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PDB: 288 results
6SH0
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BU of 6sh0 by Molmil
Crystal structure of AcAChBP in complex with anatoxin
Descriptor: 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Hunter, W.N, Dawson, A, Parker, H.
Deposit date:2019-08-05
Release date:2020-08-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A
Acta Crystallogr.,Sect.F, 2022
6SGV
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BU of 6sgv by Molmil
Crystal structure of AcAChBP in complex with hosieine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hosieine, ...
Authors:Hunter, W.N, Dawson, A, Parker, H.
Deposit date:2019-08-05
Release date:2020-08-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Delineating the activity of the potent nicotinic acetylcholine receptor agonists (+)-anatoxin-a and (-)-hosieine-A
Acta Crystallogr.,Sect.F, 2022
3EOR
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BU of 3eor by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, SODIUM ION, ...
Authors:Hunter, W.N, Ramsden, N.L, Dawson, A.
Deposit date:2008-09-29
Release date:2009-08-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
3ELC
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BU of 3elc by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one, GERANYL DIPHOSPHATE, ...
Authors:Hunter, W.N, Ramsden, N.L, Ulaganathan, V.
Deposit date:2008-09-22
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
3ERN
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BU of 3ern by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with AraCMP
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTOSINE ARABINOSE-5'-PHOSPHATE, GERANYL DIPHOSPHATE, ...
Authors:Hunter, W.N, Ramsden, N.L, Kemp, L.A.
Deposit date:2008-10-02
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
3ESJ
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BU of 3esj by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, GERANYL DIPHOSPHATE, ...
Authors:Hunter, W.N, Ramsden, N.L.
Deposit date:2008-10-06
Release date:2009-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
3FBA
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BU of 3fba by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, GERANYL DIPHOSPHATE, GLYCEROL, ...
Authors:Hunter, W.N, Ramsden, N.L.
Deposit date:2008-11-19
Release date:2009-08-25
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy
J.Med.Chem., 52, 2009
113D
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BU of 113d by Molmil
THE STRUCTURE OF GUANOSINE-THYMIDINE MISMATCHES IN B-DNA AT 2.5 ANGSTROMS RESOLUTION
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Hunter, W.N, Brown, T, Kneale, G, Anand, N.N, Rabinovich, D, Kennard, O.
Deposit date:1993-01-04
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The structure of guanosine-thymidine mismatches in B-DNA at 2.5-A resolution.
J.Biol.Chem., 262, 1987
1D93
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BU of 1d93 by Molmil
STRUCTURAL VARIATION IN D(CTCTAGAG). IMPLICATIONS FOR PROTEIN-DNA INTERACTIONS
Descriptor: DNA (5'-D(*CP*TP*CP*TP*AP*GP*AP*G)-3')
Authors:Hunter, W.N, Langlois D'Estaintot, B, Kennard, O.
Deposit date:1992-10-17
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural variation in d(CTCTAGAG). Implications for protein-DNA interactions.
Biochemistry, 28, 1989
1D92
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BU of 1d92 by Molmil
REFINED CRYSTAL STRUCTURE OF AN OCTANUCLEOTIDE DUPLEX WITH G.T MISMATCHED BASE-PAIRS
Descriptor: DNA (5'-D(*GP*GP*GP*GP*CP*TP*CP*C)-3')
Authors:Hunter, W.N, Kneale, G, Brown, T, Rabinovich, D, Kennard, O.
Deposit date:1992-10-17
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Refined crystal structure of an octanucleotide duplex with G . T mismatched base-pairs.
J.Mol.Biol., 190, 1986
1D99
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BU of 1d99 by Molmil
STRUCTURAL FEATURES AND HYDRATION OF A DODECAMER DUPLEX CONTAINING TWO C.A MISPAIRS
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Hunter, W.N, Brown, T, Kennard, O.
Deposit date:1992-10-17
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural features and hydration of a dodecamer duplex containing two C.A mispairs.
Nucleic Acids Res., 15, 1987
1ZEN
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BU of 1zen by Molmil
CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE
Descriptor: CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE, ZINC ION
Authors:Cooper, S.J, Leonard, G.A, Hunter, W.N.
Deposit date:1996-07-08
Release date:1997-07-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of a class II fructose-1,6-bisphosphate aldolase shows a novel binuclear metal-binding active site embedded in a familiar fold.
Structure, 4, 1996
8CM0
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BU of 8cm0 by Molmil
Rhs2-CT endonuclease toxin in complex with cognate immunity protein RhsI2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Rhs2CT, ...
Authors:Pankov, G, Hunter, W.N, Coulthurst, S.J.
