4NTD
 
 | | Crystal structure of HlmI | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE, ... | | Authors: | Scharf, D.H, Groll, M, Habel, A, Heinekamp, T, Hertweck, C, Brakhage, A.A, Huber, E.M. | | Deposit date: | 2013-12-02 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Flavoenzyme-Catalyzed Formation of Disulfide Bonds in Natural Products
Angew.Chem.Int.Ed.Engl., 53, 2014
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6QSR
 | | The Dehydratase Heterocomplex ApeI:P from Xenorhabdus doucetiae | | Descriptor: | AMP-dependent synthetase and ligase, Beta-hydroxyacyl-(Acyl-carrier-protein) dehydratase FabA/FabZ, SODIUM ION | | Authors: | Grammbitter, G.L.C, Schmalhofer, M, Groll, M, Bode, H. | | Deposit date: | 2019-02-21 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | An Uncommon Type II PKS Catalyzes Biosynthesis of Aryl Polyene Pigments.
J.Am.Chem.Soc., 141, 2019
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6QSP
 | | Ketosynthase (ApeO) in Complex with its Chain Length Factor (ApeC) from Xenorhabdus doucetiae | | Descriptor: | Beta-ketoacyl synthase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Grammbitter, G.L.C, Schmalhofer, M, Groll, M, Bode, H. | | Deposit date: | 2019-02-21 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | An Uncommon Type II PKS Catalyzes Biosynthesis of Aryl Polyene Pigments.
J.Am.Chem.Soc., 141, 2019
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6Z35
 | | De-novo Maquette 2 protein with buried ion-pair | | Descriptor: | Maquette 2-1ip | | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M, Asami, S, Mader, S, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | | Deposit date: | 2020-05-19 | | Release date: | 2021-04-07 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Design of buried charged networks in artificial proteins.
Nat Commun, 12, 2021
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4EB3
 | | Crystal structure of IspH in complex with iso-HMBPP | | Descriptor: | 3-(hydroxymethyl)but-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Wang, W, Wang, K, Span, I, Bacher, A, Groll, M, Oldfield, E. | | Deposit date: | 2012-03-23 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Are free radicals involved in IspH catalysis? An EPR and crystallographic investigation.
J.Am.Chem.Soc., 134, 2012
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5T72
 | | Human carboanhydrase F131C_C206S double mutant in complex with 2 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, ... | | Authors: | DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J. | | Deposit date: | 2016-09-02 | | Release date: | 2017-09-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
ACS Chem. Biol., 13, 2018
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6Z0C
 | | Structure of in silico modelled artificial Maquette-3 protein | | Descriptor: | Maquette-3, POTASSIUM ION | | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | | Deposit date: | 2020-05-08 | | Release date: | 2021-03-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design of buried charged networks in artificial proteins
Nat Commun, 12, 2021
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8RHK
 | | Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ... | | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | Deposit date: | 2023-12-15 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
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8RHL
 | | Yeast 20S proteasome in complex with a linear biarylether epoxyketone (compound 15a) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear biarylether epoxyketone, ... | | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | Deposit date: | 2023-12-15 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
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8RHJ
 | | Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | | Deposit date: | 2023-12-15 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome.
Acs Med.Chem.Lett., 15, 2024
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1NED
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4S3E
 | | IspG in complex with Inhibitor 7 (compound 1061) | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3B
 | | IspG in complex with Intermediate II | | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S38
 | | IspG in complex MEcPP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3D
 | | IspG in complex with PPi | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4RUR
 | | Yeast 20S proteasome in complex with the alkaloid indolo-phakellin (4) | | Descriptor: | (2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | Authors: | Beck, P, Lansdell, T.A, Hewlett, N.M, Tepe, J.J, Groll, M. | | Deposit date: | 2014-11-21 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Indolo-Phakellins as beta 5-Specific Noncovalent Proteasome Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4S3F
 | | IspG in complex with Inhibitor 8 (compound 1077) | | Descriptor: | 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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4S3A
 | | IspG in complex with Intermediate I | | Descriptor: | (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ... | | Authors: | Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M. | | Deposit date: | 2015-01-26 | | Release date: | 2015-05-06 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
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6ZOU
 | | Yeast 20S proteasome in complex with glidobactin-like natural product HB333 | | Descriptor: | 11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
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6ZP8
 | | Yeast 20S proteasome in complex with glidobactin-like natural product HB335 | | Descriptor: | (2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | | Deposit date: | 2020-07-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
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6ZP6
 | | Yeast 20S proteasome in complex with glidobactin-like natural product HB334 | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | | Deposit date: | 2020-07-08 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
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8OI1
 | | Yeast 20S proteasome in complex with a photoswitchable cepafungin derivative (transCep4) | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | Authors: | Morstein, J, Amatuni, A, Schuster, A, Kuttenlochner, W, Ko, T, Groll, M, Adibekian, A, Renata, H, Trauner, D.H. | | Deposit date: | 2023-03-21 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Optical Control of Proteasomal Protein Degradation with a Photoswitchable Lipopeptide.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8OHZ
 | | Yeast 20S proteasome in complex with a photoswitchable cepafungin derivative (transCep1) | | Descriptor: | (2~{S},3~{R})-2-[2-[4-[2-(4-ethylphenyl)hydrazinyl]phenyl]ethanoylamino]-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-butanamide, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Morstein, J, Amatuni, A, Schuster, A, Kuttenlochner, W, Ko, T, Groll, M, Adibekian, A, Renata, H, Trauner, D.H. | | Deposit date: | 2023-03-21 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Optical Control of Proteasomal Protein Degradation with a Photoswitchable Lipopeptide.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8QBI
 | | AntI in closed state | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, ... | | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | | Deposit date: | 2023-08-24 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 2024
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8QBH
 | | AntI in complex with 1-Naphthol | | Descriptor: | 1-NAPHTHOL, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17 | | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | | Deposit date: | 2023-08-24 | | Release date: | 2024-03-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments.
Adv Sci, 2024
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