Author results

1H9O
  • Download 1h9o
  • View 1h9o
Molmil generated image of 1h9o
PHOSPHATIDYLINOSITOL 3-KINASE, P85-ALPHA SUBUNIT: C-TERMINAL SH2 DOMAIN COMPLEXED WITH A TYR751 PHOSPHOPEPTIDE FROM THE PDGF RECEPTOR, CRYSTAL STRUCTURE AT 1.79 A
Descriptor:PHOSPHATIDYLINOSITOL 3-KINASE, BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR
Authors:Pauptit, R.A., Rowsell, S., Breeze, A.L., Murshudov, G.N., Dennis, C.A., Derbyshire, D.J., Weston, S.A.
Deposit date:2001-03-14
Release date:2001-03-19
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:NMR Trial Models: Experiences with the Colicin Immunity Protein Im7 and the P85Alpha C-Terminal Sh2-Peptide Complex
Acta Crystallogr.,Sect.D, 57, 2001
2C6D
  • Download 2c6d
  • View 2c6d
Molmil generated image of 2c6d
AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH ADPNP
Descriptor:SERINE/THREONINE-PROTEIN KINASE 6, GLYCEROL, PHOSPHATE ION, ...
Authors:Pauptit, R.A., Pannifer, A.D., Breed, J., McMiken, H.H.J., Rowsell, S., Anderson, M.
Deposit date:2005-11-09
Release date:2006-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2C6E
  • Download 2c6e
  • View 2c6e
Molmil generated image of 2c6e
AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH A 5- AMINOPYRIMIDINYL QUINAZOLINE INHIBITOR
Descriptor:SERINE/THREONINE-PROTEIN KINASE 6, N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
Authors:Pauptit, R.A., Pannifer, A.D., Breed, J., McMiken, H.H.J., Rowsell, S., Anderson, M.
Deposit date:2005-11-09
Release date:2006-01-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
1AJ6
  • Download 1aj6
  • View 1aj6
Molmil generated image of 1aj6
NOVOBIOCIN-RESISTANT MUTANT (R136H) OF THE N-TERMINAL 24 KDA FRAGMENT OF DNA GYRASE B COMPLEXED WITH NOVOBIOCIN AT 2.3 ANGSTROMS RESOLUTION
Descriptor:GYRASE, NOVOBIOCIN
Authors:Weston, S.A., Tunnicliffe, A., Pauptit, R.A.
Deposit date:1997-05-15
Release date:1998-05-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study.
Biochemistry, 36, 1997
1OPF
  • Download 1opf
  • View 1opf
Molmil generated image of 1opf
THE STRUCTURE OF OMPF PORIN IN A TETRAGONAL CRYSTAL FORM
Descriptor:MATRIX PORIN OUTER MEMBRANE PROTEIN F
Authors:Cowan, S.W., Schirmer, T., Pauptit, R.A., Jansonius, J.N.
Deposit date:1994-11-21
Release date:1995-02-07
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of OmpF porin in a tetragonal crystal form.
Structure, 3, 1995
1CG2
  • Download 1cg2
  • View 1cg2
Molmil generated image of 1cg2
CARBOXYPEPTIDASE G2
Descriptor:CARBOXYPEPTIDASE G2, ZINC ION
Authors:Rowsell, S., Pauptit, R.A., Tucker, A.D., Melton, R.G., Blow, D.M., Brick, P.
Deposit date:1996-12-20
Release date:1997-12-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of carboxypeptidase G2, a bacterial enzyme with applications in cancer therapy.
Structure, 5, 1997
1NMT
  • Download 1nmt
  • View 1nmt
Molmil generated image of 1nmt
N-MYRISTOYL TRANSFERASE FROM CANDIDA ALBICANS AT 2.45 A
Descriptor:N-MYRISTOYL TRANSFERASE, GLYCEROL
Authors:Weston, S.A., Pauptit, R.A.
Deposit date:1997-12-11
Release date:1999-01-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal structure of the anti-fungal target N-myristoyl transferase.
