Author results

5MSF
  • Download 5msf
  • View 5msf
Molmil generated image of 5msf
MS2 PROTEIN CAPSID/RNA COMPLEX
分子名称:5'-R(*CP*CP*GP*GP*AP*GP*GP*AP*UP*CP*AP*CP*CP*AP*CP*GP*GP*G)-3', MS2 PROTEIN CAPSID
著者Rowsell, S., Stonehouse, N.J., Convery, M.A., Adams, C.J., Ellington, A.D., Hirao, I., Peabody, D.S., Stockley, P.G., Phillips, S.E.V.
登録日1998-05-15
公開日1998-11-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of a series of RNA aptamers complexed to the same protein target.
Nat.Struct.Biol., 5, 1998
7MSF
  • Download 7msf
  • View 7msf
Molmil generated image of 7msf
MS2 PROTEIN CAPSID/RNA COMPLEX
分子名称:5'-R(*UP*CP*GP*CP*CP*AP*AP*CP*AP*GP*GP*CP*GP*G)-3', MS2 PROTEIN CAPSID
著者Rowsell, S., Stonehouse, N.J., Convery, M.A., Adams, C.J., Ellington, A.D., Hirao, I., Peabody, D.S., Stockley, P.G., Phillips, S.E.V.
登録日1998-05-20
公開日1998-11-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of a series of RNA aptamers complexed to the same protein target.
Nat.Struct.Biol., 5, 1998
1CG2
  • Download 1cg2
  • View 1cg2
Molmil generated image of 1cg2
CARBOXYPEPTIDASE G2
分子名称:CARBOXYPEPTIDASE G2, ZINC ION
著者Rowsell, S., Pauptit, R.A., Tucker, A.D., Melton, R.G., Blow, D.M., Brick, P.
登録日1996-12-20
公開日1997-12-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of carboxypeptidase G2, a bacterial enzyme with applications in cancer therapy.
Structure, 5, 1997
1GKC
  • Download 1gkc
  • View 1gkc
Molmil generated image of 1gkc
MMP9-INHIBITOR COMPLEX
分子名称:92 KDA TYPE IV COLLAGENASE, CALCIUM ION, N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide, ...
著者Rowsell, S., Pauptit, R.A.
登録日2001-08-10
公開日2002-05-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称:92 KDA TYPE IV COLLAGENASE, CALCIUM ION, 2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID, ...
著者Rowsell, S., Pauptit, R.A.
登録日2001-08-10
公開日2002-05-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Mmp9 in Complex with a Reverse Hydroxamate Inhibitor
J.Mol.Biol., 319, 2002
1H6E
  • Download 1h6e
  • View 1h6e
Molmil generated image of 1h6e
MU2 ADAPTIN SUBUNIT (AP50) OF AP2 ADAPTOR (SECOND DOMAIN), COMPLEXED WITH CTLA-4 INTERNALIZATION PEPTIDE TTGVYVKMPPT
分子名称:CLATHRIN COAT ASSEMBLY PROTEIN AP50, CYTOTOXIC T-LYMPHOCYTE PROTEIN 4
著者Rowsell, S., Pauptit, R.A.
登録日2001-06-12
公開日2001-11-28
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Study of the Interaction of the Medium Chain Mu2 Subunit of the Clathrin-Associated Adapter Protein Complex 2 with Cytotoxic T-Lymphocyte Antigen 4 and Cd28
Biochem.J., 359, 2001
1QG6
  • Download 1qg6
  • View 1qg6
Molmil generated image of 1qg6
CRYSTAL STRUCTURE OF E. COLI ENOYL ACYL CARRIER PROTEIN REDUCTASE IN COMPLEX WITH NAD AND TRICLOSAN
分子名称:PROTEIN (ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Rowsell, S., Pauptit, R.A.
登録日1999-04-20
公開日1999-09-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Kinetic and structural characteristics of the inhibition of enoyl (acyl carrier protein) reductase by triclosan.
Biochemistry, 38, 1999
2YDI
  • Download 2ydi
  • View 2ydi
Molmil generated image of 2ydi
DISCOVERY OF CHECKPOINT KINASE INHIBITOR AZD7762 BY STRUCTURE BASED DESIGN AND OPTIMIZATION OF THIOPHENE CARBOXAMIDE UREAS
分子名称:SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION, 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE
著者Read, J.A., Breed, J., Haye, H., McCall, E., Rowsell, S., Vallentine, A., White, A.
