistry, 40, 2001
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1JRY
 | | Crystal structure of Arg402Lys mutant flavocytochrome c3 from Shewanella frigidimarina | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ... | | 著者 | Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | 登録日 | 2001-08-15 | | 公開日 | 2001-11-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase.
Biochemistry, 40, 2001
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1JRX
 | | Crystal structure of Arg402Ala mutant flavocytochrome c3 from Shewanella frigidimarina | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C, FUMARIC ACID, ... | | 著者 | Mowat, C.G, Moysey, R, Miles, C.S, Leys, D, Doherty, M.K, Taylor, P, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | 登録日 | 2001-08-15 | | 公開日 | 2001-11-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Kinetic and crystallographic analysis of the key active site acid/base arginine in a soluble fumarate reductase.
Biochemistry, 40, 2001
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3PJ8
 | | Structure of CDK2 in complex with a Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine. | | 分子名称: | (2R)-2-{[7-(benzylamino)-3-(propan-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}butan-1-ol, Cell division protein kinase 2 | | 著者 | McNae, I.W, Jorda, R, Havlicek, L, Strnad, M, Voller, J, Walkinshaw, M.D, Krystof, V. | | 登録日 | 2010-11-09 | | 公開日 | 2011-04-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine: Evaluation of a Novel Selective Inhibitor of Cyclin-Dependent Kinases with Antiproliferative Activity.
J.Med.Chem., 54, 2011
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4KRZ
 | | Apo crystal structure of pyruvate kinase (PYK) from Trypanosoma cruzi | | 分子名称: | GLYCEROL, POTASSIUM ION, Pyruvate kinase | | 著者 | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2013-05-17 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
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4KS0
 | | Pyruvate kinase (PYK) from Trypanosoma cruzi in the presence of Magnesium, oxalate and F26BP | | 分子名称: | 2,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, OXALATE ION, ... | | 著者 | Morgan, H.P, Zhong, W, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2013-05-17 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structures of pyruvate kinases display evolutionarily divergent allosteric strategies.
R Soc Open Sci, 1, 2014
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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 | 2023-08-23 | | 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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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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3QV6
 | | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with acid blue 80. | | 分子名称: | 3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-02-25 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
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3QV8
 | | Crystal structure of Leishmania mexicana pyruvate kinase(LmPYK)in complex with benzothiazole-2,5-disulfonic acid. | | 分子名称: | 1,3-benzothiazole-2,5-disulfonic acid, PHOSPHATE ION, Pyruvate kinase | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-02-25 | | 公開日 | 2011-06-29 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
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3PP7
 | | Crystal structure of Leishmania mexicana pyruvate kinase in complex with the drug suramin, an inhibitor of glycolysis. | | 分子名称: | 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, GLYCEROL, POTASSIUM ION, ... | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2010-11-24 | | 公開日 | 2010-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
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1OKW
 | | Cyclin A binding groove inhibitor Ac-Arg-Arg-Leu-Asn-(m-Cl-Phe)-NH2 | | 分子名称: | ACE-ARG-ARG-LEU-ASN-FCL-NH2, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2 | | 著者 | Kontopidis, G, Andrews, M, McInnes, C, Cowan, A, Powers, H, Innes, L, Plater, A, Griffiths, G, Paterson, D, Zheleva, D, Lane, D, Green, S, Walkinshaw, M, Fischer, P. | | 登録日 | 2003-07-31 | | 公開日 | 2003-12-11 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Insights Into Cyclin Groove Recognition. Complex Crystal Structures and Inhibitor Design Through Ligand Exchange
Structure, 11, 2003
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3SRF
 | | Human M1 pyruvate kinase | | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-07-07 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.845 Å) | | 主引用文献 | Allosetric regulation of M2 pyruvate kinase.
To be Published
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3QV9
 | | Crystal structure of Trypanosoma cruzi pyruvate kinase(TcPYK)in complex with ponceau S. | | 分子名称: | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid, PHOSPHATE ION, POTASSIUM ION, ... | | 著者 | Morgan, H.P, Auld, D.S, McNae, I.W, Nowicki, M.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-02-25 | | 公開日 | 2011-07-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site.
J.Biol.Chem., 286, 2011
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3SRD
 | | Human M2 pyruvate kinase in complex with fructose 1-6 bisphosphate and Oxalate. | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Morgan, H.P, O'Reilly, F, Palmer, R, McNae, I.W, Nowicki, M.W, Wear, M.A, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | 登録日 | 2011-07-07 | | 公開日 | 2012-08-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | | 主引用文献 | Allosetric regulation of M2 pyruvate kinase.
To be Published
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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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