7NCU
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7NCT
| Glutathione-S-transferase GliG mutant K127G | Descriptor: | Glutathione S-transferase GliG | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-29 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NC2
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7NCE
| Glutathione-S-transferase GliG mutant N27A | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-28 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NCL
| Glutathione-S-transferase GliG mutant E82Q | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Glutathione S-transferase GliG | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-29 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NC1
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7NCD
| Glutathione-S-transferase GliG mutant N27D | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Glutathione S-transferase GliG, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-28 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NC8
| Glutathione-S-transferase GliG mutant S24A | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-28 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NC6
| Glutathione-S-transferase GliG in complex with cyclo[L-Phe-L-Ser]-bis-glutathione-adduct | Descriptor: | (2~{S})-2-azanyl-5-[[(2~{R})-3-[(2~{R},5~{R})-5-(hydroxymethyl)-3,6-bis(oxidanylidene)-2-(phenylmethyl)-5-sulfanyl-piperazin-2-yl]sulfanyl-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-28 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NCO
| Glutathione-S-transferase GliG mutant K127R | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glutathione S-transferase GliG | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-29 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NC5
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7NCN
| Glutathione-S-transferase GliG mutant S83A | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-29 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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7NC3
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7NCP
| Glutathione-S-transferase GliG mutant K127A | Descriptor: | 1,2-ETHANEDIOL, Glutathione S-transferase GliG, SODIUM ION | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2021-01-29 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin. Angew.Chem.Int.Ed.Engl., 60, 2021
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5OA4
| Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with 4-methoxycyclopeptin (1) | Descriptor: | (3S)-3-(4-methoxybenzyl)-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-06-20 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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5OA7
| Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with cyclopeptin (1b) | Descriptor: | 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-06-21 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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5OA8
| Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72I mutant in complex with demethylated cyclopeptin (1d) | Descriptor: | 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-06-21 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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5NRU
| Cys-Gly dipeptidase GliJ in complex with Zn2+ | Descriptor: | CHLORIDE ION, Dipeptidase gliJ, ZINC ION | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2017-04-25 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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4GK7
| yeast 20S proteasome in complex with the Syringolin-Glidobactin chimera | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | Authors: | Groll, M, Stein, M.L, Bachmann, A. | Deposit date: | 2012-08-10 | Release date: | 2012-08-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Activity enhancement of the synthetic syrbactin proteasome inhibitor hybrid and biological evaluation in tumor cells. Biochemistry, 51, 2012
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6EOZ
| Fe(II)/(alpha)ketoglutarate-dependent dioxygenase AsqJ_V72K mutant in complex with cyclopeptin (1b) | Descriptor: | 2-OXOGLUTARIC ACID, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, NICKEL (II) ION, ... | Authors: | Groll, M, Braeuer, A, Kaila, V.R.I. | Deposit date: | 2017-10-10 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Catalytic mechanism and molecular engineering of quinolone biosynthesis in dioxygenase AsqJ. Nat Commun, 9, 2018
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6G7F
| Yeast 20S proteasome in complex with Cystargolide B | Descriptor: | CHLORIDE ION, Cystargolide B- bound form, MAGNESIUM ION, ... | Authors: | Groll, M, Tello-Aburto, R. | Deposit date: | 2018-04-05 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors. Eur J Med Chem, 157, 2018
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6G8M
| Yeast 20S proteasome in complex with Cystargolide B Derivative 1 | Descriptor: | (2~{S},3~{R})-4-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-4-oxidanylidene-2-propan-2-yl-butanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Groll, M, Tello-Aburto, R. | Deposit date: | 2018-04-09 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors. Eur J Med Chem, 157, 2018
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6G8N
| Yeast 20S proteasome in complex with Cystargolide B Derivative 2 | Descriptor: | (2~{S},3~{S})-3-methyl-2-[(1~{R})-2-[[(2~{S})-3-methyl-1-[[(2~{S})-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl] amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanyl-2-oxidanylidene-ethyl]pentanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Groll, M, Tello-Aburto, R. | Deposit date: | 2018-04-09 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design, synthesis, and evaluation of cystargolide-based beta-lactones as potent proteasome inhibitors. Eur J Med Chem, 157, 2018
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6H39
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4Y6Z
| Yeast 20S proteasome in complex with Ac-PAL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-PAL-ep, CHLORIDE ION, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2015-02-13 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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