5FGH
 
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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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6EK4
 | | PaxB from Photorhabdus luminescens | | Descriptor: | PaxB, SODIUM ION | | Authors: | Braeuning, B, Groll, M. | | Deposit date: | 2017-09-25 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
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6EL1
 | | YaxAB pore complex | | Descriptor: | YaxA, YaxB | | Authors: | Braeuning, B, Bertosin, E, Dietz, H, Groll, M. | | Deposit date: | 2017-09-27 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
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6EK7
 | | YaxA from Yersinia enterocolitica | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, YaxA | | Authors: | Braeuning, B, Groll, M. | | Deposit date: | 2017-09-25 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
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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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6EK8
 | | YaxB from Yersinia enterocolitica | | Descriptor: | YaxB | | Authors: | Braeuning, B, Groll, M. | | Deposit date: | 2017-09-25 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
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8CRI
 | | Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LIPOIC ACID, ... | | Authors: | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | | Deposit date: | 2023-03-08 | | Release date: | 2023-06-07 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8CRJ
 | | Crystal structure of LplA1 in complex with lipoyl-AMP (Listeria monocytogenes) | | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, GLYCEROL, ... | | Authors: | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | | Deposit date: | 2023-03-08 | | Release date: | 2023-06-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8CRL
 | | Crystal structure of LplA1 in complex with the inhibitor C3 (Listeria monocytogenes) | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | | Authors: | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | | Deposit date: | 2023-03-08 | | Release date: | 2023-06-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
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3R0I
 | | IspC in complex with an N-methyl-substituted hydroxamic acid | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid | | Authors: | Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T. | | Deposit date: | 2011-03-08 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr).
J.Med.Chem., 54, 2011
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3SHJ
 | | Proteasome in complex with hydroxyurea derivative HU10 | | Descriptor: | 1-hydroxy-1-[(2R)-4-{3-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yloxy]phenyl}but-3-yn-2-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proteasome component C1, ... | | Authors: | Gallastegui, N, Beck, P, Arciniega, M, Hillebrand, S, Huber, R, Groll, M. | | Deposit date: | 2011-06-16 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Hydroxyureas as noncovalent proteasome inhibitors.
Angew.Chem.Int.Ed.Engl., 51, 2012
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5JHR
 | | Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 27 | | Descriptor: | (2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2016-04-21 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes.
J.Med.Chem., 59, 2016
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5JHS
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8A82
 | | Fe(II)/aKG-dependent halogenase OocPQ | | Descriptor: | Cupin_8 domain-containing protein, FE (III) ION, GLYCEROL, ... | | Authors: | Fraley, A.E, Meoded, R.A, Schmalhofer, M, Bergande, C, Groll, M, Piel, J. | | Deposit date: | 2022-06-21 | | Release date: | 2023-03-08 | | Last modified: | 2023-05-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Heterocomplex structure of a polyketide synthase component involved in modular backbone halogenation.
Structure, 31, 2023
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4FZC
 | | 20S yeast proteasome in complex with cepafungin I | | Descriptor: | Cepafungin I, Proteasome component C1, Proteasome component C11, ... | | Authors: | Stein, M, Beck, P, Kaiser, M, Dudler, R, Becker, C.F.W, Groll, M. | | Deposit date: | 2012-07-06 | | Release date: | 2012-10-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | One-shot NMR analysis of microbial secretions identifies highly potent proteasome inhibitor.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4FZG
 | | 20S yeast proteasome in complex with glidobactin | | Descriptor: | Glidobactin, Proteasome component C1, Proteasome component C11, ... | | Authors: | Stein, M, Beck, P, Kaiser, M, Dudler, R, Becker, C.F.W, Groll, M. | | Deposit date: | 2012-07-06 | | Release date: | 2012-10-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | One-shot NMR analysis of microbial secretions identifies highly potent proteasome inhibitor.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1K32
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1MT3
 | | Crystal Structure of the Tricorn Interacting Factor Selenomethionine-F1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proline iminopeptidase | | Authors: | Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H. | | Deposit date: | 2002-09-20 | | Release date: | 2002-11-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
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1MTZ
 | | Crystal Structure of the Tricorn Interacting Factor F1 | | Descriptor: | Proline iminopeptidase | | Authors: | Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H. | | Deposit date: | 2002-09-23 | | Release date: | 2002-11-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
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1MU0
 | | Crystal Structure of the Tricorn Interacting Factor F1 Complex with PCK | | Descriptor: | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL, Proline iminopeptidase | | Authors: | Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H. | | Deposit date: | 2002-09-23 | | Release date: | 2002-11-06 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
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4FEI
 | | Hsp17.7 from Deinococcus radiodurans | | Descriptor: | Heat shock protein-related protein | | Authors: | Bepperling, A, Alte, F, Kriehuber, T, Braun, N, Weinkauf, S, Groll, M, Haslbeck, M, Buchner, J. | | Deposit date: | 2012-05-30 | | Release date: | 2012-12-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Alternative bacterial two-component small heat shock protein systems.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7PCL
 | | BurG (holo) in complex with 2-hydroxy-2-(hydroxy(isopropyl)amino)acetate (11): Biosynthesis of cyclopropanolrings in bacterial toxins | | Descriptor: | (2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCI
 | | BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (Z)-2,3-bis(oxidanyl)prop-2-enoic acid, IMIDAZOLE, Ketol-acid reductoisomerase, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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7PCM
 | | BurG (holo) in complex with (Z)-2,3-dihydroxy-6-methyl-hept-2-enoate (13): Biosynthesis of cyclopropanol rings in bacterial toxins | | Descriptor: | (Z)-6-methyl-2,3-bis(oxidanyl)hept-2-enoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Ketol-acid reductoisomerase, ... | | Authors: | Trottmann, F, Ishida, K, Ishida, M, Kries, H, Groll, M, Hertweck, C. | | Deposit date: | 2021-08-03 | | Release date: | 2022-08-10 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Nat.Chem., 14, 2022
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