6AWL
 
 | | Crystal structure of human Coq9 | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, ... | | Authors: | Bingman, C.A, Lohman, D.C, Smith, R.W, Pagliarini, D.J, Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2017-09-05 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Isoprene Lipid-Binding Protein Promotes Eukaryotic Coenzyme Q Biosynthesis.
Mol. Cell, 73, 2019
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7LVZ
 | | Crystal structure of ADO | | Descriptor: | 2-aminoethanethiol dioxygenase, CHLORIDE ION, FE (II) ION, ... | | Authors: | Bingman, C.A, Fernandez, R.L, Smith, R.W, Fox, B.G, Brunold, T.C. | | Deposit date: | 2021-02-26 | | Release date: | 2022-01-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | The Crystal Structure of Cysteamine Dioxygenase Reveals the Origin of the Large Substrate Scope of This Vital Mammalian Enzyme.
Biochemistry, 60, 2021
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3NDZ
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3NDY
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7UDP
 | | Crystal structure of COQ8A-CA157 inhibitor complex in space group C2 | | Descriptor: | 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial | | Authors: | Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J. | | Deposit date: | 2022-03-20 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Small-molecule inhibition of the archetypal UbiB protein COQ8.
Nat.Chem.Biol., 19, 2023
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7UDQ
 | | Crystal structure of COQ8A-CA157 inhibitor complex in space group P1 | | Descriptor: | 4-[(3,4,5-trimethoxyphenyl)amino]quinoline-7-carbonitrile, Atypical kinase COQ8A, mitochondrial, ... | | Authors: | Bingman, C.A, Murray, N, Smith, R.W, Pagliarini, D.J. | | Deposit date: | 2022-03-20 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small-molecule inhibition of the archetypal UbiB protein COQ8.
Nat.Chem.Biol., 19, 2023
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6DEW
 | | Structure of human COQ9 protein with bound isoprene. | | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, ... | | Authors: | Bingman, C.A, Lohman, D.C, Smith, R.W, Pagliarini, D.J. | | Deposit date: | 2018-05-13 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An Isoprene Lipid-Binding Protein Promotes Eukaryotic Coenzyme Q Biosynthesis.
Mol.Cell, 73, 2019
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5NCZ
 | | mPI3Kd IN COMPLEX WITH inh1 | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J. | | Deposit date: | 2017-03-06 | | Release date: | 2017-06-21 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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5NCY
 | | mPI3Kd IN COMPLEX WITH inh1 | | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | | Authors: | Petersen, J. | | Deposit date: | 2017-03-06 | | Release date: | 2017-06-21 | | Last modified: | 2017-07-05 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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7OIL
 | | mPI3Kd in complex with compound 58 | | Descriptor: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | | Authors: | Petersen, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-07-14 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7OI4
 | | mPI3Kd in complex with compound 12 | | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-07-14 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7OIJ
 | | mPI3Kd in complex with an inhibitor | | Descriptor: | 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ... | | Authors: | Petersen, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-07-14 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7OIS
 | | mPI3Kd in complex with compound 7 | | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | | Authors: | Petersen, J. | | Deposit date: | 2021-05-12 | | Release date: | 2021-07-14 | | Last modified: | 2021-09-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7K1A
 | | TtgR quadruple mutant (C137I I141W M167L F168Y) | | Descriptor: | HTH-type transcriptional regulator TtgR, MAGNESIUM ION | | Authors: | Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S. | | Deposit date: | 2020-09-07 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
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7KD8
 | | TtgR C137I I141W M167L F168Y mutant in complex with resveratrol | | Descriptor: | HTH-type transcriptional regulator TtgR, MAGNESIUM ION, RESVERATROL | | Authors: | Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S. | | Deposit date: | 2020-10-08 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
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7K1C
 | | TtgR in complex with resveratrol | | Descriptor: | HTH-type transcriptional regulator TtgR, MAGNESIUM ION, RESVERATROL | | Authors: | Bingman, C.A, Nishikawa, K.K, Smith, R.W, Raman, S. | | Deposit date: | 2020-09-07 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Epistasis shapes the fitness landscape of an allosteric specificity switch.
