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1D7O
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CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN
Descriptor:ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Roujeinikova, A., Levy, C., Rowsell, S., Sedelnikova, S., Baker, P.J., Minshull, C.A., Mistry, A., Colls, J.G., Camble, R., Stuitje, A.R., Slabas, A.R., Rafferty, J.B., Pauptit, R.A., Viner, R., Rice, D.W.
Deposit date:1999-10-19
Release date:1999-11-08
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic analysis of triclosan bound to enoyl reductase.
J.Mol.Biol., 294, 1999
1H00
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CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
Authors:Beattie, J.F., Breault, G.A., Ellston, R.P.A., Green, S., Jewsbury, P.J., Midgley, C.J., Naven, R.T., Minshull, C.A., Pauptit, R.A., Tucker, J.A., Pease, J.E.
Deposit date:2002-06-10
Release date:2003-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
1H01
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CDK2 IN COMPLEX WITH A DISUBSTITUTED 2, 4-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR
Descriptor:CYCLIN-DEPENDENT KINASE 2, GLYCEROL, (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, ...
Authors:Breault, G.A., Ellston, R.P.A., Green, S., James, S.R., Jewsbury, P.J., Midgley, C.J., Minshull, C.A., Pauptit, R.A., Tucker, J.A., Pease, J.E.
Deposit date:2002-06-10
Release date:2003-07-11
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
1H07
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CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE
Authors:Beattie, J.F., Breault, G.A., Ellston, R.P.A., Green, S., Jewsbury, P.J., Midgley, C.J., Naven, R.T., Minshull, C.A., Pauptit, R.A., Tucker, J.A., Pease, J.E.
Deposit date:2002-06-11
Release date:2003-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
1H08
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CDK2 IN COMPLEX WITH A DISUBSTITUTED 2, 4-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, ...
Authors:Breault, G.A., Ellston, R.P.A., Green, S., James, S.R., Jewsbury, P.J., Midgley, C.J., Minshull, C.A., Pauptit, R.A., Tucker, J.A., Pease, J.E.
Deposit date:2002-06-11
Release date:2003-07-11
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
1OIQ
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IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION
Descriptor:CELL DIVISION PROTEIN KINASE 2, N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE
Authors:Beattie, J.F., Breault, G.A., Byth, K.F., Culshaw, J.D., Ellston, R.P.A., Green, S., Minshull, C.A., Norman, R.A., Pauptit, R.A., Thomas, A.P., Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1OIR
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IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION
Descriptor:CELL DIVISION PROTEIN KINASE 2, 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL
Authors:Beattie, J.F., Breault, G.A., Byth, K.F., Culshaw, J.D., Ellston, R.P.A., Green, S., Minshull, C.A., Norman, R.A., Pauptit, R.A., Thomas, A.P., Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1OIT
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IMIDAZOPYRIDINES: A POTENT AND SELECTIVE CLASS OF CYCLIN-DEPENDENT KINASE INHIBITORS IDENTIFIED THROUGH STRUCTURE-BASED HYBRIDISATION
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE
Authors:Beattie, J.F., Breault, G.A., Byth, K.F., Culshaw, J.D., Ellston, R.P.A., Green, S., Minshull, C.A., Norman, R.A., Pauptit, R.A., Thomas, A.P., Jewsbury, P.J.
Deposit date:2003-06-24
Release date:2003-09-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1UOU
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CRYSTAL STRUCTURE OF HUMAN THYMIDINE PHOSPHORYLASE IN COMPLEX WITH A SMALL MOLECULE INHIBITOR
Descriptor:THYMIDINE PHOSPHORYLASE, 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL
Authors:Norman, R.A., Barry, S.T., Bate, M., Breed, J., Colls, J.G., Ernill, R.J., Luke, R.W.A., Minshull, C.A., McAlister, M.S.B., McCall, E.J., McMiken, H.H.J., Paterson, D.S., Timms, D., Tucker, J.A., Pauptit, R.A.
