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1X8B
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BU of 1x8b by Molmil
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
2IO6
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BU of 2io6 by Molmil
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
2IN6
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BU of 2in6 by Molmil
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
2HUO
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BU of 2huo by Molmil
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
4ZAU
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BU of 4zau by Molmil
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
3CQE
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BU of 3cqe by Molmil
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
3CR0
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BU of 3cr0 by Molmil
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
3DA8
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BU of 3da8 by Molmil
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
3DCJ
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BU of 3dcj by Molmil
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
3BI6
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BU of 3bi6 by Molmil
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
3BIZ
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BU of 3biz by Molmil
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
3BXD
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BU of 3bxd by Molmil
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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