Author results

1R7S
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PUTIDAREDOXIN (FE2S2 FERREDOXIN), C73G MUTANT
Descriptor:Putidaredoxin, FE2/S2 (INORGANIC) CLUSTER
Authors:Smith, N., Mayhew, M., Kelly, H., Robinson, H., Heroux, A., Holden, M.J., Gallagher, D.T.
Deposit date:2003-10-22
Release date:2004-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of C73G putidaredoxin from Pseudomonas putida.
Acta Crystallogr.,Sect.D, 60, 2004
1JD3
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CHORISMATE LYASE G90A MUTANT WITH BOUND PRODUCT
Descriptor:chorismate lyase, P-HYDROXYBENZOIC ACID
Authors:Mayhew, M., Smith, N., Holden, M.J., Gallagher, D.T.
Deposit date:2001-06-12
Release date:2001-06-20
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006
1XLR
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CHORISMATE LYASE WITH INHIBITOR VANILLATE
Descriptor:Chorismate--pyruvate lyase, 4-HYDROXY-3-METHOXYBENZOATE
Authors:Gallagher, D.T., Smith, N.
Deposit date:2004-09-30
Release date:2004-11-09
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006
2Y37
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THE DISCOVERY OF NOVEL, POTENT AND HIGHLY SELECTIVE INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE (INOS)
Descriptor:NITRIC OXIDE SYNTHASE, INDUCIBLE, SULFATE ION, ...
Authors:Cheshire, D.R., Andrews, G., Beaton, H.G., Birkinshaw, T.N., Boughton-Smith, N., Connolly, S., Cook, T.R., Cooper, A., Cooper, S.L., Cox, D., Dixon, J., Gensmantel, N., Hamley, P.J., Harrison, R., Hartopp, P., Kack, H., Luker, T., Mete, A., Millichip, I., Nicholls, D.J., Pimm, A.D., St-Gallay, S.A., Wallace, A.V.
Deposit date:2010-12-19
Release date:2011-04-13
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
4UX6
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THE DISCOVERY OF NOVEL, POTENT AND HIGHLY SELECTIVE INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE (INOS)
Descriptor:NITRIC OXIDE SYNTHASE, INDUCIBLE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Cheshire, D.R., Andrews, G., Beaton, H.G., Birkinshaw, T., Boughton-Smith, N., Connolly, S., Cook, T.R., Cooper, A., Cooper, S.L., Cox, D., Dixon, J., Gensmantel, N., Hamley, P.J., Harrison, R., Hartopp, P., Kack, H., Luker, T., Mete, A., Millichip, I., Nicholls, D.J., Pimm, A.D., St-Gallay, S.A., Wallace, A.V.
Deposit date:2014-08-19
Release date:2014-10-08
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
2WHJ
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UNDERSTANDING HOW DIVERSE MANNANASES RECOGNISE HETEROGENEOUS SUBSTRATES
Descriptor:BETA-MANNANASE, GLYCEROL, ACETATE ION, ...
Authors:Tailford, L.E., Ducros, V.M.A., Flint, J.E., Roberts, S.M., Morland, C., Zechel, D.L., Smith, N., Bjornvad, M.E., Borchert, T.V., Wilson, K.S., Davies, G.J., Gilbert, H.J.
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
2WHL
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UNDERSTANDING HOW DIVERSE MANNANASES RECOGNISE HETEROGENEOUS SUBSTRATES
Descriptor:BETA-MANNANASE, ACETATE ION, ALPHA-D-MANNOSE, ...
Authors:Tailford, L.E., Ducros, V.M.A., Flint, J.E., Roberts, S.M., Morland, C., Zechel, D.L., Smith, N., Bjornvad, M.E., Borchert, T.V., Wilson, K.S., Davies, G.J., Gilbert, H.J.
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2012-11-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
2WZS
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STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT3990 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 IN COMPLEX WITH MANNOIMIDAZOLE
Descriptor:PUTATIVE ALPHA-1,2-MANNOSIDASE, CALCIUM ION, (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ...
