Author results

1DYU
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THE ACTIVE SITE BASE CONTROLS COFACTOR REACTIVITY IN ESCHERICHIA COLI AMINE OXIDASE: X-RAY CRYSTALLOGRAPHIC STUDIES WITH MUTATIONAL VARIANTS.
Descriptor:COPPER AMINE OXIDASE, COPPER (II) ION, CALCIUM ION
Authors:Murray, J.M., Wilmot, C.M., Saysell, C.G., Jaeger, J., Knowles, P.F., Phillips, S.E.V., McPherson, M.J.
Deposit date:2000-02-08
Release date:2000-02-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The Active Site Base Controls Cofactor Reactivity in Escherichia Coli Amine Oxidase : X-Ray Crystallographicstudies with Mutational Variants
Biochemistry, 38, 1999
1JRQ
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X-RAY STRUCTURE ANALYSIS OF THE ROLE OF THE CONSERVED TYROSINE-369 IN ACTIVE SITE OF E. COLI AMINE OXIDASE
Descriptor:Copper amine oxidase, COPPER (II) ION, CALCIUM ION
Authors:Murray, J.M., Kurtis, C.R., Tambarajah, W., Saysell, C.G., Wilmot, C.M., Parsons, M.R., Phillips, S.E.V., Knowles, P.F., McPherson, M.J.
Deposit date:2001-08-14
Release date:2001-11-21
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conserved tyrosine-369 in the active site of Escherichia coli copper amine oxidase is not essential.
Biochemistry, 40, 2001
1QAF
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THE ACTIVE SITE BASE CONTROLS COFACTOR REACTIVITY IN ESCHERICHIA COLI AMINE OXIDASE : X-RAY CRYSTALLOGRAPHIC STUDIES WITH MUTATIONAL VARIANTS
Descriptor:PROTEIN (COPPER AMINE OXIDASE), COPPER (II) ION, CALCIUM ION, ...
Authors:Murray, J.M., Wilmot, C.M., Saysell, C.G., Jaeger, J., Knowles, P.F., Phillips, S.E., McPherson, M.J.
Deposit date:1999-03-11
Release date:1999-08-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The active site base controls cofactor reactivity in Escherichia coli amine oxidase: x-ray crystallographic studies with mutational variants.
Biochemistry, 38, 1999
1QAK
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THE ACTIVE SITE BASE CONTROLS COFACTOR REACTIVITY IN ESCHERICHIA COLI AMINE OXIDASE : X-RAY CRYSTALLOGRAPHIC STUDIES WITH MUTATIONAL VARIANTS
Descriptor:COPPER AMINE OXIDASE, COPPER (II) ION, CALCIUM ION
Authors:Murray, J.M., Wilmot, C.M., Saysell, C.G., Jaeger, J., Knowles, P.F., Phillips, S.E., McPherson, M.J.
Deposit date:1999-03-15
Release date:1999-08-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The active site base controls cofactor reactivity in Escherichia coli amine oxidase: x-ray crystallographic studies with mutational variants.
Biochemistry, 38, 1999
1QAL
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THE ACTIVE SITE BASE CONTROLS COFACTOR REACTIVITY IN ESCHERICHIA COLI AMINE OXIDASE : X-RAY CRYSTALLOGRAPHIC STUDIES WITH MUTATIONAL VARIANTS
Descriptor:COPPER AMINE OXIDASE, COPPER (II) ION, CALCIUM ION
Authors:Murray, J.M., Wilmot, C.M., Saysell, C.G., Jaeger, J., Knowles, P.F., Phillips, S.E., McPherson, M.J.
Deposit date:1999-03-19
Release date:1999-08-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The active site base controls cofactor reactivity in Escherichia coli amine oxidase: x-ray crystallographic studies with mutational variants.
Biochemistry, 38, 1999
4GB9
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POTENT AND HIGHLY SELECTIVE BENZIMIDAZOLE INHIBITORS OF PI3K-DELTA
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol
Authors:Murray, J.M.
Deposit date:2012-07-26
Release date:2012-08-22
Last modified:2013-01-02
Method:X-RAY DIFFRACTION (2.438 Å)
Cite:Potent and highly selective benzimidazole inhibitors of PI3-kinase delta.
