Author results

1PMI
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CANDIDA ALBICANS PHOSPHOMANNOSE ISOMERASE
Descriptor:PHOSPHOMANNOSE ISOMERASE, ZINC ION
Authors:Cleasby, A., Skarzynski, T., Wonacott, A., Davies, G.J., Hubbard, R.E., Proudfoot, A.E.I., Wells, T.N.C., Payton, M.A., Bernard, A.R.
Deposit date:1996-04-03
Release date:1997-03-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The x-ray crystal structure of phosphomannose isomerase from Candida albicans at 1.7 angstrom resolution.
Nat.Struct.Biol., 3, 1996
4CXI
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BTB DOMAIN OF KEAP1
Descriptor:KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Cleasby, A., Yon, J., Day, P.J., Richardson, C., Tickle, I.J., Williams, P.A., Callahan, J.F., Carr, R., Concha, N., Kerns, J.K., Qi, H., Sweitzer, T., Ward, P., Davies, T.G.
Deposit date:2014-04-07
Release date:2014-06-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
4CXJ
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BTB DOMAIN OF KEAP1 C151W MUTANT
Descriptor:KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Cleasby, A., Yon, J., Day, P.J., Richardson, C., Tickle, I.J., Williams, P.A., Callahan, J.F., Carr, R., Concha, N., Kerns, J.K., Qi, H., Sweitzer, T., Ward, P., Davies, T.G.
Deposit date:2014-04-07
Release date:2014-06-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
4CXT
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BTB DOMAIN OF KEAP1 IN COMPLEX WITH CDDO
Descriptor:KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, (13alpha,18alpha)-2-cyano-3-hydroxy-12-oxooleana-2,9(11)-dien-28-oic acid
Authors:Cleasby, A., Yon, J., Day, P.J., Richardson, C., Tickle, I.J., Williams, P.A., Callahan, J.F., Carr, R., Concha, N., Kerns, J.K., Qi, H., Sweitzer, T., Ward, P., Davies, T.G.
Deposit date:2014-04-08
Release date:2014-06-18
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
1WBN
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FRAGMENT BASED P38 INHIBITORS
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)-N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA
Authors:Cleasby, A., Devine, L.A., Gill, A.L., Jhoti, H.
Deposit date:2004-11-04
Release date:2005-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation.
J.Med.Chem., 48, 2005
1WBO
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FRAGMENT BASED P38 INHIBITORS
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 14, 2-CHLOROPHENOL
Authors:Cleasby, A., Devine, L., Gill, A., Jhoti, H.
Deposit date:2004-11-04
Release date:2005-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1A4G
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INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH ZANAMIVIR
Descriptor:NEURAMINIDASE, N-ACETYL-D-GLUCOSAMINE, CALCIUM ION, ...
Authors:Cleasby, A., Singh, O., Skarzynski, T., Wonacott, A.J.
Deposit date:1998-01-29
Release date:1999-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B.
J.Med.Chem., 41, 1998
1A4Q
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INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH DIHYDROPYRAN-PHENETHYL-PROPYL-CARBOXAMIDE
Descriptor:NEURAMINIDASE, N-ACETYL-D-GLUCOSAMINE, CALCIUM ION, ...
Authors:Cleasby, A., Singh, O., Skarzynski, T., Wonacott, A.J.
Deposit date:1998-01-30
Release date:1999-03-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B.
J.Med.Chem., 41, 1998
1WBU
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FRAGMENT BASED LEAD DISCOVERY USING CRYSTALLOGRAPHY
Descriptor:RIBONUCLEASE, 5-AMINO-1H-PYRIMIDINE-2,4-DIONE
Authors:Cleasby, A., Hartshorn, M.J., Murray, C.W., Jhoti, H., Tickle, I.J.
Deposit date:2004-11-05
Release date:2005-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1WCC
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SCREENING FOR FRAGMENT BINDING BY X-RAY CRYSTALLOGRAPHY
Descriptor:CELL DIVISION PROTEIN KINASE 2, 2-AMINO-6-CHLOROPYRAZINE
Authors:Cleasby, A., O'Reilly, M., Hartshorn, M.J., Murray, C.W., Tickle, I.J., Jhoti, H., Frederickson, M.
Deposit date:2004-11-12
Release date:2005-01-27
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1TAH
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THE CRYSTAL STRUCTURE OF TRIACYLGLYCEROL LIPASE FROM PSEUDOMONAS GLUMAE REVEALS A PARTIALLY REDUNDANT CATALYTIC ASPARTATE
Descriptor:LIPASE, CALCIUM ION
Authors:Noble, M.E.M., Cleasby, A., Johnson, L.N., Egmond, M., Frenken, L.G.J.
Deposit date:1993-12-21
Release date:1994-05-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of triacylglycerol lipase from Pseudomonas glumae reveals a partially redundant catalytic aspartate.
FEBS Lett., 331, 1993
1TCU
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CRYSTAL STRUCTURE OF THE PURINE NUCLEOSIDE PHOSPHORYLASE FROM SCHISTOSOMA MANSONI IN COMPLEX WITH PHOSPHATE AND ACETATE
Descriptor:purine-nucleoside phosphorylase, ACETATE ION, PHOSPHATE ION, ...