Authors:Zhu, Y., Suits, M.D.L., Thompson, A., Chavan, S., Dinev, Z., Dumon, C., Smith, N., Moremen, K.W., Xiang, Y., Siriwardena, A., Williams, S.J., Gilbert, H.J., Davies, G.J.
Deposit date:2009-12-02
Release date:2009-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
1TT8
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CHORISMATE LYASE WITH PRODUCT, 1.0 A RESOLUTION
Descriptor:Chorismate-pyruvate lyase, P-HYDROXYBENZOIC ACID
Authors:Gallagher, D.T., Mayhew, M., Holden, M.J., Vilker, V., Howard, A.
Deposit date:2004-06-22
Release date:2004-12-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural analysis of ligand binding and catalysis in chorismate lyase.
Arch.Biochem.Biophys., 445, 2006
2VOT
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STRUCTURAL AND BIOCHEMICAL EVIDENCE FOR A BOAT-LIKE TRANSITION STATE IN BETA-MANNOSIDASES
Descriptor:BETA-MANNOSIDASE, (5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, 1,2-ETHANEDIOL, ...
Authors:Tailford, L.N., Offen, W.A., Smith, N., Dumon, C., Moreland, C., Gratien, J., Heck, M.-P., Stick, R.V., Bleriot, Y., Vasella, A., Gilbert, H.J., Davies, G.J.
Deposit date:2008-02-20
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
1OMO
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ALANINE DEHYDROGENASE DIMER W/BOUND NAD (ARCHAEAL)
Descriptor:alanine dehydrogenase, SODIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Gallagher, D.T., Smith, N.N., Holden, M.J., Schroeder, I., Monbouquette, H.G.
Deposit date:2003-02-25
Release date:2004-07-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure of alanine dehydrogenase from Archaeoglobus: active site analysis and relation to bacterial cyclodeaminases and mammalian mu crystallin.
J.Mol.Biol., 342, 2004
2CCL
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THE S45A, T46A MUTANT OF THE TYPE I COHESIN-DOCKERIN COMPLEX FROM THE CELLULOSOME OF CLOSTRIDIUM THERMOCELLUM
Descriptor:CELLULOSOMAL SCAFFOLDING PROTEIN A, ENDO-1,4-BETA-XYLANASE Y, PHOSPHATE ION, ...
Authors:Carvalho, A.L., Dias, F.M.V., Prates, J.A.M., Ferreira, L.M.A., Gilbert, H.J., Davies, G.J., Romao, M.J., Fontes, C.M.G.A.
Deposit date:2006-01-16
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Evidence for a Dual Binding Mode of Dockerin Modules to Cohesins.
Proc.Natl.Acad.Sci.USA, 104, 2007
2WHK
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STRUCTURE OF BACILLUS SUBTILIS MANNANASE MAN26
Descriptor:MANNAN ENDO-1,4-BETA-MANNOSIDASE, GLYCEROL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Ducros, V.M.A., Davies, G.J.
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
2WHM
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CELLVIBRIO JAPONICUS MAN26A E121A AND E320G DOUBLE MUTANT IN COMPLEX WITH MANNOBIOSE
Descriptor:ENDO-1,4-BETA MANNANASE, MAN26A, ZINC ION, ...
Authors:Durcos, V.M.A., Davies, G.J., Flint, J.E., Gilbert, H.J.
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2015-03-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
2WVX
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STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT3990 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482
Descriptor:PUTATIVE ALPHA-1,2-MANNOSIDASE, CALCIUM ION, GLYCEROL
Authors:Suits, M.D.L., Zhu, Y., Thompson, A., Gilbert, H.J., Davies, G.J.
Deposit date:2009-10-21
Release date:2009-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WVY
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STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT2199 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482
Descriptor:ALPHA-1,2-MANNOSIDASE
Authors:Suits, M.D.L., Zhu, Y., Thompson, A., Gilbert, H.J., Davies, G.J.
Deposit date:2009-10-21
Release date:2009-11-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WVZ
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STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT3990 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482
Descriptor:PUTATIVE ALPHA-1,2-MANNOSIDASE, CALCIUM ION, KIFUNENSINE, ...
