2C5Y
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![BU of 2c5y by Molmil](/molmil-images/mine/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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5NOT
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![BU of 5not by Molmil](/molmil-images/mine/5not) | Structure of cyclophilin A in complex with 4-chloropyrimidin-5-amine | 分子名称: | 4-chloranylpyrimidin-5-amine, 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 (1.45 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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5NOX
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![BU of 5nox by Molmil](/molmil-images/mine/5nox) | Structure of cyclophilin A in complex with 2-chloropyridin-3-amine | 分子名称: | 2-chloranylpyridin-3-amine, 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 (1.49 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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5NOQ
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![BU of 5noq by Molmil](/molmil-images/mine/5noq) | Structure of cyclophilin A in complex with 3-chloropyridin-2-amine | 分子名称: | 3-chloranylpyridin-2-amine, 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 (1.6 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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5NOU
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![BU of 5nou by Molmil](/molmil-images/mine/5nou) | Structure of cyclophilin A in complex with hexahydropyrimidin-2-one | 分子名称: | 1,3-diazinan-2-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.3 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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5NOS
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![BU of 5nos by Molmil](/molmil-images/mine/5nos) | Structure of cyclophilin A in complex with 3-amino-1H-pyridin-2-one | 分子名称: | 5-azanyl-3~{H}-pyridin-6-one, 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 (1.35 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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5NOR
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![BU of 5nor by Molmil](/molmil-images/mine/5nor) | Structure of cyclophilin A in complex with 3-methylpyridin-2-amine | 分子名称: | 3-methylpyridin-2-amine, 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 (1.8 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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5NOY
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![BU of 5noy by Molmil](/molmil-images/mine/5noy) | Structure of cyclophilin A in complex with 3,4-diaminobenzamide | 分子名称: | 3,4-bis(azanyl)benzamide, 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 (1.43 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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1PXJ
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![BU of 1pxj by Molmil](/molmil-images/mine/1pxj) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine | 分子名称: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-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 (2.3 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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1PXK
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![BU of 1pxk by Molmil](/molmil-images/mine/1pxk) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide | 分子名称: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | 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 (2.8 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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1PXL
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![BU of 1pxl by Molmil](/molmil-images/mine/1pxl) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine | 分子名称: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]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 (2.5 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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1PXI
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![BU of 1pxi by Molmil](/molmil-images/mine/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
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![BU of 1pw2 by Molmil](/molmil-images/mine/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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3QV8
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![BU of 3qv8 by Molmil](/molmil-images/mine/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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3QV7
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![BU of 3qv7 by Molmil](/molmil-images/mine/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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3QV6
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![BU of 3qv6 by Molmil](/molmil-images/mine/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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3IGY
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![BU of 3igy by Molmil](/molmil-images/mine/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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3IGZ
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![BU of 3igz by Molmil](/molmil-images/mine/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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5OFU
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![BU of 5ofu by Molmil](/molmil-images/mine/5ofu) | Crystal structure of Leishmania major fructose-1,6-bisphosphatase in T-state. | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | 著者 | Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | 登録日 | 2017-07-11 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition. J. Mol. Biol., 429, 2017
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3I2Z
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![BU of 3i2z by Molmil](/molmil-images/mine/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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5OEY
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![BU of 5oey by Molmil](/molmil-images/mine/5oey) | Crystal structure of Leishmania major fructose-1,6-bisphosphatase in holo form. | 分子名称: | CITRIC ACID, FBP protein, MANGANESE (II) ION, ... | 著者 | Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | 登録日 | 2017-07-10 | 公開日 | 2017-09-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition. J. Mol. Biol., 429, 2017
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3SRK
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![BU of 3srk by Molmil](/molmil-images/mine/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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3QV9
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![BU of 3qv9 by Molmil](/molmil-images/mine/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
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![BU of 3srd by Molmil](/molmil-images/mine/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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3SRF
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![BU of 3srf by Molmil](/molmil-images/mine/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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