8QD1
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![BU of 8qd1 by Molmil](/molmil-images/mine/8qd1) | Ayg1p from A. fumigatus catalyzes polyketide shortening in the biosynthesis of DHN-melanin | Descriptor: | Pigment biosynthesis protein yellowish-green 1 | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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8QD3
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![BU of 8qd3 by Molmil](/molmil-images/mine/8qd3) | Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | Descriptor: | 1,2-ETHANEDIOL, FLAVIOLIN, Pigment biosynthesis protein yellowish-green 1, ... | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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8QDB
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![BU of 8qdb by Molmil](/molmil-images/mine/8qdb) | Wdyg1p Ser256DHA (PSF) | Descriptor: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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8QD4
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![BU of 8qd4 by Molmil](/molmil-images/mine/8qd4) | Ayg1p active site converted to tetrahedral sulfonate ester | Descriptor: | Pigment biosynthesis protein yellowish-green 1, phenylmethanesulfonic acid | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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8QD9
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![BU of 8qd9 by Molmil](/molmil-images/mine/8qd9) | Wdyg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | Descriptor: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3,6,8-tetrol | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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8QD6
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![BU of 8qd6 by Molmil](/molmil-images/mine/8qd6) | AntI Ser245DHA (PMSF) | Descriptor: | ACETATE ION, Photorhabdus luminescens subsp. laumondii TTO1 complete genome segment 15/17, SODIUM ION, ... | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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8QD2
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![BU of 8qd2 by Molmil](/molmil-images/mine/8qd2) | Ayg1p in complex with 1,3-Dihydroxynaphthalene | Descriptor: | Pigment biosynthesis protein yellowish-green 1, naphthalene-1,3-diol | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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8QD5
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![BU of 8qd5 by Molmil](/molmil-images/mine/8qd5) | AntI Ser245DHA (PSF) | 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: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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8QD8
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![BU of 8qd8 by Molmil](/molmil-images/mine/8qd8) | Wdyg1p in complex with 1,3-Dihydroxynaphthalene | Descriptor: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3-diol | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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1N6E
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![BU of 1n6e by Molmil](/molmil-images/mine/1n6e) | tricorn protease in complex with a tridecapeptide chloromethyl ketone derivative | Descriptor: | DQTQKAAAELTFF, Tricorn protease | Authors: | Kim, J.-S, Groll, M, Huber, R, Brandstetter, H. | Deposit date: | 2002-11-10 | Release date: | 2002-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Navigation Inside a Protease: Substrate Selection and Product Exit in the Tricorn Protease
from Thermoplasma acidophilum J.Mol.Biol., 324, 2002
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1N6F
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![BU of 1n6f by Molmil](/molmil-images/mine/1n6f) | tricorn protease in complex with Z-Phe-diketo-Arg-Glu-Phe | Descriptor: | 4-[2-(3-BENZYLOXYCARBONYLAMINO-4-CYCLOHEXYL-1-HYDROXY-2-OXO-BUTYLAMINO)-5-GUANIDINO-PENTANOYLAMINO]-4-(1-CARBOXY-2-CYCLOHEXYL-ETHYLCARBAMOYL)-BUTYRIC ACID, tricorn protease | Authors: | Kim, J.-S, Groll, M, Huber, R, Brandstetter, H. | Deposit date: | 2002-11-10 | Release date: | 2002-12-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Navigation Inside a Protease: Substrate Selection and Product Exit in the Tricorn Protease
from Thermoplasma acidophilum J.Mol.Biol., 324, 2002
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8QDA
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![BU of 8qda by Molmil](/molmil-images/mine/8qda) | Wdyg1p Ser256DHA (PMSF) | Descriptor: | 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, Yellowish-green 1-like protein | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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8R04
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![BU of 8r04 by Molmil](/molmil-images/mine/8r04) | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active Site Inhibitor Cystargolide A | Descriptor: | ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | Deposit date: | 2023-10-30 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
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8R05
