Author results

1CG2
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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
1D2E
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CRYSTAL STRUCTURE OF MITOCHONDRIAL EF-TU IN COMPLEX WITH GDP
Descriptor:ELONGATION FACTOR TU (EF-TU), MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Andersen, G.R., Thirup, S., Spremulli, L.L., Nyborg, J.
Deposit date:1999-09-23
Release date:1999-09-28
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:High resolution crystal structure of bovine mitochondrial EF-Tu in complex with GDP.
J.Mol.Biol., 297, 2000
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
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
1EFC
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INTACT ELONGATION FACTOR FROM E.COLI
Descriptor:PROTEIN (ELONGATION FACTOR), MAGNESIUM ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Song, H., Parsons, M.R., Rowsell, S., Leonard, G., Phillips, S.E.V.
Deposit date:1998-11-24
Release date:1999-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of intact elongation factor EF-Tu from Escherichia coli in GDP conformation at 2.05 A resolution.
J.Mol.Biol., 285, 1999
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
1H6E
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MU2 ADAPTIN SUBUNIT (AP50) OF AP2 ADAPTOR (SECOND DOMAIN), COMPLEXED WITH CTLA-4 INTERNALIZATION PEPTIDE TTGVYVKMPPT
Descriptor:CLATHRIN COAT ASSEMBLY PROTEIN AP50, CYTOTOXIC T-LYMPHOCYTE PROTEIN 4
Authors:Rowsell, S., Pauptit, R.A.
Deposit date:2001-06-12
Release date:2001-11-28
Last modified:2019-05-29
Method:X-RAY DIFFRACTION (3.6 Å)
Cite: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
1H9O
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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
1LS2
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FITTING OF EF-TU AND TRNA IN THE LOW RESOLUTION CRYO-EM MAP OF AN EF-TU TERNARY COMPLEX (GDP AND KIRROMYCIN) BOUND TO E. COLI 70S RIBOSOME
Descriptor:Phenylalanine transfer RNA, Elongation Factor Tu
Authors:Valle, M., Sengupta, J., Swami, N.K., Grassucci, R.A., Burkhardt, N., Nierhaus, K.H., Agrawal, R.K., Frank, J.
Deposit date:2002-05-16
Release date:2002-06-26
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (16.799999 Å)
Cite:Cryo-EM reveals an active role for aminoacyl-tRNA in the accommodation process.
EMBO J., 21, 2002
1LU3
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SEPARATE FITTING OF THE ANTICODON LOOP REGION OF TRNA (NUCLEOTIDE 26-42) IN THE LOW RESOLUTION CRYO-EM MAP OF AN EF-TU TERNARY COMPLEX (GDP AND KIRROMYCIN) BOUND TO E. COLI 70S RIBOSOME
Descriptor:PHENYLALANINE TRANSFER RNA
Authors:Valle, M., Sengupta, J., Swami, N.K., Grassucci, R.A., Burkhardt, N., Nierhaus, K.H., Agrawal, R.K., Frank, J.
Deposit date:2002-05-21
Release date:2002-06-26
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (16.799999 Å)
Cite:Cryo-EM reveals an active role for aminoacyl-tRNA in the accommodation process.
EMBO J., 21, 2002
1NMT
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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
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
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
2C6D
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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
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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
2GJ4
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STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH LIGAND
Descriptor:Glycogen phosphorylase, muscle form, SULFATE ION, ...
Authors:Otterbein, L.R., Pannifer, A.D., Tucker, J., Breed, J., Oikonomakos, N.G., Rowsell, S., Pauptit, R.A., Claire, M.
Deposit date:2006-03-30
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
2GM9
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STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH THIENOPYRROLE
Descriptor:Glycogen phosphorylase, muscle form, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, ...
Authors:Otterbein, L.R., Pannifer, A.D., Tucker, J., Breed, J., Oikonomakos, N.G., Minshull, C., Rowsell, S., Pauptit, R.A.
Deposit date:2006-04-06
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.
Bioorg.Med.Chem.Lett., 16, 2006
2H8H
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SRC KINASE IN COMPLEX WITH A QUINAZOLINE INHIBITOR
Descriptor: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
Authors:Otterbein, L.R., Norman, R., Pauptit, R.A., Rowsell, S., Breed, J.
Deposit date:2006-06-07
Release date:2006-11-21
Last modified:2015-07-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
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CRYSTAL STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH 3,4-DIHYDRO-2-QUINOLONE
Descriptor:Glycogen phosphorylase, muscle form, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, ...
Authors: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.
Deposit date:2006-09-19
Release date:2006-12-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2IEI
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CRYSTAL STRUCTURE OF RABBIT MUSCLE GLYCOGEN PHOSPHORYLASE IN COMPLEX WITH 3,4-DIHYDRO-2-QUINOLONE
Descriptor:Glycogen phosphorylase, muscle form, (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, ...
Authors: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.
Deposit date:2006-09-19
Release date:2006-12-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Development of potent, orally active 1-substituted-3,4-dihydro-2-quinolone glycogen phosphorylase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
2VWU
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EPHB4 KINASE DOMAIN INHIBITOR COMPLEX
Descriptor:EPHRIN TYPE-B RECEPTOR 4, N-(5-chloro-1,3-benzodioxol-4-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
Authors:Read, J., Brassington, C.A., Green, I., McCall, E.J., Valentine, A.L., Barratt, D., Rowsell, S., Packer, M., McAlister, M.
Deposit date:2008-06-27
Release date:2008-07-08
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
2WQB
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STRUCTURE OF THE TIE2 KINASE DOMAIN IN COMPLEX WITH A THIAZOLOPYRIMIDINE INHIBITOR
Descriptor:ANGIOPOIETIN-1 RECEPTOR, 2-[3-(CYCLOHEXYLMETHYL)-5-PHENYL-IMIDAZOL-4-YL]-[1,3]THIAZOLO[4,5-E]PYRIMIDIN-7-AMINE
Authors:Brassington, C., Breed, J., Buttar, D., Fitzek, M., Forder, C., Hassall, L., Hayter, B.R., Jones, C.D., Luke, R.W.A., McCall, E., McCoull, W., Norman, R., Paterson, D., McMiken, H., Rowsell, S., Tucker, J.A.
Deposit date:2009-08-18
Release date:2009-11-03
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Novel Thienopyrimidine and Thiazolopyrimidine Kinase Inhibitors with Activity Against Tie-2 in Vitro and in Vivo.
Bioorg.Med.Chem.Lett., 19, 2009
2X8D
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DISCOVERY OF A NOVEL CLASS OF TRIAZOLONES AS CHECKPOINT KINASE INHIBITORS - HIT TO LEAD EXPLORATION
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SULFATE ION
Authors:Read, J.A., Breed, J., Haye, H., McCall, E., Rowsell, S., Vallentine, A., White, A.
Deposit date:2010-03-08
Release date:2010-08-11
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
2X8E
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DISCOVERY OF A NOVEL CLASS OF TRIAZOLONES AS CHECKPOINT KINASE INHIBITORS - HIT TO LEAD EXPLORATION
Descriptor:SERINE/THREONINE-PROTEIN KINASE CHK1, 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SULFATE ION
Authors:Read, J.A., Breed, J., Haye, H., McCall, E., Rowsell, S., Vallentine, A., White, A.
Deposit date:2010-03-09
Release date:2010-08-11
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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