Deposit date:2023-02-17
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Rhs2-CT endonuclease toxin in complex with cognate immunity protein RhsI2
To Be Published
7YXV
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BU of 7yxv by Molmil
Crystal structure of a tautomerase superfamily member form Acinetobacter baumanii
Descriptor: Anthranilate synthase, CHLORIDE ION, NITRATE ION
Authors:Pankov, G, Hunter, W.N.
Deposit date:2022-02-16
Release date:2022-05-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of a tautomerase superfamily member linked to the type VI secretion system of Acinetobacter baumannii.
Acta Crystallogr.,Sect.F, 79, 2023
6HS3
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BU of 6hs3 by Molmil
Crystal structure of an ABC transporter related protein from Burkholderia pseudomallei
Descriptor: ABC transporter family protein, CHLORIDE ION
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2018-09-28
Release date:2018-11-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of lipopolysaccharide transport protein B (LptB) from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 75, 2019
3JQD
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BU of 3jqd by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (DX7)
Descriptor: 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQA
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BU of 3jqa by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-1,9-dihydro-6H-purine-6-thione (DX4)
Descriptor: 2-amino-1,9-dihydro-6H-purine-6-thione, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3JQB
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BU of 3jqb by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (DX6)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2009-09-06
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
5CNA
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BU of 5cna by Molmil
REFINED STRUCTURE OF CONCANAVALIN A COMPLEXED WITH ALPHA-METHYL-D-MANNOPYRANOSIDE AT 2.0 ANGSTROMS RESOLUTION AND COMPARISON WITH THE SACCHARIDE-FREE STRUCTURE
Descriptor: CALCIUM ION, CHLORIDE ION, CONCANAVALIN A, ...
Authors:Naismith, J.H, Emmerich, C, Habash, J, Harrop, S.J, Helliwell, J.R, Hunter, W.N, Raftery, J, Kalb(Gilboa), A.J, Yariv, J.
Deposit date:1994-02-11
Release date:1994-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined structure of concanavalin A complexed with methyl alpha-D-mannopyranoside at 2.0 A resolution and comparison with the saccharide-free structure.
Acta Crystallogr.,Sect.D, 50, 1994
7MX6
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BU of 7mx6 by Molmil
Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol
Descriptor: 4-(1H-pyrrol-1-yl)aniline, Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Hunter, W.N, Cardoso, I.A, Nonato, M.C.
Deposit date:2021-05-18
Release date:2022-05-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Leishmania major dihydroorotate dehydrogenase in complex with [4-(1H-pyrrol-1-yl)phenyl]methanol
To be Published
7MYD
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BU of 7myd by Molmil
Leishmania major dihydroorotate dehydrogenase in complex with 5-amino-2-(1H-pyrrol-1-yl)benzonitrile
Descriptor: 5-azanyl-2-pyrrol-1-yl-benzenecarbonitrile, Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Cardoso, I.A, Hunter, W.N, Nonato, M.C.
Deposit date:2021-05-20
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Leishmania major dihydroorotate dehydrogenase in complex with 5-amino-2-(1H-pyrrol-1-yl)benzonitrile
To Be Published
2X77
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BU of 2x77 by Molmil
Crystal Structure of Leishmania major ADP ribosylation factor-like 1.
Descriptor: ADP-RIBOSYLATION FACTOR, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Fleming, J.R, Dawson, A, Hunter, W.N.
Deposit date:2010-02-24
Release date:2010-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of Leishmania Major Adp Ribosylation Factor-Like 1 and a Classification of Related Gtpase Family Members in This Kinetoplastid.
Mol.Biochem.Parasitol., 174, 2010
2X9G
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BU of 2x9g by Molmil
High resolution structure of TbPTR1 in complex with Pemetrexed
Descriptor: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Dawson, A, Barrack, K.L, Tulloch, L.B, Hunter, W.N.
Deposit date:2010-03-18
Release date:2010-06-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
2X9N
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BU of 2x9n by Molmil
High resolution structure of TbPTR1 in complex with cyromazine
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETATE ION, DITHIANE DIOL, ...
Authors:Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N.
Deposit date:2010-03-23
Release date:2010-06-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010
2X9V
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BU of 2x9v by Molmil
High resolution structure of TbPTR1 with trimetrexate
Descriptor: ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE, ...
Authors:Dawson, A, Tulloch, L.B, Barrack, K.L, Hunter, W.N.
Deposit date:2010-03-24
Release date:2010-06-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:High-Resolution Structures of Trypanosoma Brucei Pteridine Reductase Ligand Complexes Inform on the Placement of New Molecular Entities in the Active Site of a Potential Drug Target
Acta Crystallogr.,Sect.D, 66, 2010

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