7OLP
| Dioxygenase AsqJ mutant (V72I) in complex with 2 and alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, 4-Methoxydehydrocyclopeptin, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ... | Authors: | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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7OLQ
| Dioxygenase AsqJ mutant (V72I) in complex with 2 and Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-Methoxydehydrocyclopeptin, BROMIDE ION, ... | Authors: | Auman, D, Mader, S.L, Ecker, F, Dorst, K, Braeuer, A, Widmalm, G, Groll, M, Kaila, V.R.I. | Deposit date: | 2021-05-20 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Peroxy Intermediate Drives Carbon Bond Activation in the Dioxygenase AsqJ. J.Am.Chem.Soc., 144, 2022
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4MXI
| ClpP Ser98dhA | Descriptor: | ATP-dependent Clp protease proteolytic subunit | Authors: | Gersch, M, Kolb, R, Alte, F, Groll, M, Sieber, S.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Disruption of Oligomerization and Dehydroalanine Formation as Mechanisms for ClpP Protease Inhibition. J.Am.Chem.Soc., 136, 2014
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4JSU
| Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:3a | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | Authors: | Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M. | Deposit date: | 2013-03-22 | Release date: | 2013-05-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome J.Med.Chem., 56, 2013
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4JSQ
| Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4e | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | Authors: | Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M. | Deposit date: | 2013-03-22 | Release date: | 2013-05-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome J.Med.Chem., 56, 2013
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4JVW
| IgM C4-domain from mouse | Descriptor: | Ig mu chain C region secreted form | Authors: | Mueller, R, Graewert, A.M, Kern, T, Madl, T, Peschek, J, Sattler, M, Groll, M, Buchner, J. | Deposit date: | 2013-03-26 | Release date: | 2013-06-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structures of the IgM Fc domains reveal principles of its hexamer formation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JVU
| IgM C2-domain from mouse | Descriptor: | Ig mu chain C region membrane-bound form | Authors: | Mueller, R, Graewert, A.M, Kern, T, Madl, T, Peschek, J, Sattler, M, Groll, M, Buchner, J. | Deposit date: | 2013-03-26 | Release date: | 2013-06-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | High-resolution structures of the IgM Fc domains reveal principles of its hexamer formation. Proc.Natl.Acad.Sci.USA, 110, 2013
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4JT0
| Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:4a | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | Authors: | Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M. | Deposit date: | 2013-03-22 | Release date: | 2013-05-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome. J.Med.Chem., 56, 2013
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4KP7
| Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (III) ION, ... | Authors: | Kunfermann, A, Bacher, A, Groll, M. | Deposit date: | 2013-05-13 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | IspC as Target for Antiinfective Drug Discovery: Synthesis, Enantiomeric Separation, and Structural Biology of Fosmidomycin Thia Isosters. J.Med.Chem., 56, 2013
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5DKI
| Yeast 20S proteasome in complex with alkyne-PI | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Beck, P, Cui, H, Groll, M. | Deposit date: | 2015-09-03 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation. Chemmedchem, 10, 2015
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8A7K
| PcIDS1 in complex with Mg2+/Mn2+, IPP, and ZOL | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-21 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A7A
| PcIDS1 in complex with Mg2+ and 3-Br-GPP | Descriptor: | Isoprenyl diphosphate synthase, MAGNESIUM ION, [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-20 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A7L
| PcIDS1 in complex with Mg2+, GPP, and ZOL | Descriptor: | GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-21 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A7C
| PcIDS1 in complex with Mg2+, IPP, and ZOL | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-20 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A7J
| PcIDS1 in complex with Mn2+, IPP, and ZOL | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-21 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A7R
| PcIDS1_I420A in complex with Mg2+ and GPP | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GERANYL DIPHOSPHATE, GLYCEROL, ... | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-21 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A7U
| PcIDS1_F315D in complex with Mg2+ and GPP | Descriptor: | GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | Authors: | Ecker, F, Boland, F, Groll, M. | Deposit date: | 2022-06-21 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A7B
| PcIDS1_D319N in complex with Mg2+ and 3-Br-GPP | Descriptor: | CARBONATE ION, GLYCEROL, Isoprenyl diphosphate synthase, ... | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-20 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8A78
| PcIDS1_F315A in complex with Mg2+/Mn2+ and GPP | Descriptor: | GERANYL DIPHOSPHATE, GLYCEROL, Isoprenyl diphosphate synthase, ... | Authors: | Ecker, F, Boland, W, Groll, M. | Deposit date: | 2022-06-20 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Metal-dependent enzyme symmetry guides the biosynthetic flux of terpene precursors. Nat.Chem., 15, 2023
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8ANP
| Legionella effector Lem3 mutant D190A in complex with Mg2+ | Descriptor: | MAGNESIUM ION, Phosphocholine hydrolase Lem3, SULFATE ION, ... | Authors: | Kaspers, M.S, Pogenberg, V, Ernst, S, Ecker, F, Pett, C, Ochtrop, P, Hedberg, C, Groll, M, Itzen, A. | Deposit date: | 2022-08-05 | Release date: | 2023-04-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b. Nat Commun, 14, 2023
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5DKJ
| Yeast 20S proteasome in complex with octreotide-PI | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Beck, P, Cui, H, Groll, M. | Deposit date: | 2015-09-03 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Targeted Delivery of Proteasome Inhibitors to Somatostatin-Receptor-Expressing Cancer Cells by Octreotide Conjugation. Chemmedchem, 10, 2015
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4OKM
| Selinadiene Synthase apo and in complex with diphosphate | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, Terpene synthase metal-binding domain-containing protein | Authors: | Baer, P, Rabe, P, Fischer, K, Citron, C.A, Klapschinski, T, Groll, M, Dickschat, J.S. | Deposit date: | 2014-01-22 | Release date: | 2014-06-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Induced-fit mechanism in class i terpene cyclases. Angew.Chem.Int.Ed.Engl., 53, 2014
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4HNP
| Crystal structure of yeast 20S proteasome in complex with vinylketone carmaphycin analogue VNK1 | Descriptor: | N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, Proteasome component C1, ... | Authors: | Trivella, D.B.B, Stein, M, Groll, M. | Deposit date: | 2012-10-20 | Release date: | 2014-01-29 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor. Chem.Biol., 21, 2014
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4Q3D
| PylD cocrystallized with L-Ornithine-Nd-D-ornithine and NAD+ | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2014-04-11 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 53, 2014
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4Q3C
| PylD cocrystallized with L-Lysine-Ne-L-lysine and NAD+ | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Quitterer, F, Beck, P, Bacher, A, Groll, M. | Deposit date: | 2014-04-11 | Release date: | 2014-04-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Formation of Pyrroline and Tetrahydropyridine Rings in Amino Acids Catalyzed by Pyrrolysine Synthase (PylD). Angew.Chem.Int.Ed.Engl., 53, 2014
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