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3ZXX
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BU of 3zxx by Molmil
Structure of self-cleaved protease domain of PatA
Descriptor: SUBTILISIN-LIKE PROTEIN
Authors:Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H.
Deposit date:2011-08-16
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
3ZXY
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BU of 3zxy by Molmil
Structure of S218A mutant of the protease domain of PatA
Descriptor: SUBTILISIN-LIKE PROTEIN
Authors:Koehnke, J, Zollman, D, Vendome, J, Raab, A, Houssen, W.E, Smith, M.C, Jaspars, M, Naismith, J.H.
Deposit date:2011-08-16
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The Discovery of New Cyanobactins from Cyanothece Pcc 7425 Defines a New Signature for Processing of Patellamides.
Chembiochem, 13, 2012
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
4AAY
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BU of 4aay by Molmil
Crystal Structure of the arsenite oxidase protein complex from Rhizobium species strain NT-26
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, AROA, AROB, ...
Authors:Oke, M, Santini, J.M, Naismith, J.H.
Deposit date:2011-12-05
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Respiratory Arsenite Oxidase: Structure and the Role of Residues Surrounding the Rieske Cluster.
Plos One, 8, 2013
4AGE
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BU of 4age by Molmil
MTSSL spin labeled D67C mutant of MscS in the open form
Descriptor: SMALL-CONDUCTANCE MECHANOSENSITIVE CHANNEL
Authors:Pliotas, C, Brannigan, E, Naismith, J.H.
Deposit date:2012-01-26
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.84 Å)
Cite:Conformational State of the Mscs Mechanosensitive Channel in Solution Revealed by Pulsed Electron-Electron Double Resonance (Peldor) Spectroscopy.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AIA
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BU of 4aia by Molmil
The structural basis of 3-methyladenine recognition by 3- methyladenine DNA glycosylase I (TAG) from Staphylococcus aureus
Descriptor: 3-METHYL-3H-PURIN-6-YLAMINE, DNA-3-METHYLADENINE GLYCOSYLASE I, SULFATE ION, ...
Authors:Yan, X, Naismith, J.H.
Deposit date:2012-02-08
Release date:2012-02-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Model for 3-Methyladenine Recognition by 3-Methyladenine DNA Glycosylase I (Tag) from Staphylococcus Aureus.
Acta Crystallogr.,Sect.F, 68, 2012
4AI5
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BU of 4ai5 by Molmil
Crystal structure of Y16F of 3-methyladenine DNA glycosylase I (TAG) in complex with 3-methyladenine
Descriptor: 3-METHYL-3H-PURIN-6-YLAMINE, DNA-3-METHYLADENINE GLYCOSYLASE I, SULFATE ION, ...
Authors:Zhu, X, Naismith, J.H.
Deposit date:2012-02-08
Release date:2012-02-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A Model for 3-Methyladenine Recognition by 3-Methyladenine DNA Glycosylase I (Tag) from Staphylococcus Aureus.
Acta Crystallogr.,Sect.F, 68, 2012
4AKS
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BU of 4aks by Molmil
PatG macrocyclase domain
Descriptor: THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE
Authors:Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H.
Deposit date:2012-02-28
Release date:2012-07-18
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
4AKT
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BU of 4akt by Molmil
PatG macrocyclase in complex with peptide
Descriptor: SUBSTRATE ANALOGUE, THIAZOLINE OXIDASE/SUBTILISIN-LIKE PROTEASE
Authors:Koehnke, J, Bent, A, Houssen, W.E, Zollman, D, Morawitz, F, Shirran, S, Vendome, J, Nneoyiegbe, A.F, Trembleau, L, Botting, C.H, Smith, M.C.M, Jaspars, M, Naismith, J.H.
Deposit date:2012-02-28
Release date:2012-07-18
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:The Mechanism of Patellamide Macrocyclization Revealed by the Characterization of the Patg Macrocyclase Domain.
Nat.Struct.Mol.Biol., 19, 2012
4AGF
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BU of 4agf by Molmil
MTSSL spin labeled L124C mutant of MscS in the open form
Descriptor: SMALL-CONDUCTANCE MECHANOSENSITIVE CHANNEL
Authors:Pliotas, C, Brannigan, E, Naismith, J.H.
