2H7X
 
 | | Pikromycin Thioesterase adduct with reduced triketide affinity label | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Giraldes, J.W, Akey, D.L, Kittendorf, J.D, Sherman, D.H, Smith, J.S, Fecik, R.A. | | Deposit date: | 2006-06-05 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Mechanistic Insights of Polyketide Macrolactonization from Polyketide-based Affinity Labels
NAT.CHEM.BIOL., 2, 2006
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2H8N
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2HFK
 | | Pikromycin thioesterase in complex with product 10-deoxymethynolide | | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Akey, D.L, Kittendorf, J.D, Giraldes, J.W, Fecik, R.A, Sherman, D.H, Smith, J.L. | | Deposit date: | 2006-06-24 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural Basis for Macrolactonization by the Pikromycin Thioesterase
NAT.CHEM.BIOL., 2, 2006
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2GNK
 | | GLNK, A SIGNAL PROTEIN FROM E. COLI | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, PROTEIN (NITROGEN REGULATORY PROTEIN) | | Authors: | Xu, Y, Cheah, E, Carr, P.D, van Heeswijk, W.C, Westerhoff, H.V, Vasudevan, S.G, Ollis, D.L. | | Deposit date: | 1998-07-14 | | Release date: | 1999-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | GlnK, a PII-homologue: structure reveals ATP binding site and indicates how the T-loops may be involved in molecular recognition.
J.Mol.Biol., 282, 1998
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2H7Y
 | | Pikromycin Thioesterase with covalent affinity label | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Giraldes, J.W, Akey, D.L, Kittendorf, J.D, Sherman, D.H, Smith, J.S, Fecik, R.A. | | Deposit date: | 2006-06-06 | | Release date: | 2006-09-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Mechanistic Insights of Polyketide Macrolactonization from Polyketide-based Affinity Labels
NAT.CHEM.BIOL., 2, 2006
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2HFJ
 | | Pikromycin thioesterase with covalent pentaketide affinity label | | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Akey, D.L, Kittendorf, J.D, Giraldes, J.W, Fecik, R.A, Sherman, D.H, Smith, J.L. | | Deposit date: | 2006-06-24 | | Release date: | 2006-09-19 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Basis for Macrolactonization by the Pikromycin Thioesterase
NAT.CHEM.BIOL., 2, 2006
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3HTD
 | | (Z)-Thiophene-2-carboxaldoxime in complex with T4 lysozyme L99A/M102Q | | Descriptor: | (NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine, BETA-MERCAPTOETHANOL, Lysozyme, ... | | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | | Deposit date: | 2009-06-11 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
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6ZLB
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with Indole-3-carbinol | | Descriptor: | 1~{H}-indol-3-ylmethanol, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2020-06-30 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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3J08
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6ZST
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 3-(3-methoxyquinoxalin-2-yl)propanoic acid | | Descriptor: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2020-07-16 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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6ZLP
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Aminopiazthiole | | Descriptor: | 2,1,3-benzothiadiazol-4-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2020-06-30 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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6ZP3
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2020-07-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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3J09
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3K7F
 | | Crystal Structure Analysis of a Phenhexyl/Oxazole/Carboxypyridine alpha-Ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase' | | Descriptor: | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, Fatty-acid amide hydrolase 1, ... | | Authors: | Mileni, M, Stevens, R.C, Boger, D.L. | | Deposit date: | 2009-10-13 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
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3J9O
 | | CryoEM structure of a type VI secretion system | | Descriptor: | Intracellular growth locus protein A, Intracellular growth locus protein B | | Authors: | Clemens, D.L, Ge, P, Lee, B.-Y, Horwitz, M.A, Zhou, Z.H. | | Deposit date: | 2015-02-11 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Atomic Structure of T6SS Reveals Interlaced Array Essential to Function.
Cell(Cambridge,Mass.), 160, 2015
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3K7D
 | | C-terminal (adenylylation) domain of E.coli Glutamine Synthetase Adenylyltransferase | | Descriptor: | Glutamate-ammonia-ligase adenylyltransferase, SULFATE ION | | Authors: | Xu, Y, Carr, P.D, Vasudevan, S.G, Ollis, D.L. | | Deposit date: | 2009-10-12 | | Release date: | 2009-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the Adenylylation Domain of E. coli Glutamine Synthetase Adenylyl Transferase: Evidence for Gene Duplication and Evolution of a New Active Site.
J.Mol.Biol., 396, 2010
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3K84
 | | Crystal Structure Analysis of a Oleyl/Oxadiazole/pyridine Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase | | Descriptor: | (9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one, CHLORIDE ION, Fatty-acid amide hydrolase 1 | | Authors: | Mileni, M, Stevens, R.C, Boger, D.L. | | Deposit date: | 2009-10-13 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
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3J1Z
 | | Inward-Facing Conformation of the Zinc Transporter YiiP revealed by Cryo-electron Microscopy | | Descriptor: | Cation efflux family protein | | Authors: | Coudray, N, Valvo, S, Hu, M, Lasala, R, Kim, C, Vink, M, Zhou, M, Provasi, D, Filizola, M, Tao, J, Fang, J, Penczek, P.A, Ubarretxena-Belandia, I, Stokes, D.L, Transcontinental EM Initiative for Membrane Protein Structure (TEMIMPS) | | Deposit date: | 2012-07-24 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (13 Å) | | Cite: | Inward-facing conformation of the zinc transporter YiiP revealed by cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 110, 2013
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7AKD
 | | Structure of the SARS-CoV-2 spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 47D11 neutralizing antibody heavy chain, ... | | Authors: | Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J. | | Deposit date: | 2020-09-30 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
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7B02
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid | | Descriptor: | 4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | Deposit date: | 2020-11-18 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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7AKJ
 | | Structure of the SARS-CoV spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J. | | Deposit date: | 2020-10-01 | | Release date: | 2021-05-19 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
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3K83
 | | Crystal Structure Analysis of a Biphenyl/Oxazole/Carboxypyridine alpha-ketoheterocycle Inhibitor Bound to a Humanized Variant of Fatty Acid Amide Hydrolase | | Descriptor: | 1-DODECANOL, 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid, CHLORIDE ION, ... | | Authors: | Mileni, M, Stevens, R.C, Boger, D.L. | | Deposit date: | 2009-10-13 | | Release date: | 2009-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.
J.Med.Chem., 53, 2010
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3KG6
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3KG8
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3KG9
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