Authors:Suits, M.D.L., Zhu, Y., Thompson, A., Gilbert, H.J., Davies, G.J.
Deposit date:2009-10-21
Release date:2009-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WW0
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STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT3990 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482
Descriptor:PUTATIVE ALPHA-1,2-MANNOSIDASE, CALCIUM ION, 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, ...
Authors:Suits, M.D.L., Thompson, A., Zhu, Y., Gilbert, H.J., Davies, G.J.
Deposit date:2009-10-21
Release date:2009-12-29
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WW1
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STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT3990 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 IN COMPLEX WITH THIOMANNOBIOSIDE
Descriptor:PUTATIVE ALPHA-1,2-MANNOSIDASE, METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE
Authors:Suits, M.D.L., Zhu, Y., Thompson, A., Gilbert, H.J., Davies, G.J.
Deposit date:2009-10-21
Release date:2009-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WW2
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STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT2199 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482
Descriptor:ALPHA-1,2-MANNOSIDASE, (4S)-2-METHYL-2,4-PENTANEDIOL, SODIUM ION, ...
Authors:Suits, M.D.L., Zhu, Y., Thompson, A., Gilbert, H.J., Davies, G.J.
Deposit date:2009-10-21
Release date:2009-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
2WW3
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STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT3990 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 IN COMPLEX WITH THIOMANNOBIOSIDE
Descriptor:PUTATIVE ALPHA-1,2-MANNOSIDASE, CALCIUM ION, METHYL-2-S-(ALPHA-D-MANNOPYRANOSYL)-2-THIO-ALPHA-D-MANNOPYRANOSIDE, ...
Authors:Suits, M.D.L., Zhu, Y., Thompson, A.J., Gilbert, H.J., Davies, G.J.
Deposit date:2009-10-21
Release date:2010-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanistic Insights Into a Ca(2+)-Dependent Family of Alpha-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
3B9S
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MACROPHAGE MIGRATION INHIBITORY FACTOR (MIF) COMPLEXED WITH INHIBITOR, 4-IPP.
Descriptor:Macrophage Migration Inhibitory Factor, GLYCEROL, 4-phenylpyrimidine, ...
Authors:Zierow, S., Crichlow, G., Lolis, E.
Deposit date:2007-11-06
Release date:2008-09-23
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A novel, macrophage migration inhibitory factor suicide substrate inhibits motility and growth of lung cancer cells.
Cancer Res., 68, 2008
3D0S
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CAMP RECEPTOR PROTEIN FROM M.TUBERCULOSIS, CAMP-FREE FORM
Descriptor:TRANSCRIPTIONAL REGULATORY PROTEIN, CHLORIDE ION
Authors:Gallagher, D.T., Robinson, H., Reddy, P.T.
Deposit date:2008-05-02
Release date:2009-02-03
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of cAMP receptor protein from M. tuberculosis in the unliganded form
To be Published
4C7T
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FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH A DIARYLAMINO- 1,3,5-TRIAZINE INHIBITOR
Descriptor:FOCAL ADHESION KINASE 1, N-methyl-2-[[4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzamide, SULFATE ION
Authors:Le Coq, J., Lietha, D.
Deposit date:2013-09-25
Release date:2014-04-02
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibition of Both Focal Adhesion Kinase and Fibroblast Growth Factor Receptor 2 Pathways Induces Anti-Tumor and Anti-Angiogenic Activities.
Cancer Lett., 348, 2014
4X2Q
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CRYSTAL STRUCTURE OF HUMAN ALDEHYDE DEHYDROGENASE, ALDH1A2
Descriptor:Retinal dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Stenkamp, R.E., Le Trong, I., Amory, J.K., Paik, J., Goldstein, A.S.
Deposit date:2014-11-26
Release date:2015-12-02
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Synthesis and In Vitro Testing of Bisdichloroacetyldiamine Analogs for Use as a Reversible Male Contraceptive
To Be Published