6D3E
 
 | | PPARg LBD in Complex with SR1988 | | Descriptor: | 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma | | Authors: | Frkic, R.L, Bruning, J.B. | | Deposit date: | 2018-04-15 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.395 Å) | | Cite: | Structural and Dynamic Elucidation of a Non-acid PPARgammaPartial Agonist: SR1988.
Nucl Receptor Res, 5, 2018
|
|
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
|
|
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
|
|
8UPI
 | | Structure of a periplasmic peptide binding protein from Mesorhizobium sp. AP09 bound to aminoserine | | Descriptor: | 1,2-ETHANEDIOL, AMINOSERINE, CALCIUM ION, ... | | Authors: | Frkic, R.L, Smith, O.B, Rahman, M, Kaczmarski, J.A, Jackson, C.J. | | Deposit date: | 2023-10-22 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of a periplasmic peptide binding protein from Mesorhizobium sp. AP09 bound to aminoserine
To Be Published
|
|
8E5H
 | |
8E5I
 | |
7N3J
 | |
5TTO
 | | X-ray crystal structure of PPARgamma in complex with SR1643 | | Descriptor: | 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma | | Authors: | Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A. | | Deposit date: | 2016-11-04 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.246 Å) | | Cite: | Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics.
J. Med. Chem., 60, 2017
|
|
7R6O
 | | Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS) | | Descriptor: | 1,2-ETHANEDIOL, Pyrrolysyl-tRNA synthetase PylS, SULFATE ION | | Authors: | Frkic, R.L, Huber, T, Jackson, C.J. | | Deposit date: | 2021-06-23 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Genetic Encoding of Cyanopyridylalanine for In-Cell Protein Macrocyclization by the Nitrile-Aminothiol Click Reaction.
Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7RFD
 | |
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
|
|
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
|
|
8UQW
 | | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 13 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
8UQX
 | | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
8UQY
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Europium(III) Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, EUROPIUM (III) ION, ... | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
8UQZ
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Gadolinium(III) Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GADOLINIUM ION, ... | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
|
|
8D4W
 | | Asymmetric ene-reduction of alpha,beta-unsaturated compounds using MSMEG_2850 | | Descriptor: | Cell entry (Mce) related family protein, DI(HYDROXYETHYL)ETHER, GLYCEROL | | Authors: | Kang, S.W, Frkic, R.L, Jackson, C. | | Deposit date: | 2022-06-02 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Asymmetric Ene-Reduction of alpha , beta-Unsaturated Compounds by F 420 -Dependent Oxidoreductases A Enzymes from Mycobacterium smegmatis .
Biochemistry, 62, 2023
|
|
8EKG
 | | MHETase variant Thr159Val, Met192Tyr, Tyr252Phe, Tyr503Trp | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saunders, J.W, Frkic, R.L, Jackson, C.J. | | Deposit date: | 2022-09-20 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | MHETase protein engineering using a novel colorimetric assay
To Be Published
|
|
8ETY
 | |
8EU0
 | |
8EU1
 | |
8ETZ
 | |
8ETX
 | |
8F9X
 | | Cyclase-PTE | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Ji, D, Frkic, R.L, Jackson, C.J. | | Deposit date: | 2022-11-24 | | Release date: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Cyclase-PTE
To Be Published
|
|
7RNW
 | |