登録日2011-03-21
公開日2012-04-04
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2YDJ
  • Download 2ydj
  • View 2ydj
Molmil generated image of 2ydj
DISCOVERY OF CHECKPOINT KINASE INHIBITOR AZD7762 BY STRUCTURE BASED DESIGN AND OPTIMIZATION OF THIOPHENE CARBOXAMIDE UREAS
分子名称:SERINE/THREONINE-PROTEIN KINASE CHK1, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION
著者Read, J.A., Breed, J., Haye, H., McCall, E., Rowsell, S., Vallentine, A., White, A.
登録日2011-03-22
公開日2012-01-25
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2YDK
  • Download 2ydk
  • View 2ydk
Molmil generated image of 2ydk
DISCOVERY OF CHECKPOINT KINASE INHIBITOR AZD7762 BY STRUCTURE BASED DESIGN AND OPTIMIZATION OF THIOPHENE CARBOXAMIDE UREAS
分子名称:SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION, GLYCEROL, ...
著者Read, J.A., Breed, J., Haye, H., McCall, E., Rowsell, S., Vallentine, A., White, A.
登録日2011-03-22
公開日2012-04-04
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
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
分子名称:ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者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.
登録日1999-10-19
公開日1999-11-08
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic analysis of triclosan bound to enoyl reductase.
J.Mol.Biol., 294, 1999
1EFC
  • Download 1efc
  • View 1efc
Molmil generated image of 1efc
INTACT ELONGATION FACTOR FROM E.COLI
分子名称:PROTEIN (ELONGATION FACTOR), MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
著者Song, H., Parsons, M.R., Rowsell, S., Leonard, G., Phillips, S.E.V.
登録日1998-11-24
公開日1999-03-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of intact elongation factor EF-Tu from Escherichia coli in GDP conformation at 2.05 A resolution.
J.Mol.Biol., 285, 1999
2C6D
  • Download 2c6d
  • View 2c6d
Molmil generated image of 2c6d
AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH ADPNP
分子名称:SERINE/THREONINE-PROTEIN KINASE 6, GLYCEROL, PHOSPHATE ION, ...
著者Pauptit, R.A., Pannifer, A.D., Breed, J., McMiken, H.H.J., Rowsell, S., Anderson, M.
登録日2005-11-09
公開日2006-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: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
著者Pauptit, R.A., Pannifer, A.D., Breed, J., McMiken, H.H.J., Rowsell, S., Anderson, M.
登録日2005-11-09
公開日2006-01-11
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Sar and Inhibitor Complex Structure Determination of a Novel Class of Potent and Specific Aurora Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
6MSF
  • Download 6msf
  • View 6msf
Molmil generated image of 6msf
F6 APTAMER MS2 COAT PROTEIN COMPLEX
分子名称:RNA (5'-R(*CP*CP*AP*CP*AP*GP*UP*CP*AP*CP*UP*GP*GP*G)-3'), RNA (5'-R(*CP*AP*GP*UP*CP*AP*CP*UP*GP*G)-3'), PROTEIN (MS2 PROTEIN CAPSID)
著者Convery, M.A., Rowsell, S., Stonehouse, N.J., Ellington, A.D., Hirao, I., Murray, J.B., Peabody, D.S., Phillips, S.E.V., Stockley, P.G.
登録日1998-01-06
公開日1998-07-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of an RNA aptamer-protein complex at 2.8 A resolution.
Nat.Struct.Biol., 5, 1998
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
分子名称:PHOSPHATIDYLINOSITOL 3-KINASE, BETA-PLATELET-DERIVED GROWTH FACTOR RECEPTOR
著者Pauptit, R.A., Rowsell, S., Breeze, A.L., Murshudov, G.N., Dennis, C.A., Derbyshire, D.J., Weston, S.A.
登録日2001-03-14
公開日2001-03-19
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献NMR Trial Models: Experiences with the Colicin Immunity Protein Im7 and the P85Alpha C-Terminal Sh2-Peptide Complex
Acta Crystallogr.,Sect.D, 57, 2001
1URW
  • Download 1urw
  • View 1urw
Molmil generated image of 1urw
CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-B]PYRIDAZINE
分子名称:CELL DIVISION PROTEIN KINASE 2, 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
著者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.
