Author results

2LB6
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STRUCTURE OF 18694DA MUP, TYPICAL TO THE MAJOR URINARY PROTEIN FAMILY: MUP9, MUP11, MUP15, MUP18 & MUP19
Descriptor:Major urinary protein 6
Authors:Phelan, M.M., Mclean, L., Beynon, R.J., Hurst, J.L., Lian, L.
Deposit date:2011-03-23
Release date:2012-03-28
Method:SOLUTION NMR
Cite:Structural insights into the specificity of darcin, an atypical major urinary protein.
To be Published
2L9C
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STRUCTURAL INSIGHTS INTO THE SPECIFICITY OF DARCIN, AN ATYPICAL MAJOR URINARY PROTEIN.
Descriptor:Darcin
Authors:Phelan, M.M., Mclean, L., Beynon, R.J., Hurst, J.L., Lian, L.
Deposit date:2011-02-07
Release date:2012-02-08
Method:SOLUTION NMR
Cite:Structural insights into the specificity of darcin, an atypical major urinary protein.
To be Published
4IAN
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CRYSTAL STRUCTURE OF APO HUMAN PRPF4B KINASE DOMAIN
Descriptor:Serine/threonine-protein kinase PRP4 homolog, SULFATE ION
Authors:Mechin, I., Haas, K., Chen, X., Zhang, Y., McLean, L.
Deposit date:2012-12-06
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IFC
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CRYSTAL STRUCTURE OF ADP-BOUND HUMAN PRPF4B KINASE DOMAIN
Descriptor:Serine/threonine-protein kinase PRP4 homolog, ADENOSINE-5'-DIPHOSPHATE, SULFATE ION
Authors:Mechin, I., Haas, K., Chen, X., Zhang, Y., McLean, L.
Deposit date:2012-12-14
Release date:2013-08-28
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IIR
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CRYSTAL STRUCTURE OF AMPPNP-BOUND HUMAN PRPF4B KINASE DOMAIN
Descriptor:Serine/threonine-protein kinase PRP4 homolog, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Mechin, I., Haas, K., Chen, X., Zhang, Y., McLean, L.
Deposit date:2012-12-20
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IJP
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CRYSTAL STRUCTURE OF HUMAN PRPF4B KINASE DOMAIN IN COMPLEX WITH 4-{5-[(2-CHLORO-PYRIDIN-4-YLMETHYL)-CARBAMOYL]-THIOPHEN-2-YL}-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID AMINE
Descriptor:Serine/threonine-protein kinase PRP4 homolog, 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION
Authors:Mechin, I., Haas, K., Chen, X., Zhang, Y., McLean, L.
Deposit date:2012-12-22
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
3JSF
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH HYDROXYQUINOLINE INHIBITOR 638 AT 1.93A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, 7-(2-fluorobenzyl)quinolin-8-ol, SULFATE ION
Authors:Mclean, L., Zhang, Y.
Deposit date:2009-09-10
Release date:2009-11-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
3JSG
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH HYDROXYQUINOLINE INHIBITOR 707 AT 1.58A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, 7-(pyridin-3-ylmethyl)quinolin-8-ol, SULFATE ION
Authors:Mclean, L., Zhang, Y.
Deposit date:2009-09-10
Release date:2009-11-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
3JTU
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH HYDROXYQUINOLINE INHIBITOR 708 AT 1.86A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, 7-(pyridin-2-ylmethyl)quinolin-8-ol, SULFATE ION
Authors:Mclean, L., Zhang, Y.
Deposit date:2009-09-14
Release date:2009-11-10
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
3KVJ
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CRYSTAL STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE (DHODH) WITH AMINO-BENZOIC ACID INHIBITOR 105 AT 1.94A RESOLUTION
Descriptor:Dihydroorotate dehydrogenase, mitochondrial, SULFATE ION, ...
Authors:McLean, L., Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVK
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CRYSTAL STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE (DHODH) WITH AMINO-BENZOIC ACID INHIBITOR 641 AT 2.05A RESOLUTION
Descriptor:Dihydroorotate dehydrogenase, mitochondrial, SULFATE ION, ...
