Author results

3HOF
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STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH CAFFEIC ACID AT 1.9A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, CAFFEIC ACID
Authors:Crawley, L., Barker, J., Cheng, R.K.Y., Wood, M., Felicetti, B.
Deposit date:2009-06-02
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of macrophage migration inhibitory factor (MIF) with caffeic acid at 1.9A resolution
To be Published
3K4S
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THE STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN PDE4D WITH 4-(3-BUTOXY-4-METHOXYPHENYL)METHYL-2-IMIDAZOLIDONE
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one, ...
Authors:Crawley, L., Cheng, R.K.Y., Wood, M., Barker, J., Felicetti, B., Whittaker, M.
Deposit date:2009-10-06
Release date:2009-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of the catalytic domain of human PDE4d with 4-(3-Butoxy-4-methoxyphenyl)methyl-2-imidazolidone
To be Published
3K5E
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THE STRUCTURE OF HUMAN KINESIN-LIKE MOTOR PROTEIN KIF11/KSP/EG5 IN COMPLEX WITH ADP AND ENASTROL.
Descriptor:Kinesin-like protein KIF11, (4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Crawley, L., Cheng, R.K.Y., Wood, M., Barker, J., Felicetti, B., Whittaker, M.
Deposit date:2009-10-07
Release date:2009-10-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol.
To be Published
4RG8
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STRUCTURAL AND BIOCHEMICAL STUDIES OF A MODERATELY THERMOPHILIC EXONUCLEASE I FROM METHYLOCALDUM SZEGEDIENSE
Descriptor:Exonuclease I, MAGNESIUM ION
Authors:Fei, L., Tian, S., Moysey, R., Misca, M., Barker, J.J., Smith, M.A., McEwan, P.A., Pilka, E.S., Crawley, L., Evans, T., Sun, D.
Deposit date:2014-09-29
Release date:2015-02-25
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural and Biochemical Studies of a Moderately Thermophilic Exonuclease I from Methylocaldum szegediense.
Plos One, 10, 2015
3I8V
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CRYSTAL STRUCTURE OF HUMAN PDE4A WITH 4-(3-BUTOXY-4-METHOXYPHENYL)METHYL-2-IMIDAZOLIDONE
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4A, ZINC ION, MAGNESIUM ION, ...
Authors:Cheng, R.K.Y., Crawley, L., Barker, J., Wood, M., Felicetti, B., Whittaker, M.
Deposit date:2009-07-10
Release date:2009-07-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of human PDE4a with 4-(3-butoxy-4-methoxyphenyl)methyl-2-imidazolidone
To be Published
3IAK
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CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 4D (PDE4D) WITH PAPAVERINE.
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4D, ZINC ION, MAGNESIUM ION, ...
Authors:Cheng, R.K.Y., Crawley, L., Barker, J., Wood, M., Felicetti, B., Whittaker, M.
Deposit date:2009-07-14
Release date:2009-09-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine.
To be Published
3K6L
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THE STRUCTURE OF E.COLI PEPTIDE DEFORMYLASE (PDF) IN COMPLEX WITH PEPTIDOMIMETIC LIGAND BB2827
Descriptor:Peptide deformylase, NICKEL (II) ION, (2S,3R)-N~4~-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-N~1~,2-dihydroxy-3-(2-methylpropyl)butanediamide
Authors:Cheng, R.K.Y., Crawley, L., Wood, M., Barker, J., Felicetti, B., Whittaker, M.
Deposit date:2009-10-09
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The structure of E.coli peptide deformylase (PDF) in complex with peptidomimetic ligand BB2827
To be Published
3KKT
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CRYSTAL STRUCTURE OF HUMAN PDE4B WITH 5-[3-[(1S,2S,4R)-BICYCLO[2.2.1]HEPT-2-YLOXY]-4-METHOXYP HENYL]TETRAHYDRO-2(1H)-PYRIMIDINONE REVEALS ORDERING OF THE C-TERMINAL HELIX RESIDUES 502-509.
Descriptor:cAMP-specific 3',5'-cyclic phosphodiesterase 4B, ZINC ION, 5-{3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl}tetrahydropyrimidin-2(1H)-one, ...
Authors:Cheng, R.K.Y., Crawley, L., Barker, J., Whittaker, M.
Deposit date:2009-11-06
Release date:2009-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of human PDE4b with 5-[3-[(1S,2S,4R)-Bicyclo[2.2.1]hept-2-yloxy]-4-methoxyp henyl]tetrahydro-2(1H)-pyrimidinone reveals ordering of the C-terminal helix residues 502-509.
To be Published
4C8D
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CRYSTAL STRUCTURE OF JMJC DOMAIN OF HUMAN HISTONE 3 LYSINE-SPECIFIC DEMETHYLASE 3B (KDM3B)
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 3B, MANGANESE (II) ION, N-OXALYLGLYCINE, ...
Authors:Vollmar, M., Johansson, C., Gileadi, C., Goubin, S., Szykowska, A., Krojer, T., Crawley, L., von Delft, F., Arrowsmith, C.H., Bountra, C., Edwards, A., Oppermann, U.
