Author results

1QGF
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE
Descriptor:ELASTASE, CALCIUM ION, SULFATE ION, ...
Authors:Wilmouth, R.C., Kassamally, S., Westwood, N.J., Sheppard, R.J., Claridge, T.D.W., Wright, P.A., Pritchard, G.J., Schofield, C.J.
Deposit date:1999-04-27
Release date:1999-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanistic insights into the inhibition of serine proteases by monocyclic lactams.
Biochemistry, 38, 1999
2WK7
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STRUCTURE OF APO FORM OF VIBRIO CHOLERAE CQSA
Descriptor:CAI-1 AUTOINDUCER SYNTHASE, SULFATE ION
Authors:Jahan, N., Potter, J.A., Sheikh, M.A., Botting, C.H., Shirran, S.L., Westwood, N.J., Taylor, G.L.
Deposit date:2009-06-08
Release date:2009-07-21
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
2WK8
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STRUCTURE OF HOLO FORM OF VIBRIO CHOLERAE CQSA
Descriptor:CAI-1 AUTOINDUCER SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Jahan, N., Potter, J.A., Sheikh, M.A., Botting, C.H., Shirran, S.L., Westwood, N.J., Taylor, G.L.
Deposit date:2009-06-08
Release date:2009-07-21
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
2WK9
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STRUCTURE OF PLP_THR ALDIMINE FORM OF VIBRIO CHOLERAE CQSA
Descriptor:CAI-1 AUTOINDUCER SYNTHASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION, ...
Authors:Jahan, N., Potter, J.A., Sheikh, M.A., Botting, C.H., Shirran, S.L., Westwood, N.J., Taylor, G.L.
Deposit date:2009-06-08
Release date:2009-07-21
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
2WKA
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STRUCTURE OF PLP_THR_DECANOYL-COA ALDIMINE FORM OF VIBRIO CHOLERAE CQSA
Descriptor:CAI-1 AUTOINDUCER SYNTHASE, [6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate, SULFATE ION, ...
Authors:Jahan, N., Potter, J.A., Sheikh, M.A., Botting, C.H., Shirran, S.L., Westwood, N.J., Taylor, G.L.
Deposit date:2009-06-08
Release date:2009-07-21
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Insights Into the Biosynthesis of the Vibrio Cholerae Major Autoinducer Cai-1 from the Crystal Structure of the Plp-Dependent Enzyme Cqsa.
J.Mol.Biol., 392, 2009
2X1N
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TRUNCATION AND OPTIMISATION OF PEPTIDE INHIBITORS OF CDK2, CYCLIN A THROUGH STRUCTURE GUIDED DESIGN
Descriptor:CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ACE-LEU-ASN-PFF-NH2, ...
Authors:Kontopidis, G., Andrews, M.J., McInnes, C., Plater, A., Innes, L., Renachowski, S., Cowan, A., Fischer, P.M., McIntyre, N.A., Griffiths, G., Barnett, A.L., Slawin, A.M.Z., Jackson, W., Thomas, M., Zheleva, D.I., Wang, S., Blake, D.G., Westwood, N.J.
Deposit date:2009-12-31
Release date:2010-02-16
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors.
J.Med.Chem., 53, 2010
3ZLK
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE, CHLORIDE ION
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Sarkar, A., Brenk, R., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2013-02-01
Release date:2013-02-20
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
3ZLL
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, 5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Sarkar, A., Brenk, R., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2013-02-01
Release date:2013-02-20
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4ARW
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-AMINO-1-BUTYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYL-BENZENESULFONAMIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-04-26
Release date:2012-10-31
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4ASJ
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide, CHLORIDE ION, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-05-01
Release date:2012-10-31
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4ASY
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzamide, CHLORIDE ION, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Sarkar, A., Brenk, R., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-05-03
Release date:2012-10-31
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B2W
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide, CHLORIDE ION, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L., Gardiner, M., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-07-18
Release date:2013-05-29
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B2X
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Sarkar, A., Brenk, R., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-07-18
Release date:2012-10-31
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B3U
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, 6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Sarkar, A., Brenk, R., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-07-26
Release date:2012-10-31
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B42
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-benzamide, CHLORIDE ION, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Sarkar, A., Brenk, R., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-07-27
Release date:2012-10-31
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.505 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B4B
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, 1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, CHLORIDE ION, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Sarkar, A., Brenk, R., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-07-30
Release date:2012-10-31
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B4G
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbutane-1-sulfonamide, CHLORIDE ION, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-07-30
Release date:2012-10-31
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B4M
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-N-methylbenzenesulfonamide, CHLORIDE ION, ...
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-07-31
Release date:2012-10-31
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B5B
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide, CHLORIDE ION
Authors:Alphey, M.S., Pirrie, L., Torrie, L.S., Gardiner, M., Westwood, N.J., Gray, D., Naismith, J.H.
Deposit date:2012-08-03
Release date:2012-10-31
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (2.055 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4XYX
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NANB PLUS OPTACTAMIDE
Descriptor:Sialidase B, Optactamide, PHOSPHATE ION
Authors:Rogers, G.W., Brear, P., Yang, L., Taylor, G.L., Westwood, N.J.
Deposit date:2015-02-03
Release date:2016-02-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To Be Published
5FTS
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-Amino-1-(2-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Alphey, M.S., Tran, F., Westwood, N.J., Naismith, J.H.
Deposit date:2016-01-14
Release date:2017-02-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FTV
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-AMINO-1-(4-BROMOBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Alphey, M.S., Tran, F., Westwood, N.J., Naismith, J.H.
Deposit date:2016-01-18
Release date:2017-02-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FU0
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-AMINO-1-(3-METHYLBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Alphey, M.S., Tran, F., Westwood, N.J., Naismith, J.H.
Deposit date:2016-01-19
Release date:2017-02-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FU8
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-(4-bromo-3-methylbenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Alphey, M.S., Tran, F., Westwood, N.J., Naismith, J.H.
Deposit date:2016-01-21
Release date:2017-02-22
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FUH
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PSEUDOMONAS AERUGINOSA RMLA IN COMPLEX WITH ALLOSTERIC INHIBITOR
Descriptor:GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-[6-amino-1-(3-bromobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-N-methylbenzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Alphey, M.S., Tran, F., Westwood, N.J., Naismith, J.H.
Deposit date:2016-01-27
Release date:2017-02-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published