2K38
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![BU of 2k38 by Molmil](/molmil-images/mine/2k38) | Cupiennin 1A, NMR, minimized average structure | Descriptor: | Cupiennin-1a | Authors: | Pukala, T.L, Boland, M.P, Gehman, J.D, Kuhn-Nentwig, L, Separovic, F, Bowie, J.H. | Deposit date: | 2008-04-23 | Release date: | 2008-05-20 | Last modified: | 2022-03-16 | Method: | SOLUTION NMR | Cite: | Solution structure and interaction of cupiennin 1a, a spider venom peptide, with phospholipid bilayers Biochemistry, 46, 2007
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8G36
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![BU of 8g36 by Molmil](/molmil-images/mine/8g36) | Crystal structure of F182L-CYP199A4 in complex with terephthalic acid | Descriptor: | CHLORIDE ION, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Lee, J.H.Z, Bruning, J.B, Bell, S.G. | Deposit date: | 2023-02-06 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme. J.Am.Chem.Soc., 145, 2023
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8G35
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![BU of 8g35 by Molmil](/molmil-images/mine/8g35) | Crystal structure of F182L-CYP199A4 in complex with (S)-4-(2-hydroxy-3-oxobutan-2-yl)benzoic acid | Descriptor: | 4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Lee, J.H.Z, Bell, S.G, Bruning, J.B. | Deposit date: | 2023-02-06 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering C-C Bond Cleavage Activity into a P450 Monooxygenase Enzyme. J.Am.Chem.Soc., 145, 2023
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7MO6
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![BU of 7mo6 by Molmil](/molmil-images/mine/7mo6) | |
6XPT
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![BU of 6xpt by Molmil](/molmil-images/mine/6xpt) | |
6XP4
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![BU of 6xp4 by Molmil](/molmil-images/mine/6xp4) | |
6XPS
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![BU of 6xps by Molmil](/molmil-images/mine/6xps) | |
6XPW
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6XPV
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6XP7
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![BU of 6xp7 by Molmil](/molmil-images/mine/6xp7) | |
6XPU
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6C5Q
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![BU of 6c5q by Molmil](/molmil-images/mine/6c5q) | PPARg LBD bound to SR10171 | Descriptor: | 2-{3-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Bruning, J.B, Frkic, R.L. | Deposit date: | 2018-01-16 | Release date: | 2018-08-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.404 Å) | Cite: | PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix. iScience, 5, 2018
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6C5T
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![BU of 6c5t by Molmil](/molmil-images/mine/6c5t) | PPARg LBD bound to SR11023 | Descriptor: | 2-{4-[(5-{[(1R)-1-(3-cyclopropylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]phenyl}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Bruning, J.B, Frkic, R.L, Griffin, P.R. | Deposit date: | 2018-01-16 | Release date: | 2018-08-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | PPAR gamma in Complex with an Antagonist and Inverse Agonist: a Tumble and Trap Mechanism of the Activation Helix. iScience, 5, 2018
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7RHV
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![BU of 7rhv by Molmil](/molmil-images/mine/7rhv) | Aspergillus fumigatus Enolase | Descriptor: | Enolase, MAGNESIUM ION | Authors: | Nguyen, S, Bruning, J.B. | Deposit date: | 2021-07-19 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural model of the human plasminogen and Aspergillus fumigatus enolase complex. Proteins, 90, 2022
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7RI0
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7RHW
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7R8P
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7R8Q
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![BU of 7r8q by Molmil](/molmil-images/mine/7r8q) | Closed form of SAOUHSC_02373 in complex with ADP, citrate, Mg2+ and Na+ | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, CITRIC ACID, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2021-06-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of an ʟ-amino acid ligase implicated in Staphylococcal sulfur amino acid metabolism. J.Biol.Chem., 298, 2022
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7RK5
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7RK4
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![BU of 7rk4 by Molmil](/molmil-images/mine/7rk4) | Mannitol-2-dehydrogenase from Aspergillus fumigatus | Descriptor: | Mannitol 2-dehydrogenase | Authors: | Nguyen, S, Bruning, J.B. | Deposit date: | 2021-07-22 | Release date: | 2022-07-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Targeting the Mannitol Biosynthesis Pathway in Aspergillus fumigatus: Characterisation and Inhibition of Mannitol-2-Dehydrogenase To Be Published
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7SQB
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![BU of 7sqb by Molmil](/molmil-images/mine/7sqb) | PPAR gamma LBD bound to Inverse Agonist SR10221 | Descriptor: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Frkic, R.L, Pederick, J.L, Bruning, J.B. | Deposit date: | 2021-11-05 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles. Acs Chem.Biol., 18, 2023
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7SQA
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![BU of 7sqa by Molmil](/molmil-images/mine/7sqa) | PPAR gamma LBD bound to SR10221 and SMRT corepressor motif | Descriptor: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Frkic, R.L, Pederick, J.L, Bruning, J.B. | Deposit date: | 2021-11-05 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles. Acs Chem.Biol., 18, 2023
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7UK6
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7UK8
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![BU of 7uk8 by Molmil](/molmil-images/mine/7uk8) | Apo form of YgiC from Escherichia coli K-12 | Descriptor: | MAGNESIUM ION, NICKEL (II) ION, Putative acid--amine ligase YgiC, ... | Authors: | Pederick, J.L, Bruning, J.B. | Deposit date: | 2022-03-31 | Release date: | 2023-02-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity. Biochemistry, 62, 2023
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7UK7
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![BU of 7uk7 by Molmil](/molmil-images/mine/7uk7) | |