Author results

1ESJ
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CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S)
Descriptor:HYDROXYETHYLTHIAZOLE KINASE, SULFATE ION
Authors:Campobasso, N., Mathews, I.I., Begley, T.P., Ealick, S.E.
Deposit date:2000-04-10
Release date:2000-08-09
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
1ESQ
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CRYSTAL STRUCTURE OF THIAZOLE KINASE MUTANT (C198S) WITH ATP AND THIAZOLE PHOSPHATE.
Descriptor:HYDROXYETHYLTHIAZOLE KINASE, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Campobasso, N., Mathews, I.I., Begley, T.P., Ealick, S.E.
Deposit date:2000-04-10
Release date:2000-08-09
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
2THI
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THIAMINASE I FROM BACILLUS THIAMINOLYTICUS
Descriptor:THIAMINASE I, SULFATE ION
Authors:Campobasso, N., Begley, T.P., Ealick, S.E.
Deposit date:1998-09-17
Release date:1999-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution.
Biochemistry, 37, 1998
3THI
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THIAMINASE I FROM BACILLUS THIAMINOLYTICUS
Descriptor:PROTEIN (THIAMINASE I), SULFATE ION
Authors:Campobasso, N., Begley, T.P., Ealick, S.E.
Deposit date:1998-10-04
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution.
Biochemistry, 37, 1998
4THI
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THIAMINASE I FROM BACILLUS THIAMINOLYTICUS WITH COVALENTLY BOUND 4-AMINO-2,5-DIMETHYLPYRIMIDINE
Descriptor:PROTEIN (THIAMINASE I), SULFATE ION, 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE
Authors:Campobasso, N., Begley, T.P., Ealick, S.E.
Deposit date:1998-10-05
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of thiaminase-I from Bacillus thiaminolyticus at 2.0 A resolution.
Biochemistry, 37, 1998
1C3Q
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CRYSTAL STRUCTURE OF NATIVE THIAZOLE KINASE IN THE MONOCLINIC FORM
Descriptor:Hydroxyethylthiazole kinase, CHLORIDE ION, 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL
Authors:Campobasso, N., Mathews, I.I., Begley, T.P., Ealick, S.E.
Deposit date:1999-07-28
Release date:1999-08-09
Last modified:2016-06-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
1EKK
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CRYSTAL STRUCTURE OF HYDROXYETHYLTHIAZOLE KINASE IN THE R3 FORM WITH HYDROXYETHYLTHIAZOLE
Descriptor:HYDROXYETHYLTHIAZOLE KINASE, 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, SULFUR DIOXIDE
Authors:Campobasso, N., Mathews, I.I., Begley, T.P., Ealick, S.E.
Deposit date:2000-03-09
Release date:2000-08-09
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
1EKQ
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CRYSTAL STRUCTURE OF HYDROXYETHYLTHIAZOLE KINASE IN R3 SPACE GROUP
Descriptor:HYDROXYETHYLTHIAZOLE KINASE
Authors:Campobasso, N., Mathews, I.I., Begley, T.P., Ealick, S.E.
Deposit date:2000-03-09
Release date:2000-08-09
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of 4-methyl-5-beta-hydroxyethylthiazole kinase from Bacillus subtilis at 1.5 A resolution.
Biochemistry, 39, 2000
1TVZ
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CRYSTAL STRUCTURE OF 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A SYNTHASE FROM STAPHYLOCOCCUS AUREUS
Descriptor:3-hydroxy-3-methylglutaryl-CoA synthase, SULFATE ION
Authors:Campobasso, N., Patel, M., Wilding, I.E., Kallender, H., Rosenberg, M., Gwynn, M.
Deposit date:2004-06-30
Release date:2004-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Staphylococcus aureus 3-hydroxy-3-methylglutaryl-CoA synthase: crystal structure and mechanism
J.Biol.Chem., 279, 2004
1TXT
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STAPHYLOCOCCUS AUREUS 3-HYDROXY-3-METHYLGLUTARYL-COA SYNTHASE
Descriptor:3-hydroxy-3-methylglutaryl-CoA synthase, ACETOACETYL-COENZYME A
Authors:Campobasso, N., Patel, M., Wilding, I.E., Kallender, H., Rosenberg, M., Gwynn, M.
Deposit date:2004-07-06
Release date:2004-08-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Staphylococcus aureus 3-hydroxy-3-methylglutaryl-CoA synthase: crystal structure and mechanism
J.Biol.Chem., 279, 2004
6NPE
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD6), 2-CYANO-N-(4-(3,4-DICHLOROPHENYL)THIAZOL-2-YL)ACETAMIDE
Descriptor:Tyrosine-protein kinase ABL1, SULFATE ION, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ...
Authors:campobasso, N.
Deposit date:2019-01-17
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPU
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD29), N-(1-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YL)ACETAMIDE
Descriptor:Tyrosine-protein kinase ABL1, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide, ...
