Author results

2CJF
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TYPE II DEHYDROQUINASE INHIBITOR COMPLEX
Descriptor:3-DEHYDROQUINATE DEHYDRATASE, (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID, GLYCEROL, ...
Authors:Payne, R.J., Riboldi-Tunnicliffe, A., Abell, A.D., Lapthorn, A.J., Abell, C.
Deposit date:2006-03-31
Release date:2007-04-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design, Synthesis, and Structural Studies on Potent Biaryl Inhibitors of Type II Dehydroquinases.
Chemmedchem, 2, 2007
1PPY
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NATIVE PRECURSOR OF PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE
Descriptor:Aspartate 1-decarboxylase precursor, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-17
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PQE
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S25A MUTANT OF PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE
Descriptor:Aspartate 1-decarboxylase
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-18
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PQF
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GLYCINE 24 TO SERINE MUTATION OF ASPARTATE DECARBOXYLASE
Descriptor:Aspartate 1-decarboxylase, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-18
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PQH
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SERINE 25 TO THREONINE MUTATION OF ASPARTATE DECARBOXYLASE
Descriptor:Aspartate 1-decarboxylase, SODIUM ION, MALONIC ACID
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-18
Release date:2003-11-18
Last modified:2015-04-29
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PT0
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UNPROCESSED PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE WITH AN ALANINE INSERTION AT POSITION 26
Descriptor:Aspartate 1-decarboxylase, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-22
Release date:2003-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PT1
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UNPROCESSED PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE WITH HISTIDINE 11 MUTATED TO ALANINE
Descriptor:Aspartate 1-decarboxylase, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-06-22
Release date:2003-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PYQ
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UNPROCESSED ASPARTATE DECARBOXYLASE MUTANT, WITH ALANINE INSERTED AT POSITION 24
Descriptor:Aspartate 1-decarboxylase, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-07-09
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1PYU
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PROCESSED ASPARTATE DECARBOXYLASE MUTANT WITH SER25 MUTATED TO CYS
Descriptor:Aspartate 1-decarboxylase beta chain, Aspartate 1-decarboxylase alfa chain, SULFATE ION
Authors:Schmitzberger, F., Kilkenny, M.L., Lobley, C.M.C., Webb, M.E., Vinkovic, M., Matak-Vinkovic, D., Witty, M., Chirgadze, D.Y., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2003-07-09
Release date:2003-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Constraints on protein self-processing in L-aspartate-alpha-decarboxylase
Embo J., 22, 2003
1M3U
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CRYSTAL STRUCTURE OF KETOPANTOATE HYDROXYMETHYLTRANSFERASE COMPLEXED THE PRODUCT KETOPANTOATE
Descriptor:3-methyl-2-oxobutanoate hydroxymethyltransferase, MAGNESIUM ION, KETOPANTOATE
Authors:von Delft, F., Inoue, T., Saldanha, S.A., Ottenhof, H.H., Dhanaraj, V., Witty, M., Abell, C., Smith, A.G., Blundell, T.L.
Deposit date:2002-06-30
Release date:2003-07-22
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of E. coli Ketopantoate Hydroxymethyl Transferase Complexed with Ketopantoate and Mg(2+), Solved by Locating 160 Selenomethionine Sites.
Structure, 11, 2003
2BT4
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TYPE II DEHYDROQUINASE INHIBITOR COMPLEX
Descriptor:3-DEHYDROQUINATE DEHYDRATASE, (1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID, PHOSPHATE ION, ...
Authors:Toscano, M.D., Stewart, K.A., Coggins, J.R., Lapthorn, A.J., Abell, C.
Deposit date:2005-05-26
Release date:2006-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rational Design of New Bifunctional Inhibitors of Type II Dehydroquinase.
Org.Biomol.Chem., 3, 2005
5EDT
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS CYP121 IN COMPLEX WITH LIG9
Descriptor:Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, 2-azanyl-5-chloranyl-benzamide, ...
Authors:Kavanagh, M.E., Coyne, A.G., McLean, K.J., James, G.G., Levy, C., Marino, L.B., Carvalho, L.P.D., Chan, D.S.H., Hudson, S.A., Surade, S., Munro, A.W., Abell, C.
Deposit date:2015-10-22
Release date:2016-04-06
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
1AW8
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PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE
Descriptor:L-ASPARTATE-ALPHA-DECARBOXYLASE
Authors:Albert, A., Dhanaraj, V., Genschel, U., Khan, G., Ramjee, M.K., Pulido, R., Sybanda, B.L., von Delf, F., Witty, M., Blundell, T.L., Smith, A.G., Abell, C.
Deposit date:1997-10-12
Release date:1998-04-29
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of aspartate decarboxylase at 2.2 A resolution provides evidence for an ester in protein self-processing.
Nat.Struct.Biol., 5, 1998
1H0R
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TYPE II DEHYDROQUINASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEXED WITH 2,3-ANHYDRO-QUINIC ACID
Descriptor:3-DEHYDROQUINATE DEHYDRATASE, 2,3 -ANHYDRO-QUINIC ACID, PHOSPHATE ION, ...