登録日2003-11-11
公開日2004-04-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Imidazo[1,2-B]Pyridazines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
2X8D
  • Download 2x8d
  • View 2x8d
Molmil generated image of 2x8d
DISCOVERY OF A NOVEL CLASS OF TRIAZOLONES AS CHECKPOINT KINASE INHIBITORS - HIT TO LEAD EXPLORATION
分子名称:SERINE/THREONINE-PROTEIN KINASE CHK1, 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SULFATE ION
著者Read, J.A., Breed, J., Haye, H., McCall, E., Rowsell, S., Vallentine, A., White, A.
登録日2010-03-08
公開日2010-08-11
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
2X8E
  • Download 2x8e
  • View 2x8e
Molmil generated image of 2x8e
DISCOVERY OF A NOVEL CLASS OF TRIAZOLONES AS CHECKPOINT KINASE INHIBITORS - HIT TO LEAD EXPLORATION
分子名称:SERINE/THREONINE-PROTEIN KINASE CHK1, 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SULFATE ION
著者Read, J.A., Breed, J., Haye, H., McCall, E., Rowsell, S., Vallentine, A., White, A.
登録日2010-03-09
公開日2010-08-11
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
3PZE
  • Download 3pze
  • View 3pze
Molmil generated image of 3pze
JNK1 IN COMPLEX WITH INHIBITOR
分子名称:Mitogen-activated protein kinase 8, SULFATE ION, 3-(carbamoylamino)-5-phenylthiophene-2-carboxamide
著者Xue, Y.
登録日2010-12-14
公開日2011-12-14
最終更新日2018-03-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2VWU
  • Download 2vwu
  • View 2vwu
Molmil generated image of 2vwu
EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
分子名称:EPHRIN TYPE-B RECEPTOR 4, N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
著者Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Barratt, D., Rowsell, S., Packer, M., McAlister, M.
登録日2008-06-27
公開日2008-07-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines
Bioorg.Med.Chem.Lett., 18, 2008
2GJ4
  • Download 2gj4
  • View 2gj4
Molmil generated image of 2gj4
STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH LIGAND
分子名称:Glycogen phosphorylase, muscle form, SULFATE ION, ...
著者Otterbein, L.R., Pannifer, A.D., Tucker, J., Breed, J., Oikonomakos, N.G., Rowsell, S., Pauptit, R.A., Claire, M.
登録日2006-03-30
公開日2007-02-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
2GM9
  • Download 2gm9
  • View 2gm9
Molmil generated image of 2gm9
STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH THIENOPYRROLE
分子名称:Glycogen phosphorylase, muscle form, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, ...
著者Otterbein, L.R., Pannifer, A.D., Tucker, J., Breed, J., Oikonomakos, N.G., Minshull, C., Rowsell, S., Pauptit, R.A.
登録日2006-04-06
公開日2007-02-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
2H8H
  • Download 2h8h
  • View 2h8h
Molmil generated image of 2h8h
SRC KINASE IN COMPLEX WITH A QUINAZOLINE INHIBITOR
分子名称:Proto-oncogene tyrosine-protein kinase Src, N-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-(TETRAHYDRO-2H-PYRAN-4-YLOXY)QUINAZOLIN-4-AMINE
著者Otterbein, L.R., Norman, R., Pauptit, R.A., Rowsell, S., Breed, J.
登録日2006-06-07
公開日2006-11-21
最終更新日2015-07-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献N-(5-chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine, a novel, highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor.
J.Med.Chem., 49, 2006
2IEG
  • Download 2ieg
  • View 2ieg
Molmil generated image of 2ieg
CRYSTAL STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH 3,4-DIHYDRO-2-QUINOLONE
分子名称:Glycogen phosphorylase, muscle form, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, ...
著者Birch, A.M., Kenny, P.W., Oikonomakos, N.G., Otterbein, L., Schofield, P., Whittamore, P.R.O., Whalley, D.P., Rowsell, S., Pauptit, R., Pannifer, A., Breed, J., Minshull, C.
登録日2006-09-19
公開日2006-12-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
<12>