1W55
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![BU of 1w55 by Molmil](/molmil-images/mine/1w55) | Structure of the Bifunctional IspDF from Campylobacter jejuni | Descriptor: | 1,2-ETHANEDIOL, CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ... | Authors: | Gabrielsen, M, Bond, C.S, Hunter, W.N. | Deposit date: | 2004-08-05 | Release date: | 2004-10-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-Xylulose-Dependent Pathway of Isoprenoid Precursor Biosynthesis J.Biol.Chem., 279, 2004
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1W73
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![BU of 1w73 by Molmil](/molmil-images/mine/1w73) | Binary structure of human DECR solved by SeMet SAD. | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Alphey, M.S, Byres, E, Hunter, W.N. | Deposit date: | 2004-08-27 | Release date: | 2004-10-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site J.Biol.Chem., 280, 2005
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1W57
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![BU of 1w57 by Molmil](/molmil-images/mine/1w57) | Structure of the Bifunctional IspDF from Campylobacter jejuni containing Zn | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, GERANYL DIPHOSPHATE, ISPD/ISPF BIFUNCTIONAL ENZYME, ... | Authors: | Gabrielsen, M, Bond, C.S, Hunter, W.N. | Deposit date: | 2004-08-06 | Release date: | 2004-10-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Hexameric Assembly of the Bifunctional Methylerythritol 2,4-Cyclodiphosphate Synthase and Protein-Protein Associations in the Deoxy-Xylulose-Dependent Pathway of Isoprenoid Precursor Biosynthesis J.Biol.Chem., 279, 2004
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1W77
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![BU of 1w77 by Molmil](/molmil-images/mine/1w77) | 2C-methyl-D-erythritol 4-phosphate cytidylyltransferase (IspD) from Arabidopsis thaliana | Descriptor: | 2C-METHYL-D-ERYTHRITOL 4-PHOSPHATE CYTIDYLYLTRANSFERASE, CADMIUM ION, COPPER (II) ION, ... | Authors: | Gabrielsen, M, Kaiser, J, Rohdich, F, Eisenreich, W, Bacher, A, Bond, C.S, Hunter, W.N. | Deposit date: | 2004-08-30 | Release date: | 2006-02-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of a Plant 2C-Methyl-D-Erythritol 4-Phosphate Cytidylyltransferase Exhibits a Distinct Quaternary Structure Compared to Bacterial Homologues and a Possible Role in Feedback Regulation for Cytidine Monophosphate. FEBS J., 273, 2006
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1W6U
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![BU of 1w6u by Molmil](/molmil-images/mine/1w6u) | Structure of human DECR ternary complex | Descriptor: | 2,4-DIENOYL-COA REDUCTASE, MITOCHONDRIAL PRECURSOR, HEXANOYL-COENZYME A, ... | Authors: | Alphey, M.S, Byres, E, Li, D, Hunter, W.N. | Deposit date: | 2004-08-24 | Release date: | 2004-10-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Reactivity of Human Mitochondrial 2,4-Dienoyl-Coa Reductase: Enzyme-Ligand Interactions in a Distinctive Short-Chain Reductase Active Site J.Biol.Chem., 280, 2005
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1TYP
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5AQ1
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![BU of 5aq1 by Molmil](/molmil-images/mine/5aq1) | Trypanosoma cruzi Glucose-6-phosphate Dehydrogenase in complex with G6P and NADPH | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, GLUCOSE-6-PHOSPHATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Mercaldi, G.F, Dawson, A, Hunter, W.N, Cordeiro, A.T. | Deposit date: | 2015-09-18 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Structure of a Trypanosoma Cruzi Glucose-6-Phosphate Dehydrogenase Reveals Differences from the Mammalian Enzyme. FEBS Lett., 590, 2016
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6QKK
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![BU of 6qkk by Molmil](/molmil-images/mine/6qkk) | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (1) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide, ... | Authors: | Davis, S, Bueno, R.V, Dawson, A, Hunter, W.N. | Deposit date: | 2019-01-29 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallogr.,Sect.D, 78, 2022
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6QQP
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![BU of 6qqp by Molmil](/molmil-images/mine/6qqp) | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2) | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N. | Deposit date: | 2019-02-18 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallogr.,Sect.D, 78, 2022
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6QQO
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![BU of 6qqo by Molmil](/molmil-images/mine/6qqo) | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide, ... | Authors: | Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N. | Deposit date: | 2019-02-18 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallogr.,Sect.D, 78, 2022
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1ZEN
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![BU of 1zen by Molmil](/molmil-images/mine/1zen) | 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
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2QHX