J.Med.Chem., 55, 2012
5VZS
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BRD4-BD1 IN COMPLEX WITH CPD19 (3-(7-(DIFLUOROMETHYL)-6-(1-METHYL-1H-PYRAZOL-4-YL)-3,4-DIHYDROQUINOLIN-1(2H)-YL)-N-METHYL-1-(TETRAHYDRO-2H-PYRAN-4-YL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDINE-5-CARBOXAMIDE)
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
Authors:Murray, J.M.
Deposit date:2017-05-29
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.707 Å)
Cite:GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of CBP/P300
To be published
6ALB
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CREBBP BROMODOMAIN IN COMPLEX WITH CPD 30 (1-(3-(3-(1-METHYL-1H-PYRAZOL-4-YL)ISOQUINOLIN-8-YL)-1-(TETRAHYDRO-2H-PYRAN-4-YL)-1,4,6,7-TETRAHYDRO-5H-PYRAZOLO[4,3-C]PYRIDIN-5-YL)ETHAN-1-ONE)
Descriptor:CREB-binding protein, ZINC ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Murray, J.M.
Deposit date:2017-08-07
Release date:2018-10-17
Method:X-RAY DIFFRACTION (2.053 Å)
Cite:Design and Synthesis of A Biaryl Series As Inhibitors for the Bromodomains of CBP/P300
To be published
2GU8
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DISCOVERY OF 2-PYRIMIDYL-5-AMIDOTHIOPHENES AS NOVEL AND POTENT INHIBITORS FOR AKT: SYNTHESIS AND SAR STUDIES
Descriptor:CAMP-dependent protein kinase, alpha-catalytic subunit, inhibitor of CAMP-dependent protein kinase, ...
Authors:Murray, J.M.
Deposit date:2006-04-28
Release date:2007-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies
Bioorg.Med.Chem.Lett., 16, 2006
3NZS
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STRUCTURE-BASED OPTIMIZATION OF PYRAZOLO -PYRIMIDINE AND -PYRIDINE INHIBITORS OF PI3-KINASE
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 6-(1,1-dioxidothiomorpholin-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:Murray, J.M., Wiesmann, C.
Deposit date:2010-07-16
Release date:2010-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3NZU
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STRUCTURE-BASED OPTIMIZATION OF PYRAZOLO -PYRIMIDINE AND -PYRIDINE INHIBITORS OF PI3-KINASE
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Authors:Murray, J.M., Wiesmann, C.
Deposit date:2010-07-16
Release date:2010-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 20, 2010
3R7Q
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STRUCTURE-BASED DESIGN OF THIENOBENZOXEPIN INHIBITORS OF PI3- KINASE
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
Authors:Murray, J.M., Wiesmann, C.
Deposit date:2011-03-22
Release date:2011-08-03
Last modified:2012-09-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3R7R
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STRUCTURE-BASED DESIGN OF THIENOBENZOXEPIN INHIBITORS OF PI3-KINASE
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
Authors:Murray, J.M., Wiesmann, C.
Deposit date:2011-03-22
Release date:2011-08-03
Last modified:2012-09-05
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 21, 2011
4ERS
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A MOLECULAR BASIS FOR NEGATIVE REGULATION OF THE GLUCAGON RECEPTOR
Descriptor:Fab light chain, Fab heavy chain, Glucagon receptor, ...
Authors:Murray, J.M., Koth, C.M., Mukund, S.
Deposit date:2012-04-20
Release date:2012-08-29
Last modified:2012-12-05
Method:X-RAY DIFFRACTION (2.637 Å)
Cite:Molecular basis for negative regulation of the glucagon receptor.
Proc.Natl.Acad.Sci.USA, 109, 2012
4F08
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DISCOVERY AND OPTIMIZATION OF C-2 METHYL IMIDAZO-PYRROLOPYRIDINES AS POTENT AND ORALLY BIOAVAILABLE JAK1 INHIBITORS WITH SELECTIVITY OVER JAK2
Descriptor:Tyrosine-protein kinase JAK2, 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
Authors:Murray, J.M.
Deposit date:2012-05-03
Release date:2012-07-04
Last modified:2013-05-29
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
4F09
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DISCOVERY AND OPTIMIZATION OF C-2 METHYL IMIDAZO-PYRROLOPYRIDINES AS POTENT AND ORALLY BIOAVAILABLE JAK1 INHIBITORS WITH SELECTIVITY OVER JAK2
Descriptor:Tyrosine-protein kinase JAK2, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
Authors:Murray, J.M.