Nat.Struct.Biol., 5, 1998
1NPC
  • Download 1npc
  • View 1npc
Molmil generated image of 1npc
THE STRUCTURE OF NEUTRAL PROTEASE FROM BACILLUS CEREUS AT 0.2-NM RESOLUTION
Descriptor:NEUTRAL PROTEASE, CALCIUM ION, ZINC ION
Authors:Stark, W., Pauptit, R.A., Jansonius, J.N.
Deposit date:1992-01-08
Release date:1993-10-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of neutral protease from Bacillus cereus at 0.2-nm resolution.
Eur.J.Biochem., 207, 1992
1OIQ
  • Download 1oiq
  • View 1oiq
Molmil generated image of 1oiq
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
  • Download 1oir
  • View 1oir
Molmil generated image of 1oir
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
  • Download 1oit
  • View 1oit
Molmil generated image of 1oit
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
  • Download 1uou
  • View 1uou
Molmil generated image of 1uou
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
  • Download 1urw
  • View 1urw
Molmil generated image of 1urw
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
2BAJ
  • Download 2baj
  • View 2baj
Molmil generated image of 2baj
P38ALPHA BOUND TO PYRAZOLOUREA
Descriptor:Mitogen-activated protein kinase 14, 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea
Authors:Gerhardt, S., Pauptit, R.A., Read, J., Breed, J., Norman, R.A., Ward, W.H.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2012-12-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAK
  • Download 2bak
  • View 2bak
Molmil generated image of 2bak
P38ALPHA MAP KINASE BOUND TO MPAQ
Descriptor:Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
Authors:Gerhardt, S., Breed, J., Pauptit, R.A., Read, J., Norman, R.A., Ward, W.H.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAL
  • Download 2bal
  • View 2bal
Molmil generated image of 2bal
P38ALPHA MAP KINASE BOUND TO PYRAZOLOAMINE
Descriptor:Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
Authors:Gerhardt, S., Pauptit, R.A., Read, J., Tucker, J., Norman, R.A., Breed, J.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2BAQ
  • Download 2baq
  • View 2baq
Molmil generated image of 2baq
P38ALPHA BOUND TO RO3201195
Descriptor:Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
Authors:Gerhardt, S., Pauptit, R.A., Breed, J., Read, J., Tucker, J., Norman, R.A.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2VXS
  • Download 2vxs
  • View 2vxs
Molmil generated image of 2vxs
STRUCTURE OF IL-17A IN COMPLEX WITH A POTENT, FULLY HUMAN NEUTRALISING ANTIBODY
Descriptor:INTERLEUKIN-17A, FAB FRAGMENT, SULFATE ION
Authors:Gerhardt, S., Hargreaves, D., Pauptit, R.A., Davies, R.A., Russell, C., Welsh, F., Tuske, S.J., Coales, S.J., Hamuro, Y., Needham, M.R.C., Langham, C., Barker, W., Bell, P., Aziz, A., Smith, M.J., Dawson, S., Abbott, W.M.
Deposit date:2008-07-09
Release date:2009-07-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody.
J.Mol.Biol., 394, 2009
1AYI
  • Download 1ayi
  • View 1ayi
Molmil generated image of 1ayi
COLICIN E7 IMMUNITY PROTEIN IM7
Descriptor:COLICIN E IMMUNITY PROTEIN 7
Authors:Dennis, C.A., Pauptit, R.A., Wallis, R., James, R., Moore, G.R., Kleanthous, C.
Deposit date:1997-11-04
Release date:1998-01-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural comparison of the colicin immunity proteins Im7 and Im9 gives new insights into the molecular determinants of immunity-protein specificity.
Biochem.J., 333 ( Pt 1), 1998
1D7O
  • Download 1d7o
  • View 1d7o
Molmil generated image of 1d7o
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
1GKC
  • Download 1gkc
  • View 1gkc
Molmil generated image of 1gkc
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
  • Download 1gkd
  • View 1gkd
Molmil generated image of 1gkd
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
1H00
  • Download 1h00
  • View 1h00
Molmil generated image of 1h00
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
  • Download 1h01
  • View 1h01
Molmil generated image of 1h01
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
  • Download 1h07
  • View 1h07
Molmil generated image of 1h07
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
<123>