Deposit date:2013-09-30
Release date:2013-10-16
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of Jmjc Domain of Human Histone 3 Lysine-Specific Demethylase 3B (Kdm3B)
To be Published
4D6Q
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CRYSTAL STRUCTURE OF HUMAN JMJD2D IN COMPLEX WITH 2,4-PDCA
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4D, ZINC ION, NICKEL (II) ION, ...
Authors:Krojer, T., Vollmar, M., Bradley, A., Crawley, L., Szykowska, A., Burgess-Brown, N., Gileadi, C., Johansson, C., Oppermann, U., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2014-11-14
Release date:2014-12-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.292 Å)
Cite:Crystal Structure of Human Jmjd2D in Complex with 2,4-Pdca
To be Published
4D6R
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CRYSTAL STRUCTURE OF HUMAN JMJD2D IN COMPLEX WITH N-OXALYLGLYCINE AND BOUND O-TOLUENESULFONAMIDE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4D, ZINC ION, NICKEL (II) ION, ...
Authors:Krojer, T., Vollmar, M., Bradley, A., Crawley, L., Szykowska, A., Burgess-Brown, N., Gileadi, C., Johansson, C., Oppermann, U., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2014-11-14
Release date:2014-12-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.398 Å)
Cite:Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound O-Toluenesulfonamide
To be Published
4D6S
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CRYSTAL STRUCTURE OF HUMAN JMJD2D IN COMPLEX WITH N-OXALYLGLYCINE AND BOUND 5,6-DIMETHYLBENZIMIDAZOLE
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4D, ZINC ION, NICKEL (II) ION, ...
Authors:Krojer, T., Vollmar, M., Bradley, A., Crawley, L., Szykowska, A., Burgess-Brown, N., Gileadi, C., Johansson, C., Oppermann, U., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2014-11-14
Release date:2014-12-24
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of Human Jmjd2D in Complex with N-Oxalylglycine and Bound 5,6- Dimethylbenzimidazole
To be Published
4CRI
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CRYSTAL STRUCTURE OF 53BP1 TANDEM TUDOR DOMAINS IN COMPLEX WITH METHYLATED K810 RB PEPTIDE
Descriptor:TUMOR SUPPRESSOR P53-BINDING PROTEIN 1, RB1 PROTEIN
Authors:Krojer, T., Johansson, C., Gileadi, C., Fedorov, O., Carr, S., La Thangue, N.B., Vollmar, M., Crawley, L., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Oppermann, U.
Deposit date:2014-02-26
Release date:2014-08-06
Last modified:2014-08-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Lysine Methylation-Dependent Binding of 53BP1 to the Prb Tumor Suppressor.
Proc.Natl.Acad.Sci.USA, 111, 2014
4URA
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CRYSTAL STRUCTURE OF HUMAN JMJD2A IN COMPLEX WITH COMPOUND 14A
Descriptor:LYSINE-SPECIFIC DEMETHYLASE 4A, 1,2-ETHANEDIOL, SULFATE ION, ...
Authors:Krojer, T., England, K.S., Vollmar, M., Crawley, L., Williams, E., Riesebos, E., Szykowska, A., Burgess-Brown, N., Oppermann, U., Brennan, P.E., Bountra, C., Arrowsmith, C.H., Edwards, A., von Delft, F.
Deposit date:2014-06-27
Release date:2015-06-17
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Optimisation of a triazolopyridine based histone demethylase inhibitor yields a potent and selective KDM2A (FBXL11) inhibitor.
Medchemcomm, 5, 2014
5F5A
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CRYSTAL STRUCTURE OF HUMAN JMJD2D COMPLEXED WITH KDOAM16
Descriptor:Lysine-specific demethylase 4D, ZINC ION, NICKEL (II) ION, ...
Authors:Krojer, T., Vollmar, M., Crawley, L., Bradley, A.R., Szykowska, A., Ruda, G.F., Yang, H., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., Oppermann, U., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2015-12-04
Release date:2015-12-16
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5F5C
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CRYSTAL STRUCTURE OF HUMAN JMJD2D COMPLEXED WITH KDOPP7
Descriptor:Lysine-specific demethylase 4D, ZINC ION, NICKEL (II) ION, ...
Authors:Krojer, T., Vollmar, M., Crawley, L., Bradley, A.R., Szykowska, A., Ruda, G.F., Yang, H., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., Oppermann, U., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2015-12-04
Release date:2015-12-30
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5F5I
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CRYSTAL STRUCTURE OF HUMAN JMJD2A COMPLEXED WITH KDOOA011340
Descriptor:Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Krojer, T., Vollmar, M., Crawley, L., Szykowska, A., Gileadi, C., Johansson, C., England, K., Yang, H., Burgess-Brown, N., Brennan, P., Bountra, C., Arrowsmith, C.H., Edwards, A., Oppermann, U., von Delft, F., Structural Genomics Consortium (SGC)
Deposit date:2015-12-04
Release date:2015-12-30
Last modified:2016-09-14
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016