Deposit date:2012-05-03
Release date:2012-07-04
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
4HJK
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U7UB7 DISULFIDE VARIANT
Descriptor:Ubiquitin, PHOSPHATE ION
Authors:Murray, J.M., Rouge, L.
Deposit date:2012-10-12
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
4HK2
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U7UB25.2540
Descriptor:Ubiquitin, SULFATE ION
Authors:Murray, J.M., Rouge, L.
Deposit date:2012-10-14
Release date:2012-11-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Potent and selective inhibitors of USP7/HAUSP activity by protein conformational stabilization
to be published
5VRG
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STRUCTURAL INSIGHTS INTO LIPOPROTEIN N-ACYLATION BY ESCHERICHIA COLI APOLIPOPROTEIN N-ACYLTRANSFERASE
Descriptor:Apolipoprotein N-acyltransferase, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PENTANE, ...
Authors:Murray, J.M., Noland, C.L.
Deposit date:2017-05-10
Release date:2017-07-12
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Structural insights into lipoprotein N-acylation by Escherichia coli apolipoprotein N-acyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5VRH
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APOLIPOPROTEIN N-ACYLTRANSFERASE C387S ACTIVE SITE MUTANT
Descriptor:Apolipoprotein N-acyltransferase, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MAGNESIUM ION, ...
Authors:Murray, J.M., Noland, C.L.
Deposit date:2017-05-10
Release date:2017-07-12
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:Structural insights into lipoprotein N-acylation by Escherichia coli apolipoprotein N-acyltransferase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WHC
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USP7 IN COMPLEX WITH CPD2 (4-(3-(1-METHYLPIPERIDIN-4-YL)-1,2,4-OXADIAZOL-5-YL)PHENOL)
Descriptor:Ubiquitin carboxyl-terminal hydrolase 7, 4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol, GLYCEROL
Authors:Murray, J.M., Rouge, L.
Deposit date:2017-07-16
Release date:2017-12-13
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (2.548 Å)
Cite:Discovery of Small-Molecule Inhibitors of Ubiquitin Specific Protease 7 (USP7) Using Integrated NMR and in Silico Techniques.
J. Med. Chem., 60, 2017
6AUD
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PI3K-GAMMA K802T IN COMPLEX WITH CPD 8 10-((1-(TERT-BUTYL)PIPERIDIN-4-YL)SULFINYL)-2-(1-ISOPROPYL-1H-1,2,4-TRIAZOL-5-YL)-5,6-DIHYDROBENZO[F]IMIDAZO[1,2-D][1,4]OXAZEPINE
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 10-[(S)-(1-tert-butylpiperidin-4-yl)sulfinyl]-2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
Authors:Murray, J.M., Ultsch, M.
Deposit date:2017-08-31
Release date:2017-11-15
Method:X-RAY DIFFRACTION (2.015 Å)
Cite:Design of Selective Benzoxazepin PI3K delta Inhibitors Through Control of Dihedral Angles.
ACS Med Chem Lett, 8, 2017
4EJF
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ALLOSTERIC PEPTIDES THAT BIND TO A CASPASE ZYMOGEN AND MEDIATE CASPASE TETRAMERIZATION
Descriptor:Caspase-6, phage-derived peptide 419, PHOSPHATE ION
Authors:Murray, J.M.
Deposit date:2012-04-06
Release date:2012-06-20
Last modified:2012-09-05
Method:X-RAY DIFFRACTION (2.6465 Å)
Cite:Allosteric peptides bind a caspase zymogen and mediate caspase tetramerization.
Nat.Chem.Biol., 8, 2012
3S1B
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THE DEVELOPMENT OF PEPTIDE-BASED TOOLS FOR THE ANALYSIS OF ANGIOGENESIS
Descriptor:Vascular endothelial growth factor A, mini-Z
Authors:Murray, J.M., Wiesmann, C.
Deposit date:2011-05-14
Release date:2011-08-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The development of Peptide-based tools for the analysis of angiogenesis.
Chem.Biol., 18, 2011
3S1K
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THE DEVELOPMENT OF PEPTIDE-BASED TOOLS FOR THE ANALYSIS OF ANGIOGENESIS
Descriptor:Z-domain, Vascular endothelial growth factor A
Authors:Murray, J.M., Wiesmann, C.
Deposit date:2011-05-15
Release date:2011-08-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The development of Peptide-based tools for the analysis of angiogenesis.
Chem.Biol., 18, 2011