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4CM5
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BU of 4cm5 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4A1R
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BU of 4a1r by Molmil
The Structure of Serratia marcescens Lip, a membrane bound component of the Type VI Secretion System.
Descriptor: 1,2-ETHANEDIOL, LIP, SODIUM ION
Authors:Rao, V.A, Shepherd, S.M, English, G, Coulthurst, S.J, Hunter, W.N.
Deposit date:2011-09-19
Release date:2011-10-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The Structure of Serratia Marcescens Lip, a Membrane-Bound Component of the Type Vi Secretion System
Acta Crystallogr.,Sect.F, 67, 2011
4ANN
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BU of 4ann by Molmil
Crystal Structure Staphylococcus aureus ESSB cytoplasmic fragment
Descriptor: ESSB
Authors:Zoltner, M, Fyfe, P.K, Palmer, T, Hunter, W.N.
Deposit date:2012-03-21
Release date:2012-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Characterization of Staphylococcus Aureus Essb, an Integral Membrane Component of the Type Vii Secretion System: Atomic Resolution Crystal Structure of the Cytoplasmic Segment.
Biochem.J., 449, 2013
4ANO
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BU of 4ano by Molmil
Crystal Structure Geobacillus thermodenitrificans EssB cytoplasmic fragment
Descriptor: CHLORIDE ION, ESSB, SODIUM ION
Authors:Zoltner, M, Fyfe, P, Hunter, W.N.
Deposit date:2012-03-21
Release date:2012-12-05
Last modified:2013-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Architecture of Essb, an Integral Membrane Component of the Type Vii Secretion System.
Structure, 21, 2013
4CLE
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BU of 4cle by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, DITHIANE DIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-14
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CZ1
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BU of 4cz1 by Molmil
Crystal structure of kynurenine formamidase from Bacillus anthracis complexed with 2-aminoacetophenone.
Descriptor: 2-aminoacetophenone, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ...
Authors:Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N.
Deposit date:2014-04-16
Release date:2014-04-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
4CO9
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BU of 4co9 by Molmil
Crystal structure of kynurenine formamidase from Bacillus anthracis
Descriptor: 1,4-DIETHYLENE DIOXIDE, KYNURENINE FORMAMIDASE, MAGNESIUM ION, ...
Authors:Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N.
Deposit date:2014-01-27
Release date:2014-04-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
4CM6
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BU of 4cm6 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: (E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4COG
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BU of 4cog by Molmil
Crystal structure of kynurenine formamidase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Diaz-Saez, L, Srikannathasan, V, Zoltner, M, Hunter, W.N.
Deposit date:2014-01-28
Release date:2014-04-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Bacterial Kynurenine Formamidase Reveals a Crowded Binuclear-Zinc Catalytic Site Primed to Generate a Potent Nucleophile.
Biochem.J., 462, 2014
4CMK
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BU of 4cmk by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CM4
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BU of 4cm4 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, GLYCEROL, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLX
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BU of 4clx by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-5-(p-tolyl)-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CL8
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BU of 4cl8 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-13
Release date:2015-01-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLO
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BU of 4clo by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CM1
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BU of 4cm1 by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CMA
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BU of 4cma by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CQI
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BU of 4cqi by Molmil
Crystal structure of recombinant tubulin-binding cofactor A (TBCA) from Leishmania major
Descriptor: GLYCEROL, SULFATE ION, TUBULIN-BINDING COFACTOR A
Authors:Barrack, K.L, Fyfe, P.K, Hunter, W.N.
Deposit date:2014-02-17
Release date:2014-11-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Structure of Tubulin-Binding Cofactor a from Leishmania Major Infers a Mode of Association During the Early Stages of Microtubule Assembly
Acta Crystallogr.,Sect.F, 71, 2015
4B6Z
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BU of 4b6z by Molmil
Crystal structure of metallo-carboxypeptidase from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Rimsa, V, Eadsforth, T.C, Joosten, R.P, Hunter, W.N.
Deposit date:2012-08-16
Release date:2013-03-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-Resolution Structure of the M14-Type Cytosolic Carboxypeptidase from Burkholderia Cenocepacia Refined Exploiting Pdb_Redo Strategies.
Acta Crystallogr.,Sect.D, 70, 2014
4CMG
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BU of 4cmg by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CLR
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BU of 4clr by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: 2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-15
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4CMC
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BU of 4cmc by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
Descriptor: N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE 1
Authors:Barrack, K.L, Hunter, W.N.
Deposit date:2014-01-16
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
4B6W
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BU of 4b6w by Molmil
Architecture of Trypanosoma brucei Tubulin-Binding cofactor B
Descriptor: 1,2-ETHANEDIOL, TUBULIN-SPECIFIC CHAPERONE
Authors:Fleming, J.R, Morgan, R.E, Fyfe, P.K, Kelly, S.M, Hunter, W.N.
Deposit date:2012-08-15
Release date:2012-08-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Architecture of Trypanosoma Brucei Tubulin-Binding Cofactor B and Implications for Function.
FEBS J., 280, 2013
4B7V
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BU of 4b7v by Molmil
Structure of wild type Pseudomonas aeruginosa FabF (KASII)
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2, POTASSIUM ION
Authors:Lecker, L, Baum, B, Zoltner, M, Hunter, W.N.
Deposit date:2012-08-22
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structures of Pseudomonas Aeruginosa Beta-Keto-Acyl-(Acyl-Carrier-Protein) Synthase II (Fabf) and a C164Q Mutant Provide Templates for Antibacterial Drug Discovery and Identify a Buried Potassium Ion and a Ligand-Binding Site that is an Artefact of the Crystal Form
Acta Crystallogr.,Sect.F, 71, 2015
4B6M
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BU of 4b6m by Molmil
Trypansoma brucei tubulin binding cofactor B CAP-Gly domain
Descriptor: FORMIC ACID, TUBULIN-SPECIFIC CHAPERONE, PUTATIVE
Authors:Fleming, J.R, Morgan, R.E, Hunter, W.N.
Deposit date:2012-08-14
Release date:2012-10-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:The Architecture of Trypanosoma Brucei Tubulin-Binding Cofactor B and Implications for Function.
FEBS J., 280, 2013
110D
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BU of 110d by Molmil
ANTHRACYCLINE-DNA INTERACTIONS AT UNFAVOURABLE BASE BASE-PAIR TRIPLET-BINDING SITES: STRUCTURES OF D(CGGCCG)/DAUNOMYCIN AND D(TGGCCA)/ADRIAMYCIN COMPL
Descriptor: DAUNOMYCIN, DNA (5'-D(*CP*GP*GP*CP*CP*G)-3')
Authors:Leonard, G.A, Hambley, T.W, McAuley-Hecht, K, Brown, T, Hunter, W.N.
Deposit date:1993-01-21
Release date:1993-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Anthracycline-DNA interactions at unfavourable base-pair triplet-binding sites: structures of d(CGGCCG)/daunomycin and d(TGGCCA)/adriamycin complexes.
Acta Crystallogr.,Sect.D, 49, 1993

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