Authors:Campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
6NPV
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C-ABL KINASE DOMAIN WITH THE ACTIVATOR(CMPD51), N-(1-(3,4-DICHLOROPHENYL)-4-(2-HYDROXYETHYL)-4,5-DIHYDRO-1H-PYRAZOL-3-YL)ISONICOTINAMIDE
Descriptor:Tyrosine-protein kinase ABL1, SULFATE ION, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, ...
Authors:campobasso, N.
Deposit date:2019-01-18
Release date:2019-03-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
3NUN
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) WITH LEAD COMPOUND
Descriptor:PkB-like, GLYCEROL, SULFATE ION, ...
Authors:Campobasso, N., Ward, P.
Deposit date:2010-07-07
Release date:2011-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery
TO BE PUBLISHED
3NUS
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) WITH FRAGMENT8
Descriptor:phosphoinositide-dependent kinase-1, GLYCEROL, 1H-indazol-3-amine, ...
Authors:Campobasso, N., Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3NUU
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) WITH FRAGMENT11
Descriptor:PkB-like, GLYCEROL, SULFATE ION, ...
Authors:Campobasso, N., Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.9803 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3NUY
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PHOSPHOINOSITIDE-DEPENDENT KINASE-1 (PDK1) WITH FRAGMENT17
Descriptor:PkB-like, GLYCEROL, SULFATE ION, ...
Authors:Campobasso, N., Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3STR
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STREP PEPTIDE DEFORMYLASE WITH A TIME DEPENDENT THIAZOLIDINE HYDROXAMIC ACID
Descriptor:Peptide deformylase 3, NICKEL (II) ION, SULFATE ION, ...
Authors:Campobasso, N., Ward, P.
Deposit date:2011-07-11
Release date:2011-07-27
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
3SVJ
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STREP PEPTIDE DEFORMYLASE WITH A TIME DEPENDENT THIAZOLIDINE AMIDE
Descriptor:Peptide deformylase 3, SULFATE ION, (4R)-3-(4-[4-(2-chlorophenyl)piperazin-1-yl]-6-{[2-methyl-6-(methylcarbamoyl)phenyl]amino}-1,3,5-triazin-2-yl)-N-methyl-1,3-thiazolidine-4-carboxamide, ...
Authors:Campobasso, N., Ward, P.
Deposit date:2011-07-12
Release date:2011-07-27
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
3SW8
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STREP PEPTIDE DEFORMYLASE WITH A TIME DEPENDENT DICHLOROBENZAMIDE-REVERSE HYDROXAMIC ACID
Descriptor:Peptide deformylase 3, NICKEL (II) ION, SULFATE ION, ...
Authors:Campobasso, N., Smith, K.J.
Deposit date:2011-07-13
Release date:2011-07-27
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
5HEX
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CRYSTAL STRUCTURE OF HUMAN HEXOKINASE 2 WITH CMPD 30, A 2-AMINO-6-BENZENESULFONAMIDE GLUCOSAMINE
Descriptor:Hexokinase-2, 5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-methyl-furan-3-carboxylic acid
Authors:Campobasso, N., Zhao, B., Smallwood, A.
Deposit date:2016-01-06
Release date:2016-03-30
Method:X-RAY DIFFRACTION (2.734 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HFU
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CRYSTAL STRUCTURE OF HUMAN HEXOKINASE 2 WITH CMPD 27, A 2-AMIDO-6-BENZENESULFONAMIDE GLUCOSAMINE
Descriptor:Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
Authors:Campobasso, N., Zhao, B., Smallwood, A.
Deposit date:2016-01-07
Release date:2016-03-30
Method:X-RAY DIFFRACTION (2.923 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HG1
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CRYSTAL STRUCTURE OF HUMAN HEXOKINASE 2 WITH CMPD 1, A C-2-SUBSTITUTED GLUCOSAMINE
Descriptor:Hexokinase-2, 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, BETA-D-GLUCOSE-6-PHOSPHATE, ...
Authors:Campobasso, N., Zhao, B., Smallwood, A.
Deposit date:2016-01-07
Release date:2016-03-30
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HX6
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CRYSTAL STRUCTURE OF RIP1 KINASE WITH A BENZO[B][1,4]OXAZEPIN-4-ONE
Descriptor:Receptor-interacting serine/threonine-protein kinase 1, 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
Authors:Campobasso, N., Ward, P.
Deposit date:2016-01-29
Release date:2016-03-02
Last modified:2016-03-23
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:DNA-Encoded Library Screening Identifies Benzo[b][1,4]oxazepin-4-ones as Highly Potent and Monoselective Receptor Interacting Protein 1 Kinase Inhibitors.
J.Med.Chem., 59, 2016
5TX5
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RIP1 KINASE ( FLAG 1-294, C34A, C127A, C233A, C240A) WITH GSK772
Descriptor:Receptor-interacting serine/threonine-protein kinase 1, 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide
Authors:Campobasso, N., Ward, P., Thrope, J.
Deposit date:2016-11-15
Release date:2017-07-05
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.
J. Med. Chem., 60, 2017
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