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1QGF
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BU of 1qgf by Molmil
PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3R, 4S)N-PARA-TOLUENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE
Descriptor: (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID, CALCIUM ION, ELASTASE, ...
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:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanistic insights into the inhibition of serine proteases by monocyclic lactams.
Biochemistry, 38, 1999
4XYX
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BU of 4xyx by Molmil
NanB plus Optactamide
Descriptor: Optactamide, PHOSPHATE ION, Sialidase B
Authors:Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J.
Deposit date:2015-02-03
Release date:2016-02-10
Last modified:2024-01-10
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
2WKA
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BU of 2wka by Molmil
Structure of Plp_Thr_decanoyl-CoA aldimine form of Vibrio cholerae CqsA
Descriptor: CAI-1 AUTOINDUCER SYNTHASE, CHLORIDE ION, 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
2WK7
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BU of 2wk7 by Molmil
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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BU of 2wk8 by Molmil
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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BU of 2wk9 by Molmil
Structure of Plp_Thr aldimine form of Vibrio cholerae CqsA
Descriptor: CAI-1 AUTOINDUCER SYNTHASE, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], PYRIDOXAL-5'-PHOSPHATE, ...
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
2X1N
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BU of 2x1n by Molmil
Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure Guided Design
Descriptor: 2-METHYL-N-[(1Z)-3-NITROCYCLOHEXA-2,4-DIEN-1-YLIDENE]-4,5-DIHYDRO[1,3]THIAZOLO[4,5-H]QUINAZOLIN-8-AMINE, ACE-LEU-ASN-PFF-NH2, CELL DIVISION PROTEIN KINASE 2, ...
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:2023-12-20
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
3ZLL
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BU of 3zll by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-azanyl-6-oxidanyl-1-(phenylmethyl)pyrimidine-2,4-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:2013-02-01
Release date:2013-02-20
Last modified:2023-12-20
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
3ZLK
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BU of 3zlk by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE
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:2023-12-20
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
4B2W
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BU of 4b2w by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
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:2023-12-20
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
4B5B
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BU of 4b5b by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide
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:2023-12-20
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
4ARW
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BU of 4arw by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
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:2023-12-20
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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BU of 4asj by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide, ...
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:2023-12-20
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
4B4B
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BU of 4b4b by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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:2023-12-20
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
4ASY
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BU of 4asy by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
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:2023-12-20
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
4B2X
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BU of 4b2x by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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:2023-12-20
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
4B4G
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BU of 4b4g by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
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:2023-12-20
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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BU of 4b4m by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
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:2023-12-20
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
4B3U
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BU of 4b3u by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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:2023-12-20
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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BU of 4b42 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
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:2023-12-20
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
5FUH
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BU of 5fuh by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-01-27
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FU0
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BU of 5fu0 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-01-19
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FTS
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BU of 5fts by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-01-14
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published
5FU8
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BU of 5fu8 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-01-21
Release date:2017-02-22
Last modified:2024-01-10
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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BU of 5ftv by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Tran, F, Westwood, N.J, Naismith, J.H.
Deposit date:2016-01-18
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Allosteric Competitive Inhibitors of the Glucose-1-Phosphate Thymidylyltransferase (Rmla) from Pseudomonas Aeruginosa.
To be Published

 

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