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6AWL
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BU of 6awl by Molmil
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
7UDP
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BU of 7udp by Molmil
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
7UDQ
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BU of 7udq by Molmil
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
6DEW
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BU of 6dew by Molmil
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
3NDZ
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BU of 3ndz by Molmil
The structure of the catalytic and carbohydrate binding domain of endoglucanase D from Clostridium cellulovorans bound to cellotriose
Descriptor: Endoglucanase D, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Bianchetti, C.M, Smith, R.W, Bingman, C.A, Phillips Jr, G.N.
Deposit date:2010-06-08
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The structure of the catalytic and carbohydrate binding domain of endoglucanase D bound to cellotriose
To be Published
3NDY
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BU of 3ndy by Molmil
The structure of the catalytic and carbohydrate binding domain of endoglucanase D from Clostridium cellulovorans
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglucanase D
Authors:Bianchetti, C.M, Smith, R.W, Bingman, C.A, Phillips Jr, G.N.
Deposit date:2010-06-08
Release date:2010-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of the catalytic and carbohydrate binding domain of endoglucanase D
To be Published
7LVZ
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BU of 7lvz by Molmil
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:2024-02-28
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
5NCZ
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BU of 5ncz by Molmil
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
5NCY
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BU of 5ncy by Molmil
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
7OIL
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BU of 7oil by Molmil
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
7OI4
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BU of 7oi4 by Molmil
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
7OIJ
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BU of 7oij by Molmil
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
7OIS
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BU of 7ois by Molmil
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
7K1A
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BU of 7k1a by Molmil
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
7KD8
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BU of 7kd8 by Molmil
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
7K1C
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BU of 7k1c by Molmil
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
5UUN
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BU of 5uun by Molmil
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
5UUO
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BU of 5uuo by Molmil
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
6WQV
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BU of 6wqv by Molmil
GH5-4 broad specificity endoglucanase from Ruminococcus champanellensis with bound cellotriose
Descriptor: 1,2-ETHANEDIOL, Endoglucanase, NITRATE ION, ...
Authors:Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
Deposit date:2020-04-29
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.45 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
6WQY
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BU of 6wqy by Molmil
GH5-4 broad specificity endoglucanase from Bacteroides salanitronis
Descriptor: CHLORIDE ION, Cellulase, MAGNESIUM ION
Authors:Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
Deposit date:2020-04-29
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 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
6WQP
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BU of 6wqp by Molmil
GH5-4 broad specificity endoglucanase from Ruminococcus champanellensis
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, Endoglucanase, ...
Authors:Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G.
Deposit date:2020-04-29
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 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
6XSU
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BU of 6xsu by Molmil
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
6XRK
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BU of 6xrk by Molmil
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
6XSO
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BU of 6xso by Molmil
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
7V0J
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BU of 7v0j by Molmil
Crystal structure of a CelR catalytic domain active site mutant with bound cellobiose product
Descriptor: CALCIUM ION, Glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Bingman, C.A, Kuch, N, Kutsche, M.E, Parker, A, Smith, R.W, Fox, B.G.
Deposit date:2022-05-10
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Contribution of calcium ligands in substrate binding and product release in the Acetovibrio thermocellus glycoside hydrolase family 9 cellulase CelR.
J.Biol.Chem., 299, 2023

 

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