6QU5
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![BU of 6qu5 by Molmil](/molmil-images/mine/6qu5) | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb12 | 分子名称: | 1-[(3,4-dichlorophenyl)methyl]imidazole, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | 著者 | McNae, I.W, Dornan, J, Walkinshaw, M.D. | 登録日 | 2019-02-26 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice. Nat Commun, 12, 2021
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6QU3
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![BU of 6qu3 by Molmil](/molmil-images/mine/6qu3) | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb360 | 分子名称: | 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | 著者 | McNae, I.W, Dornan, J, Walkinshaw, M.D. | 登録日 | 2019-02-26 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice. Nat Commun, 12, 2021
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6QU4
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![BU of 6qu4 by Molmil](/molmil-images/mine/6qu4) | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb405 | 分子名称: | 1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | 著者 | McNae, I.W, Dornan, J, Walkinshaw, M.D. | 登録日 | 2019-02-26 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice. Nat Commun, 12, 2021
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6SY7
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![BU of 6sy7 by Molmil](/molmil-images/mine/6sy7) | Structure of Trypanosome Brucei Phosphofructokinase in complex with AMP. | 分子名称: | ADENOSINE MONOPHOSPHATE, ATP-dependent 6-phosphofructokinase, BENZENE, ... | 著者 | McNae, I.W, Vasquez-Valdivieso, M.G, Walkinshaw, M.D. | 登録日 | 2019-09-27 | 公開日 | 2019-12-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Kinetic and structural studies of Trypanosoma and Leishmania phosphofructokinases show evolutionary divergence and identify AMP as a switch regulating glycolysis versus gluconeogenesis. Febs J., 287, 2020
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6GG4
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![BU of 6gg4 by Molmil](/molmil-images/mine/6gg4) | Crystal structure of M2 PYK in complex with Phenyalanine. | 分子名称: | PHENYLALANINE, PHOSPHATE ION, POTASSIUM ION, ... | 著者 | McNae, I.W, Yuan, M, Walkinshaw, M.D. | 登録日 | 2018-05-02 | 公開日 | 2018-05-23 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
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1UZ2
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![BU of 1uz2 by Molmil](/molmil-images/mine/1uz2) | The Cys121Ser Mutant of Beta-Lactoglobulin | 分子名称: | BETA-LACTOGLOBULIN | 著者 | McNae, I, Jayat, D, Haertle, T, Holt, C, Sawyer, L. | 登録日 | 2004-03-03 | 公開日 | 2004-05-20 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | A recombinant C121S mutant of bovine beta-lactoglobulin is more susceptible to peptic digestion and to denaturation by reducing agents and heating. Biochemistry, 43, 2004
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6GG3
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5LUD
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![BU of 5lud by Molmil](/molmil-images/mine/5lud) | Structure of Cyclophilin A in complex with 2,3-Diaminopyridine | 分子名称: | Peptidyl-prolyl cis-trans isomerase, pyridine-2,3-diamine | 著者 | McNae, I.W, Nowicki, M.W, Blackburn, E.A, Wear, M.A, Walkinshaw, M.D. | 登録日 | 2016-09-08 | 公開日 | 2017-04-05 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using BiacoreTM T200. FEBS Open Bio, 7, 2017
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6GG5
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![BU of 6gg5 by Molmil](/molmil-images/mine/6gg5) | Crystal structure of M2 PYK in complex with Tryptophan. | 分子名称: | PHOSPHATE ION, POTASSIUM ION, Pyruvate kinase PKM, ... | 著者 | McNae, I.W, Yuan, M, Walkinshaw, M.D. | 登録日 | 2018-05-02 | 公開日 | 2018-05-23 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
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6GG6
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![BU of 6gg6 by Molmil](/molmil-images/mine/6gg6) | Crystal structure of M2 PYK in complex with Serine. | 分子名称: | MAGNESIUM ION, PHOSPHATE ION, POTASSIUM ION, ... | 著者 | McNae, I.W, Yuan, M, Walkinshaw, M.D. | 登録日 | 2018-05-02 | 公開日 | 2018-05-23 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor. Biochem. J., 475, 2018
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1T3P
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![BU of 1t3p by Molmil](/molmil-images/mine/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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2H9J
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![BU of 2h9j by Molmil](/molmil-images/mine/2h9j) | Structure of Hen egg white lysozyme soaked with Ni2-Xylylbicyclam | 分子名称: | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZACYCLOTETRADECANE]NI(II), CHLORIDE ION, Lysozyme C, ... | 著者 | McNae, I.W, Hunter, T.M, Sadler, P.J, Walkinshaw, M.D. | 登録日 | 2006-06-10 | 公開日 | 2007-04-10 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Configurations of nickel-cyclam antiviral complexes and protein recognition. Chemistry, 13, 2007
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2H9K
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![BU of 2h9k by Molmil](/molmil-images/mine/2h9k) | Structure of Hen egg white lysozyme soaked with Ni-cyclam | 分子名称: | CHLORIDE ION, Lysozyme C, NICKEL(II)(1,4,8,11-TETRAAZACYCLOTETRADECANE), ... | 著者 | McNae, I.W, Hunter, T.M, Sadler, P.J, Walkinshaw, M.D. | 登録日 | 2006-06-10 | 公開日 | 2007-04-10 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Configurations of nickel-cyclam antiviral complexes and protein recognition. Chemistry, 13, 2007
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3PJ8
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![BU of 3pj8 by Molmil](/molmil-images/mine/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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3F5M
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![BU of 3f5m by Molmil](/molmil-images/mine/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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3FJP
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![BU of 3fjp by Molmil](/molmil-images/mine/3fjp) | Apo structure of Biotin protein ligase from Aquifex aeolicus | 分子名称: | Biotin [acetyl-CoA-carboxylase] ligase, SULFATE ION | 著者 | McNae, I.W, Tron, C.M, Baxter, R.L, Walkinshaw, M.D, Campopiano, D.J. | 登録日 | 2008-12-15 | 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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4N1P
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4N1N
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4N1S
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4N1O
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4N1R
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4N1M
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4N1Q
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5NOV
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![BU of 5nov by Molmil](/molmil-images/mine/5nov) | Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione | 分子名称: | 1,3-diazinane-2-thione, Peptidyl-prolyl cis-trans isomerase A | 著者 | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | 登録日 | 2017-04-13 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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5NOZ
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![BU of 5noz by Molmil](/molmil-images/mine/5noz) | Structure of cyclophilin A in complex with 3,4-diaminobenzohydrazide | 分子名称: | 3,4-bis(azanyl)benzohydrazide, Peptidyl-prolyl cis-trans isomerase A | 著者 | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | 登録日 | 2017-04-13 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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