7MX6
| 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
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7MYD
| 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
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1TYT
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5OQ1
| Crystal structure of Serratia marcescens ChiX (used as MR model for superior PDB 5OPZ) | Descriptor: | CHLORIDE ION, ChiX, ZINC ION | Authors: | Owen, R.A, Fyfe, P.K, Lodge, A, Biboy, J, Vollmer, W, Hunter, W.N, Sargent, F. | Deposit date: | 2017-08-10 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structure and activity of ChiX: a peptidoglycan hydrolase required for chitinase secretion by Serratia marcescens. Biochem. J., 475, 2018
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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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5OBH
| Crystal structure of glycine binding protein in complex with bicuculline | Descriptor: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dawson, A, Hunter, W.N, Jones, M. | Deposit date: | 2017-06-27 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Structural Rationale for N-Methylbicuculline Acting as a Promiscuous Competitive Antagonist of Inhibitory Pentameric Ligand-Gated Ion Channels. Chembiochem, 21, 2020
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5OPZ
| Crystal structure of Serratia marcescens L-Ala D-Glu endopeptidase ChiX | Descriptor: | CHLORIDE ION, ChiX, ZINC ION | Authors: | Owen, R.A, Fyfe, P.K, Lodge, A, Biboy, J, Vollmer, W, Hunter, W.N, Sargent, F. | Deposit date: | 2017-08-10 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structure and activity of ChiX: a peptidoglycan hydrolase required for chitinase secretion by Serratia marcescens. Biochem. J., 475, 2018
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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
| 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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1TYP
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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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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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5G1Q
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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
| 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
| 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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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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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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6ECR
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6ECP
| The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY249543 | Descriptor: | Methylenetetrahydrofolate dehydrogenase cyclohydrolase, N-(4-{2-[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}benzoyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bueno, R.V, Dawson, A, Hunter, W.N. | Deposit date: | 2018-08-08 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement. Acta Crystallogr F Struct Biol Commun, 75, 2019
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6ECQ
| The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP and inhibitor LY345899 | Descriptor: | METHYLENETETRAHYDROFOLATE DEHYDROGENASE CYCLOHYDROLASE, N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Bueno, R.V, Dawson, A, Hunter, W.N. | Deposit date: | 2018-08-08 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An assessment of three human methylenetetrahydrofolate dehydrogenase/cyclohydrolase-ligand complexes following further refinement. Acta Crystallogr F Struct Biol Commun, 75, 2019
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6EBS
| Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate | Descriptor: | Dihydroorotate dehydrogenase (fumarate), FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Reis, R.A.G, Pinheiro, M.P, de Souza, A.L, Hunter, W.N, Nonato, M.C. | Deposit date: | 2018-08-07 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of Leishmania major dihydroorotate dehydrogenase mutant H174A in complex with orotate To Be Published
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1O7U
| Radiation induced tryparedoxin-I | Descriptor: | TRYPAREDOXIN | Authors: | Alphey, M.S, Bond, C.S, McSweeney, S.M, Hunter, W.N. | Deposit date: | 2002-11-14 | Release date: | 2003-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Tryparedoxins from Crithidia Fasciculata and Trypanosoma Brucei: Photoreduction of the Redox Disulfide Using Synchrotron Radiation and Evidence for a Conformational Switch Implicated in Function J.Biol.Chem., 278, 2003
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1O85
| Radiation-reduced Tryparedoxin-I | Descriptor: | TRYPAREDOXIN | Authors: | Alphey, M.S, Bond, C.S, Hunter, W.N. | Deposit date: | 2002-11-25 | Release date: | 2003-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Tryparedoxins from Crithidia Fasciculata and Trypanosoma Brucei: Photoreduction of the Redox Disulfide Using Synchrotron Radiation and Evidence for a Conformational Switch Implicated in Function J.Biol.Chem., 278, 2003
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1O8X
| Mutant tryparedoxin-I Cys43Ala | Descriptor: | TRYPAREDOXIN | Authors: | Alphey, M.S, Bond, C.S, Hunter, W.N. | Deposit date: | 2002-12-09 | Release date: | 2003-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Tryparedoxins from Crithidia Fasciculata and Trypanosoma Brucei: Photoreduction of the Redox Disulfide Using Synchrotron Radiation and Evidence for a Conformational Switch Implicated in Function J.Biol.Chem., 278, 2003
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