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![BU of 2qhx by Molmil](/molmil-images/mine/2qhx) | Structure of Pteridine Reductase from Leishmania major complexed with a ligand | Descriptor: | IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N. | Deposit date: | 2007-07-03 | Release date: | 2007-12-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development. Proc.Natl.Acad.Sci.USA, 105, 2008
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5G1S
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![BU of 5g1s by Molmil](/molmil-images/mine/5g1s) | Open conformation of Francisella tularensis ClpP at 1.7 A | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Diaz-Saez, L, Pankov, G, Hunter, W.N. | Deposit date: | 2016-03-30 | Release date: | 2016-10-19 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Open and compressed conformations of Francisella tularensis ClpP. Proteins, 85, 2017
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5G1R
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![BU of 5g1r by Molmil](/molmil-images/mine/5g1r) | Open conformation of Francisella tularensis ClpP at 1.9 A | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Diaz-Saez, L, Hunter, W.N. | Deposit date: | 2016-03-29 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Open and compressed conformations of Francisella tularensis ClpP. Proteins, 85, 2017
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5FV0
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![BU of 5fv0 by Molmil](/molmil-images/mine/5fv0) | The cytoplasmic domain of EssC | Descriptor: | 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), ADENOSINE-5'-TRIPHOSPHATE, ESX secretion system protein EccC, ... | Authors: | Zoltner, M, Ng, W.M.A.V, Palmer, T, Hunter, W.N. | Deposit date: | 2016-02-01 | Release date: | 2016-03-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | EssC: domain structures inform on the elusive translocation channel in the Type VII secretion system. Biochem. J., 473, 2016
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5FWH
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![BU of 5fwh by Molmil](/molmil-images/mine/5fwh) | N-terminal FHA domain from EssC a component of the bacterial Type VII secretion apparatus | Descriptor: | ESSC | Authors: | Zoltner, M, Ng, W.M.A.V, Money, J.J, Fyfe, P.K, Kneuper, H, Palmer, T, Hunter, W.N. | Deposit date: | 2016-02-17 | Release date: | 2016-04-06 | Last modified: | 2016-10-12 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Essc: Domain Structures Inform on the Elusive Translocation Channel in the Type Vii Secretion System. Biochem.J., 473, 2016
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5G1Q
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5NRH
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5NRI
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5O8T
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![BU of 5o8t by Molmil](/molmil-images/mine/5o8t) | Crystal structure of wild type Aplysia californica AChBP in complex with strychnine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, STRYCHNINE, ... | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | Deposit date: | 2017-06-14 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein. Iucrj, 6, 2019
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5OAD
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![BU of 5oad by Molmil](/molmil-images/mine/5oad) | Crystal structure of mutant AChBP in complex with HEPES (T53F, Q74R, Y110A, I135S, G162E) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | Deposit date: | 2017-06-21 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein. Iucrj, 6, 2019
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3GN2
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![BU of 3gn2 by Molmil](/molmil-images/mine/3gn2) | Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00066730) | Descriptor: | 1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Brenk, R, Hunter, W.N. | Deposit date: | 2009-03-16 | Release date: | 2009-12-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. J.Med.Chem., 52, 2009
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3H4V
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![BU of 3h4v by Molmil](/molmil-images/mine/3h4v) | Selective screening and design to identify inhibitors of leishmania major pteridine reductase 1 | Descriptor: | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1 | Authors: | Mcluskey, K, Gibellini, F, Hunter, W.N. | Deposit date: | 2009-04-21 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development Proc.Natl.Acad.Sci.USA, 105, 2008
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3GN1
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![BU of 3gn1 by Molmil](/molmil-images/mine/3gn1) | Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00067116) | Descriptor: | 1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Tulloch, L.B, Brenk, R, Hunter, W.N. | Deposit date: | 2009-03-16 | Release date: | 2009-12-29 | Last modified: | 2011-09-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. J.Med.Chem., 52, 2009
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5O87
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![BU of 5o87 by Molmil](/molmil-images/mine/5o87) | Crystal structure of wild type Aplysia californica AChBP in complex with nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | Deposit date: | 2017-06-12 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein. Iucrj, 6, 2019
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