Authors:Pereira, H.D., Franco, G.R., Cleasby, A., Garratt, R.C.
Deposit date:2004-05-21
Release date:2005-05-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures for the Potential Drug Target Purine Nucleoside Phosphorylase from Schistosoma mansoni Causal Agent of Schistosomiasis.
J.Mol.Biol., 353, 2005
1TCV
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CRYSTAL STRUCTURE OF THE PURINE NUCLEOSIDE PHOSPHORYLASE FROM SCHISTOSOMA MANSONI IN COMPLEX WITH NON-DETERGENT SULFOBETAINE 195 AND ACETATE
Descriptor:purine-nucleoside phosphorylase, ACETATE ION, ETHYL DIMETHYL AMMONIO PROPANE SULFONATE
Authors:Pereira, H.D., Franco, G.R., Cleasby, A., Garratt, R.C.
Deposit date:2004-05-21
Release date:2005-05-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structures for the Potential Drug Target Purine Nucleoside Phosphorylase from Schistosoma mansoni Causal Agent of Schistosomiasis.
J.Mol.Biol., 353, 2005
1TD1
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CRYSTAL STRUCTURE OF THE PURINE NUCLEOSIDE PHOSPHORYLASE FROM SCHISTOSOMA MANSONI IN COMPLEX WITH ACETATE
Descriptor:purine-nucleoside phosphorylase, ACETATE ION
Authors:Pereira, H.D., Franco, G.R., Cleasby, A., Garratt, R.C.
Deposit date:2004-05-21
Release date:2005-05-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures for the Potential Drug Target Purine Nucleoside Phosphorylase from Schistosoma mansoni Causal Agent of Schistosomiasis.
J.Mol.Biol., 353, 2005
3E0Q
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CRYSTAL STRUCTURE OF SCHISTOSOMA MANSONI PURINE NUCLEOSIDE PHOSPHORYLASE COMPLEXED WITH A NOVEL MONOCYCLIC INHIBITOR
Descriptor:Purine-nucleoside phosphorylase, DIMETHYL SULFOXIDE, 6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
Authors:Pereira, H.M., Berdini, V., Ferri, M.R., Cleasby, A., Garratt, R.C.
Deposit date:2008-07-31
Release date:2009-08-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of Schistosoma purine nucleoside phosphorylase complexed with a novel monocyclic inhibitor.
Acta Trop., 114, 2010
1W82
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P38 KINASE CRYSTAL STRUCTURE IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'-(4-CHLOROPHENYL)UREA
Authors:Tickle, J., Jhoti, H., Cleasby, A., Devine, L.
Deposit date:2004-09-16
Release date:2005-02-08
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of Novel P38Alpha Map Kinase Inhibitors Using Fragment-Based Lead Generation
J.Med.Chem., 48, 2005
1AWF
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NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
Descriptor:ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER
Authors:Jhoti, H., Cleasby, A., Wonacott, A.
Deposit date:1997-10-02
Release date:1998-10-28
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
1AWH
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NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
Descriptor:ALPHA THROMBIN, 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID
Authors:Jhoti, H., Cleasby, A., Wonacott, A.
Deposit date:1997-10-02
Release date:1998-10-28
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies.
Biochemistry, 37, 1998
1QHR
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
Descriptor:ALPHA THROMBIN, HIRUGEN, 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE
Authors:Jhoti, H., Cleasby, A., Reid, S., Thomas, P., Wonacott, A.
Deposit date:1999-05-26
Release date:2000-05-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template.
Biochemistry, 38, 1999
1QJ1
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
Descriptor:THROMBIN, HIRUGEN, 6-CARBAMIMIDOYL-2-[2-HYDROXY-6-(4-HYDROXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
Authors:Jhoti, H., Cleasby, A.
Deposit date:1999-06-21
Release date:2000-06-22
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1QJ6
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
Descriptor:THROMBIN, HIRUGEN, 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID
Authors:Jhoti, H., Cleasby, A.
Deposit date:1999-06-22
Release date:2000-06-22
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1QJ7
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NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS
Descriptor:THROMBIN, HIRUGEN, 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID
Authors:Jhoti, H., Cleasby, A.
Deposit date:1999-06-22
Release date:2000-06-22
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template
Biochemistry, 38, 1999
1W7H
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P38 KINASE CRYSTAL STRUCTURE IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 14, 3-(BENZYLOXY)PYRIDIN-2-AMINE
Authors:Jhoti, H., Gill, A., Cleasby, A., Devine, L.
Deposit date:2004-09-02
Release date:2005-02-08
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1W83
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P38 KINASE CRYSTAL STRUCTURE IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO-
Authors:Tickle, J., Jhoti, H., Cleasby, A., Devine, L.
Deposit date:2004-09-16
Release date:2005-02-08
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
J. Med. Chem., 48, 2005
1W84
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P38 KINASE CRYSTAL STRUCTURE IN COMPLEX WITH SMALL MOLECULE INHIBITOR
Descriptor:MITOGEN-ACTIVATED PROTEIN KINASE 14, 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE
Authors:Tickle, J., Jhoti, H., Cleasby, A., Devine, L.
Deposit date:2004-09-16
Release date:2005-02-08
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.
J. Med. Chem., 48, 2005