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![BU of 8r05 by Molmil](/molmil-images/mine/8r05) | Photorhabdus lamondii ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.5 A resolution | Descriptor: | ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | Deposit date: | 2023-10-30 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
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8R03
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![BU of 8r03 by Molmil](/molmil-images/mine/8r03) | Staphylococcus aureus ClpP in complex with the natural product beta-lactone inhibitor Cystargolide A at 2.0 A resolution | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, Cystargolide A (bound) | Authors: | Illigmann, A, Vielberg, M.-T, Lakemeyer, M, Wolf, F, Staudt, N, Dema, T, Stange, P, Liebhart, E, Kuttenlochner, W, Kulik, A, Malik, I, Grond, S, Sieber, S.A, Groll, M, Kaysser, L, Broetz-Oesterhelt, H. | Deposit date: | 2023-10-30 | Release date: | 2023-12-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of Staphylococcus aureus ClpP Bound to the Covalent Active-Site Inhibitor Cystargolide A. Angew.Chem.Int.Ed.Engl., 63, 2024
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8QD7
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![BU of 8qd7 by Molmil](/molmil-images/mine/8qd7) | Wdyg1p from W. dermatitidis catalyzes polyketide shortening in the biosynthesis of DHN-melanin | Descriptor: | Yellowish-green 1-like protein | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 2024
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1N6D
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![BU of 1n6d by Molmil](/molmil-images/mine/1n6d) | Tricorn protease in complex with tetrapeptide chloromethyl ketone derivative | Descriptor: | DECANE, RVRK, Tricorn protease | Authors: | Kim, J.-S, Groll, M, Huber, R, Brandstetter, H. | Deposit date: | 2002-11-10 | Release date: | 2002-12-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Navigation Inside a Protease: Substrate Selection and Product Exit in the Tricorn Protease
from Thermoplasma acidophilum J.Mol.Biol., 324, 2002
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7AW9
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![BU of 7aw9 by Molmil](/molmil-images/mine/7aw9) | CCAAT-binding complex and HapX bound to Aspergillus fumigatus cccA DNA | Descriptor: | BZIP domain-containing protein, CBFD_NFYB_HMF domain-containing protein, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2020-11-06 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural insights into cooperative DNA recognition by the CCAAT-binding complex and its bZIP transcription factor HapX. Structure, 30, 2022
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7AW7
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![BU of 7aw7 by Molmil](/molmil-images/mine/7aw7) | CCAAT-binding complex and HapX bound to Aspergillus nidulans cccA DNA | Descriptor: | BZIP domain-containing protein, CBFD_NFYB_HMF domain-containing protein, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2020-11-06 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural insights into cooperative DNA recognition by the CCAAT-binding complex and its bZIP transcription factor HapX. Structure, 30, 2022
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5T74
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![BU of 5t74 by Molmil](/molmil-images/mine/5t74) | Human carboanhydrase F131C_C206S double mutant in complex with 14 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | 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 (1.2 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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5T71
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![BU of 5t71 by Molmil](/molmil-images/mine/5t71) | Human carboanhydrase F131C_C206S double mutant in complex with SA-2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-diazenyl]benzene-1-sulfonamide, ... | 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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5T75
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![BU of 5t75 by Molmil](/molmil-images/mine/5t75) | Human carbonic anhydrase II G132C_C206S double mutant in complex with SA-2 | Descriptor: | 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 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 (1.5 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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7PCI
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![BU of 7pci by Molmil](/molmil-images/mine/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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7PCL
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![BU of 7pcl by Molmil](/molmil-images/mine/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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7PCO
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![BU of 7pco by Molmil](/molmil-images/mine/7pco) | BurG E232Q mutant (holo) in complex with 2R,3R-2,3-dihydroxy-6-methyl-heptanoate (12): Biosynthesis of cyclopropanol rings in bacterial toxins | Descriptor: | (2R,3R)-6-methyl-2,3-bis(oxidanyl)heptanoic acid, GLYCEROL, 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 (1.55 Å) | Cite: | Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead. Nat.Chem., 14, 2022
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