Deposit date:2012-01-26
Release date:2012-08-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (4.7 Å)
Cite:Conformational State of the Mscs Mechanosensitive Channel in Solution Revealed by Pulsed Electron-Electron Double Resonance (Peldor) Spectroscopy.
Proc.Natl.Acad.Sci.USA, 109, 2012
4AP4
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BU of 4ap4 by Molmil
Rnf4 - ubch5a - ubiquitin heterotrimeric complex
Descriptor: E3 UBIQUITIN LIGASE RNF4, UBIQUITIN C, UBIQUITIN-CONJUGATING ENZYME E2 D1, ...
Authors:Plechanovova, A, Hay, R.T, Tatham, M.H, Jaffray, E, Naismith, J.H.
Deposit date:2012-03-30
Release date:2012-07-25
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure of a Ring E3 Ligase and Ubiquitin-Loaded E2 Primed for Catalysis
Nature, 489, 2012
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
4AVY
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BU of 4avy by Molmil
The AEROPATH project and Pseudomonas aeruginosa high-throughput crystallographic studies for assessment of potential targets in early stage drug discovery.
Descriptor: PROBABLE SHORT-CHAIN DEHYDROGENASE
Authors:Moynie, L, McMahon, S.A, Alphey, M.S, Liu, H, Duthie, F, Naismith, J.H.
Deposit date:2012-05-30
Release date:2012-12-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 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
4B0J
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BU of 4b0j by Molmil
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with 5-(2- thienyl)-3-isoxazolyl methanol
Descriptor: (5-thiophen-2-ylisoxazol-3-yl)methanol, 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE
Authors:Moynie, L, McMahon, S.A, Duthie, F.G, Naismith, J.H.
Deposit date:2012-07-02
Release date:2012-11-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonas Aeruginosa
J.Mol.Biol., 425, 2013
4B79
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BU of 4b79 by Molmil
THE AEROPATH PROJECT AND PSEUDOMONAS AERUGINOSA HIGH-THROUGHPUT CRYSTALLOGRAPHIC STUDIES FOR ASSESSMENT OF POTENTIAL TARGETS IN EARLY STAGE DRUG DISCOVERY.
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROBABLE SHORT-CHAIN DEHYDROGENASE
Authors:Moynie, L, McMahon, S.A, Alphey, M.S, Liu, H, Duthie, F, Naismith, J.H.
Deposit date:2012-08-16
Release date:2012-08-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013
4AX8
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BU of 4ax8 by Molmil
Medium resolution structure of the bifunctional kinase- methyltransferase WbdD
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, S-ADENOSYLMETHIONINE, ...
Authors:Hagelueken, G, Huang, H, Naismith, J.H.
Deposit date:2012-06-11
Release date:2012-10-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystallization, Dehydration and Experimental Phasing of Wbdd, a Bifunctional Kinase and Methyltransferase from Escherichia Coli O9A.
Acta Crystallogr.,Sect.D, 68, 2012
4AZV
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BU of 4azv by Molmil
Co-crystal structure of WbdD and kinase inhibitor GW435821x.
Descriptor: CHLORIDE ION, S-ADENOSYLMETHIONINE, SULFATE ION, ...
Authors:Hagelueken, G, Huang, H, Naismith, J.H.
Deposit date:2012-06-26
Release date:2012-09-26
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (3.291 Å)
Cite:Structure of Wbdd; a Bifunctional Kinase and Methyltransferase that Regulates the Chain Length of the O Antigen in Escherichia Coli O9A.
Mol.Microbiol., 86, 2012
4BG2
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BU of 4bg2 by Molmil
X-ray Crystal Structure of PatF from Prochloron didemni
Descriptor: PATF
Authors:Bent, A.F, Koehnke, J, Houssen, W.E, Smith, M.C.M, Jaspars, M, Naismith, J.H.
Deposit date:2013-03-22
Release date:2013-04-03
Last modified:2013-11-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure of Patf from Prochloron Didemni.
Acta Crystallogr.,Sect.F, 69, 2013
4B7X
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BU of 4b7x by Molmil
Crystal structure of hypothetical protein PA1648 from Pseudomonas aeruginosa.
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROBABLE OXIDOREDUCTASE
Authors:Alphey, M.S, McMahon, S.A, Duthie, F, Naismith, J.H.
Deposit date:2012-08-24
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery
Acta Crystallogr.,Sect.F, 69, 2013

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