Authors:McLean, L., Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVL
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CRYSTAL STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE (DHODH) WITH AMINO-BENZOIC ACID INHIBITOR 715 AT 1.85A RESOLUTION
Descriptor:Dihydroorotate dehydrogenase, mitochondrial, SULFATE ION, ...
Authors:McLean, L., Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3KVM
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CRYSTAL STRUCTURE OF HUMAN DIHYDROOROTATE DEHYDROGENASE (DHODH) WITH AMINO-BENZOIC ACID INHIBITOR 951 AT 2.00A RESOLUTION
Descriptor:Dihydroorotate dehydrogenase, mitochondrial, SULFATE ION, ...
Authors:McLean, L., Zhang, Y.
Deposit date:2009-11-30
Release date:2010-03-02
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.
Bioorg.Med.Chem.Lett., 20, 2010
3L5P
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH IMIDAZOPYRIDAZINOL INHIBITOR AT 1.80A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, 2-(1-methylethyl)imidazo[1,2-b]pyridazin-6-ol, GLYCEROL, ...
Authors:McLean, L., Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5R
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH PHENYLCHROMENONE INHIBITOR AT 1.94A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, 3-(3,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one, SULFATE ION, ...
Authors:McLean, L., Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5S
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH IMIDAZOPYRIMIDINYLPHENYL INHIBITOR AT 1.86A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, 5-ethyl-2-(phenylcarbonyl)imidazo[1,2-a]pyrimidin-7(1H)-one, SULFATE ION
Authors:McLean, L., Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5T
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH THIOPHENEPIPERAZINYLQUINOLINONE INHIBITOR AT 1.86A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, 1-methyl-2-oxo-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]-1,2-dihydroquinoline-3-carbonitrile, SULFATE ION
Authors:McLean, L., Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5U
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH BENZOTHIAZOLE INHIBITOR AT 1.90A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE, SULFATE ION
Authors:McLean, L., Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
3L5V
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CRYSTAL STRUCTURE OF MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) WITH GLYCEROL AT 1.70A RESOLUTION
Descriptor:Macrophage migration inhibitory factor, GLYCEROL, SULFATE ION
Authors:McLean, L., Zhang, Y.
Deposit date:2009-12-22
Release date:2010-03-09
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.
Bioorg.Med.Chem.Lett., 20, 2010
4UMY
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IDH1 R132H IN COMPLEX WITH CPD 1
Descriptor:ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, SULFATE ION, GLYCEROL, ...
Authors:McLean, L., Zhang, Y., Mathieu, M.
Deposit date:2014-05-22
Release date:2014-11-19
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
5TOE
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PIM-1 KINASE IN COMPLEX WITH A 7-AZAINDOLE
Descriptor:Serine/threonine-protein kinase pim-1, 2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
Authors:Mclean, L., Mechin, I., Zhang, Y., Wang, R., Batchelor, J.D.
Deposit date:2016-10-17
Release date:2017-10-11
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
5TEX
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PIM-1 KINASE IN COMPLEX WITH A 7-AZAINDOLE
Descriptor:Serine/threonine-protein kinase pim-1, IMIDAZOLE, (4-{4-chloro-1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)methanol
Authors:Mechin, I., Wang, R., Batchelor, J.D., McLean, L.
Deposit date:2016-09-23
Release date:2017-10-11
Method:X-RAY DIFFRACTION (2.149 Å)
Cite:Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017
5TUR
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PIM-1 KINASE IN COMPLEX WITH A 7-AZAINDOLE
Descriptor:Serine/threonine-protein kinase pim-1, 1-methyl-2-[4-(piperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
Authors:Mechin, I., Zhang, Y., Wang, R., Batchelor, J.D., Mclean, L.
Deposit date:2016-11-07
Release date:2017-10-11
Method:X-RAY DIFFRACTION (2.948 Å)
Cite:Discovery of N-substituted 7-azaindoles as PIM1 kinase inhibitors - Part I.
Bioorg. Med. Chem. Lett., 27, 2017