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2IN6
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WEE1 KINASE COMPLEX WITH INHIBITOR PD311839
Descriptor:Wee1-like protein kinase, 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID
Authors:Squire, C.J., Dickson, J.M., Ivanovic, I., Baker, E.N.
Deposit date:2006-10-05
Release date:2007-09-18
Last modified:2011-07-13
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
2IO6
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WEE1 KINASE COMPLEXED WITH INHIBITOR PD330961
Descriptor:Wee1-like protein kinase, 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Authors:Squire, C.J., Dickson, J.M., Ivanovic, I., Baker, E.N.
Deposit date:2006-10-10
Release date:2007-09-18
Last modified:2011-07-13
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
1X8B
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STRUCTURE OF HUMAN WEE1A KINASE: KINASE DOMAIN COMPLEXED WITH INHIBITOR PD0407824
Descriptor:Wee1-like protein kinase, MAGNESIUM ION, 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE
Authors:Squire, C.J., Dickson, J.M., Ivanovic, I., Baker, E.N.
Deposit date:2004-08-17
Release date:2005-06-07
Last modified:2011-07-13
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
2HUO
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CRYSTAL STRUCTURE OF MOUSE MYO-INOSITOL OXYGENASE IN COMPLEX WITH SUBSTRATE
Descriptor:Inositol oxygenase, FE (III) ION, HYDROXIDE ION, ...
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:2011-07-13
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
3BI6
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WEE1 KINASE COMPLEX WITH INHIBITOR PD352396
Descriptor:Wee1-like protein kinase, CHLORIDE ION, 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide
Authors:Squire, C.J., Dickson, J.M., Ivanovic, I., Baker, E.N.
Deposit date:2007-11-29
Release date:2007-12-18
Last modified:2017-10-25
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
3BIZ
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WEE1 KINASE COMPLEX WITH INHIBITOR PD331618
Descriptor:Wee1-like protein kinase, CHLORIDE ION, 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
Authors:Squire, C.J., Dickson, J.M., Ivanovic, I., Baker, E.N.
Deposit date:2007-12-02
Release date:2007-12-25
Last modified:2017-10-25
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
3CQE
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WEE1 KINASE COMPLEX WITH INHIBITOR PD074291
Descriptor:Wee1-like protein kinase, CHLORIDE ION, 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide, ...
Authors:Squire, C.J., Baker, E.N.
Deposit date:2008-04-02
Release date:2009-02-24
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Determinants of Wee1 Inhibitor Selectivity
To be Published
3CR0
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WEE1 KINASE COMPLEX WITH INHIBITOR PD259_809
Descriptor:Wee1-like protein kinase, CHLORIDE ION, 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione, ...
Authors:Squire, C.J., Baker, E.N.
Deposit date:2008-04-03
Release date:2009-02-24
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural determinants of Wee1 inhibitor selectivity
To be Published
3DA8
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CRYSTAL STRUCTURE OF PURN FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Probable 5'-phosphoribosylglycinamide formyltransferase purN, MAGNESIUM ION, IODIDE ION, ...
Authors:Zhang, Z., Squire, C.J., Baker, E.N.
Deposit date:2008-05-28
Release date:2009-05-12
Last modified:2017-10-25
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
3DCJ
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CRYSTAL STRUCTURE OF GLYCINAMIDE FORMYLTRANSFERASE (PURN) FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID DERIVATIVE
Descriptor:Probable 5'-phosphoribosylglycinamide formyltransferase purN, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, MAGNESIUM ION, ...
Authors:Zhang, Z., Squire, C.J., Baker, E.N.
Deposit date:2008-06-03
Release date:2009-05-12
Last modified:2011-07-13
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
4ZAU
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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:2015-12-02
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
3BXD
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CRYSTAL STRUCTURE OF MOUSE MYO-INOSITOL OXYGENASE (RE-REFINED)
Descriptor:INOSITOL OXYGENASE, FE (III) ION, HYDROXIDE ION, ...
Authors:Hallberg, B.M.
Deposit date:2008-01-13
Release date:2008-02-05
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and biophysical characterization of human myo-inositol oxygenase.
J.Biol.Chem., 283, 2008