Authors:Roszak, A.W., Robinson, D.A., Frederickson, M., Abell, C., Coggins, J.R., Lapthorn, A.J.
Deposit date:2002-06-27
Release date:2003-10-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Selectivity of Oxime Based Inhibitors Towards Type II Dehydroquinase from Mycobacterium Tuberculosis
To be Published
1H0S
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3-DEHYDROQUINATE DEHYDRATASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH 3-HYDROXYIMINO-QUINIC ACID
Descriptor:3-DEHYDROQUINATE DEHYDRATASE, 3-HYDROXYIMINO QUINIC ACID, SULFATE ION, ...
Authors:Roszak, A.W., Frederickson, M., Abell, C., Coggins, J.R., Lapthorn, A.J.
Deposit date:2002-06-27
Release date:2003-07-17
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis for Specificity of Oxime Based Inhibitors Towards Type II Dehydroquinase from Mycobacterium Tuberculosis
To be Published
1IHO
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CRYSTAL APO-STRUCTURE OF PANTOTHENATE SYNTHETASE FROM E. COLI
Descriptor:PANTOATE--BETA-ALANINE LIGASE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 1,2-ETHANEDIOL
Authors:von Delft, F., Lewendon, A., Dhanaraj, V., Blundell, T.L., Abell, C., Smith, A.
Deposit date:2001-04-19
Release date:2001-05-30
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The crystal structure of E. coli pantothenate synthetase confirms it as a member of the cytidylyltransferase superfamily.
Structure, 9, 2001
1KS9
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KETOPANTOATE REDUCTASE FROM ESCHERICHIA COLI
Descriptor:2-DEHYDROPANTOATE 2-REDUCTASE
Authors:Matak-Vinkovic, D., Vinkovic, M., Saldanha, S.A., Ashurst, J.A., von Delft, F., Inoue, T., Miguel, R.N., Smith, A.G., Blundell, T.L., Abell, C.
Deposit date:2002-01-11
Release date:2002-01-25
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Escherichia coli ketopantoate reductase at 1.7 A resolution and insight into the enzyme mechanism.
Biochemistry, 40, 2001
1YJQ
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CRYSTAL STRUCTURE OF KETOPANTOATE REDUCTASE IN COMPLEX WITH NADP+
Descriptor:2-dehydropantoate 2-reductase, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Lobley, C.M.C., Ciulli, A., Whitney, H.M., Williams, G., Smith, A.G., Abell, C., Blundell, T.L.
Deposit date:2005-01-15
Release date:2005-06-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The crystal structure of Escherichia coli ketopantoate reductase with NADP+ bound.
Biochemistry, 44, 2005
1YON
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ESCHERICHIA COLI KETOPANTOATE REDUCTASE IN COMPLEX WITH 2-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE
Descriptor:2-dehydropantoate 2-reductase, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
Authors:Ciulli, A., Lobley, C.M.C., Tuck, K.L., Williams, G., Smith, A.G., Blundell, T.L., Abell, C.
Deposit date:2005-01-28
Release date:2006-04-18
Last modified:2014-11-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.
Acta Crystallogr.,Sect.D, 63, 2007
2C8W
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THROMBIN INHIBITORS
Descriptor:THROMBIN LIGHT CHAIN, THROMBIN HEAVY CHAIN, HIRUDIN VARIANT-2, ...
Authors:Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.
Deposit date:2005-12-08
Release date:2006-07-04
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
2C8X
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THROMBIN INHIBITORS
Descriptor:THROMBIN LIGHT CHAIN, THROMBIN HEAVY CHAIN, HIRUDIN VARIANT-2, ...
Authors:Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.
Deposit date:2005-12-08
Release date:2006-07-04
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
2C8Y
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THROMBIN INHIBITORS
Descriptor:THROMBIN LIGHT CHAIN, THROMBIN HEAVY CHAIN, HIRUDIN VARIANT-2, ...
Authors:Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.
Deposit date:2005-12-08
Release date:2006-07-04
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
2C8Z
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THROMBIN INHIBITORS
Descriptor:THROMBIN, LIGHT CHAIN, THROMBIN HEAVY CHAIN, ...
Authors:Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.
Deposit date:2005-12-08
Release date:2006-07-04
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
2C90
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THROMBIN INHIBITORS
Descriptor:THROMBIN LIGHT CHAIN, THROMBIN HEAVY CHAIN, HIRUDIN VARIANT-2, ...
Authors:Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.
Deposit date:2005-12-08
Release date:2006-07-04
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
2C93
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THROMBIN INHIBITORS
Descriptor:THROMBIN, LIGHT CHAIN, THROMBIN HEAVY CHAIN, ...
Authors:Howard, N., Abell, C., Blakemore, W., Carr, R., Chessari, G., Congreve, M., Howard, S., Jhoti, H., Murray, C.W., Seavers, L.C.A., van Montfort, R.L.M.
Deposit date:2005-12-09
Release date:2006-07-04
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006