Deposit date:2003-09-23
Release date:2004-01-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystal Structure of Human Thymidine Phosphorylase in Complex with a Small Molecule Inhibitor
Structure, 12, 2004
1URW
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CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-B]PYRIDAZINE
Descriptor:CELL DIVISION PROTEIN KINASE 2, 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
Authors:Byth, K.F., Cooper, N., Culshaw, J.D., Heaton, D.W., Oakes, S.E., Minshull, C.A., Norman, R.A., Pauptit, R.A., Tucker, J.A., Breed, J., Pannifer, A., Rowsell, S., Stanway, J.J., Valentine, A.L., Thomas, A.P.
Deposit date:2003-11-11
Release date:2004-04-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Imidazo[1,2-B]Pyridazines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1V1K
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CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL
Authors:Beattie, J.F., Breault, G.A., Ellston, R.P.A., Green, S., Jewsbury, P.J., Midgley, C.J., Naven, R.T., Minshull, C.A., Pauptit, R.A., Tucker, J.A., Pease, J.E.
Deposit date:2004-04-16
Release date:2004-05-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
2BGD
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STRUCTURE-BASED DESIGN OF PROTEIN TYROSINE PHOSPHATASE-1B INHIBITORS
Descriptor:PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1, 5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE, CHLORIDE ION, ...
Authors:Black, E., Breed, J., Breeze, A.L., Embrey, K., Garcia, R., Gero, T.W., Godfrey, L., Kenny, P.W., Morley, A.D., Minshull, C.A., Pannifer, A.D., Read, J., Rees, A., Russell, D.J., Toader, D., Tucker, J.
Deposit date:2004-12-21
Release date:2005-05-04
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
2BGE
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STRUCTURE-BASED DESIGN OF PROTEIN TYROSINE PHOSPHATASE-1B INHIBITORS
Descriptor:PROTEIN-TYROSINE PHOSPHATASE NON-RECEPTOR TYPE 1, 1,2,5-THIADIAZOLIDIN-3-ONE-1,1-DIOXIDE
Authors:Black, E., Breed, J., Breeze, A.L., Embrey, K., Garcia, R., Gero, T.W., Godfrey, L., Kenny, P.W., Morley, A.D., Minshull, C.A., Pannifer, A.D., Read, J., Rees, A., Russell, D.J., Toader, D., Tucker, J.
Deposit date:2004-12-21
Release date:2005-05-04
Last modified:2015-10-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design of Protein Tyrosine Phosphatase-1B Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1GKC
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MMP9-INHIBITOR COMPLEX
Descriptor:92 KDA TYPE IV COLLAGENASE, CALCIUM ION, N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide, ...
Authors:Rowsell, S., Pauptit, R.A.
Deposit date:2001-08-10
Release date:2002-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor
J.Mol.Biol., 319, 2002
1GKD
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MMP9 ACTIVE SITE MUTANT-INHIBITOR COMPLEX
Descriptor:92 KDA TYPE IV COLLAGENASE, CALCIUM ION, 2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID, ...
Authors:Rowsell, S., Pauptit, R.A.
Deposit date:2001-08-10
Release date:2002-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor
J.Mol.Biol., 319, 2002
1QG6
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CRYSTAL STRUCTURE OF E. COLI ENOYL ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH NAD AND TRICLOSAN
Descriptor:PROTEIN (ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Rowsell, S., Pauptit, R.A.
Deposit date:1999-04-20
Release date:1999-09-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Kinetic and structural characteristics of the inhibition of enoyl (acyl carrier protein) reductase by triclosan.
Biochemistry, 38, 1999
1D8A
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E. COLI ENOYL REDUCTASE/NAD+/TRICLOSAN COMPLEX
Descriptor:ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Levy, C.W., Roujeinikova, A., Sedelnikova, S., Baker, P.J., Stuitje, A.R., Slabas, A.R., Rice, D.W., Rafferty, J.B.
Deposit date:1999-10-21
Release date:1999-10-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis of triclosan activity.
Nature, 398, 1999