2HUO
 
 | | Crystal structure of mouse myo-inositol oxygenase in complex with substrate | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, FE (III) ION, FORMIC ACID, ... | | Authors: | Brown, P.M, Caradoc-Davies, T.T, Dickson, J.M.J, Cooper, G.J.S, Loomes, K.M, Baker, E.N. | | Deposit date: | 2006-07-27 | | Release date: | 2006-09-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a substrate complex of myo-inositol oxygenase, a di-iron oxygenase with a key role in inositol metabolism.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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1X8B
 | | Structure of human Wee1A kinase: kinase domain complexed with inhibitor PD0407824 | | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, MAGNESIUM ION, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2004-08-17 | | Release date: | 2005-06-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure and inhibition of the human cell cycle checkpoint kinase, Wee1A kinase: an atypical tyrosine kinase with a key role in CDK1 regulation
Structure, 13, 2005
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2IO6
 | | Wee1 kinase complexed with inhibitor PD330961 | | Descriptor: | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2006-10-10 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
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2IN6
 | | Wee1 kinase complex with inhibitor PD311839 | | Descriptor: | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2006-10-05 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
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3ZZM
 | | Crystal structure of Mycobacterium tuberculosis PurH with a novel bound nucleotide CFAIR, at 2.2 A resolution. | | Descriptor: | 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, GLYCEROL, ... | | Authors: | Le Nours, J, Bulloch, E.M.M, Zhang, Z, Greenwood, D.R, Middleditch, M.J, Dickson, J.M.J, Baker, E.N. | | Deposit date: | 2011-09-02 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Analyses of a Purine Biosynthetic Enzyme from Mycobacterium Tuberculosis Reveal a Novel Bound Nucleotide.
J.Biol.Chem., 286, 2011
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4A1O
 | | Crystal structure of Mycobacterium tuberculosis PurH complexed with AICAR and a novel nucleotide CFAIR, at 2.48 A resolution. | | Descriptor: | 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, ... | | Authors: | Le Nours, J, Bulloch, E.M.M, Zhang, Z, Greenwood, D.R, Middleditch, M.J, Dickson, J.M.J, Baker, E.N. | | Deposit date: | 2011-09-17 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural Analyses of a Purine Biosynthetic Enzyme from Mycobacterium Tuberculosis Reveal a Novel Bound Nucleotide.
J.Biol.Chem., 286, 2011
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4ZAU
 | | AZD9291 complex with wild type EGFR | | Descriptor: | Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide | | Authors: | Squire, C.J, Yosaatmadja, Y, Flanagan, J.U, McKeage, M. | | Deposit date: | 2015-04-14 | | Release date: | 2015-11-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Binding mode of the breakthrough inhibitor AZD9291 to epidermal growth factor receptor revealed.
J.Struct.Biol., 192, 2015
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3DA8
 | | Crystal structure of PurN from Mycobacterium tuberculosis | | Descriptor: | BETA-MERCAPTOETHANOL, IODIDE ION, MAGNESIUM ION, ... | | Authors: | Zhang, Z, Squire, C.J, Baker, E.N. | | Deposit date: | 2008-05-28 | | Release date: | 2009-05-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery.
J.Mol.Biol., 389, 2009
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3DCJ
 | | Crystal structure of glycinamide formyltransferase (PurN) from Mycobacterium tuberculosis in complex with 5-methyl-5,6,7,8-tetrahydrofolic acid derivative | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ... | | Authors: | Zhang, Z, Squire, C.J, Baker, E.N. | | Deposit date: | 2008-06-03 | | Release date: | 2009-05-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery.
J.Mol.Biol., 389, 2009
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3CQE
 | | Wee1 kinase complex with inhibitor PD074291 | | Descriptor: | 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Squire, C.J, Baker, E.N. | | Deposit date: | 2008-04-02 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Determinants of Wee1 Inhibitor Selectivity
To be Published
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3CR0
 | | Wee1 kinase complex with inhibitor PD259_809 | | Descriptor: | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Squire, C.J, Baker, E.N. | | Deposit date: | 2008-04-03 | | Release date: | 2009-02-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants of Wee1 inhibitor selectivity
To be Published
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3BI6
 | | Wee1 kinase complex with inhibitor PD352396 | | Descriptor: | 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide, CHLORIDE ION, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2007-11-29 | | Release date: | 2007-12-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
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3BIZ
 | | Wee1 kinase complex with inhibitor PD331618 | | Descriptor: | 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, CHLORIDE ION, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2007-12-02 | | Release date: | 2007-12-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
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3BXD
 | | Crystal structure of Mouse Myo-inositol oxygenase (re-refined) | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, FE (III) ION, FORMIC ACID, ... | | Authors: | Hallberg, B.M. | | Deposit date: | 2008-01-13 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and biophysical characterization of human myo-inositol oxygenase.
J.Biol.Chem., 283, 2008
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4BC4
 | | Crystal structure of human D-xylulokinase in complex with D-xylulose | | Descriptor: | 1,2-ETHANEDIOL, D-XYLULOSE, XYLULOSE KINASE | | Authors: | Bunker, R.D, Loomes, K.M, Baker, E.N. | | Deposit date: | 2012-10-01 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism
J.Biol.Chem., 288, 2013
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4BC2
 | | Crystal structure of human D-xylulokinase in complex with D-xylulose and adenosine diphosphate | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, D-XYLULOSE, ... | | Authors: | Bunker, R.D, Loomes, K.M, Baker, E.N. | | Deposit date: | 2012-10-01 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism
J.Biol.Chem., 288, 2013
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4BC3
 | | Crystal structure of human D-xylulokinase | | Descriptor: | 1,2-ETHANEDIOL, XYLULOSE KINASE | | Authors: | Bunker, R.D, Loomes, K.M, Baker, E.N. | | Deposit date: | 2012-10-01 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism
J.Biol.Chem., 288, 2013
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4BC5
 | | Crystal structure of human D-xylulokinase in complex with inhibitor 5- deoxy-5-fluoro-D-xylulose | | Descriptor: | 1,2-ETHANEDIOL, 5-deoxy-5-fluoro-D-xylulose, XYLULOSE KINASE | | Authors: | Bunker, R.D, Loomes, K.M, Baker, E.N. | | Deposit date: | 2012-10-01 | | Release date: | 2012-11-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structure and Function of Human Xylulokinase, an Enzyme with Important Roles in Carbohydrate Metabolism
J.Biol.Chem., 288, 2013
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