Nat Commun, 12, 2021
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5UUN
 | | Crystal structure of SARO_2595 from Novosphingobium aromaticivorans | | Descriptor: | ACETATE ION, GLUTATHIONE, Glutathione S-transferase-like protein | | Authors: | Bingman, C.A, Kontur, W.S, Olmsted, C.N, Fox, B.G, Donohue, T.J. | | Deposit date: | 2017-02-17 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Novosphingobium aromaticivoransuses a Nu-class glutathioneS-transferase as a glutathione lyase in breaking the beta-aryl ether bond of lignin.
J. Biol. Chem., 293, 2018
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5UUO
 | | Crystal structure of SARO_2595 from Novosphingobium aromaticivorans | | Descriptor: | 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase-like protein, ... | | Authors: | Bingman, C.A, Kontur, W.S, Olmsted, C.N, Fox, B.G, Donohue, T.J. | | Deposit date: | 2017-02-17 | | Release date: | 2018-02-28 | | Last modified: | 2022-03-16 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Novosphingobium aromaticivoransuses a Nu-class glutathioneS-transferase as a glutathione lyase in breaking the beta-aryl ether bond of lignin.
J. Biol. Chem., 293, 2018
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6XSU
 | | GH5-4 broad specificity endoglucanase from Ruminococcus flavefaciens | | Descriptor: | ETHANOL, GH5-4 broad specificity endoglucanase | | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | | Deposit date: | 2020-07-16 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
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6XRK
 | | GH5-4 broad specificity endoglucanase from an uncultured bovine rumen ciliate | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | | Deposit date: | 2020-07-13 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.419 Å) | | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
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6XSO
 | | GH5-4 broad specificity endoglucanase from an uncultured bacterium | | Descriptor: | (2S)-2-hydroxybutanedioic acid, Cellulase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | | Deposit date: | 2020-07-15 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
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6MQ4
 | | GH5-4 broad specificity endoglucanase from Hungateiclostridium cellulolyticum | | Descriptor: | DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | | Deposit date: | 2018-10-09 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis.
J.Biol.Chem., 295, 2020
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7OBM
 | | Crystal structure of the human Prolyl Endopeptidase-Like protein short form (residues 90-727) | | Descriptor: | Prolyl endopeptidase-like | | Authors: | Rosier, K, McDevitt, M.T, Brendan, J.F, Marcaida, M.J, Bingman, C.A, Pagliarini, D.J, Creemers, J.W.M, Smith, R.W, Mitochondrial Protein Partnership (MPP) | | Deposit date: | 2021-04-22 | | Release date: | 2021-11-10 | | Last modified: | 2022-02-02 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Prolyl endopeptidase-like is a (thio)esterase involved in mitochondrial respiratory chain function.
Iscience, 24, 2021
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8DJF
 | | Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound tetrahedral intermediate | | Descriptor: | (5S)-5-methyloxolane-2,2-diol, CALCIUM ION, Gluconolactonase, ... | | Authors: | Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J. | | Deposit date: | 2022-06-30 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
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8DK0
 | | Crystal structure of RPA3624, a beta-propeller lactonase from Rhodopseudomonas palustris, with active-site bound (S)gamma-valerolactone | | Descriptor: | CALCIUM ION, Gluconolactonase, SODIUM ION, ... | | Authors: | Bingman, C.A, Hall, B.W, Smith, R.W, Fox, B.G, Donohue, T.J. | | Deposit date: | 2022-07-01 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A broad specificity beta-propeller enzyme from Rhodopseudomonas palustris that hydrolyzes many lactones including gamma-valerolactone.
J.Biol.Chem., 299, 2022
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