4C16
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![BU of 4c16 by Molmil](/molmil-images/mine/4c16) | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic antagonist | Descriptor: | (1R,2R,3S)-3-methylcyclohexane-1,2-diol, (S)-CYCLOHEXYL LACTIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T. | Deposit date: | 2013-08-09 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation. J.Mol.Cell.Biol., 8, 2016
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4C00
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![BU of 4c00 by Molmil](/molmil-images/mine/4c00) | Crystal structure of TamA from E. coli | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, CHLORIDE ION, ... | Authors: | Gruss, F, Zaehringer, F, Jakob, R.P, Burmann, B.M, Hiller, S, Maier, T. | Deposit date: | 2013-07-30 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Structural Basis of Autotransporter Translocation by Tama Nat.Struct.Mol.Biol., 20, 2013
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4CSS
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![BU of 4css by Molmil](/molmil-images/mine/4css) | Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside | Descriptor: | 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH | Authors: | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | Deposit date: | 2014-03-10 | Release date: | 2015-02-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.069 Å) | Cite: | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile. J.Med.Chem., 58, 2015
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4CW4
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![BU of 4cw4 by Molmil](/molmil-images/mine/4cw4) | |
4CSY
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![BU of 4csy by Molmil](/molmil-images/mine/4csy) | E-selectin lectin, EGF-like and two SCR domains complexed with Sialyl Lewis X | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, E-SELECTIN, ... | Authors: | Preston, R.C, Jakob, R.P, Binder, F.P.C, Sager, C.P, Ernst, B, Maier, T. | Deposit date: | 2014-03-11 | Release date: | 2014-09-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | E-Selectin Ligand Complexes Adopt an Extended High-Affinity Conformation. J.Mol.Cell.Biol., 8, 2016
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2KGJ
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![BU of 2kgj by Molmil](/molmil-images/mine/2kgj) | |
6FIJ
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![BU of 6fij by Molmil](/molmil-images/mine/6fij) | Structure of the loading/condensing region (SAT-KS-MAT) of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ... | Authors: | Herbst, D.A, Jakob, R.P, Townsend, C.A, Maier, T. | Deposit date: | 2018-01-18 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | The structural organization of substrate loading in iterative polyketide synthases. Nat. Chem. Biol., 14, 2018
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6FIK
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![BU of 6fik by Molmil](/molmil-images/mine/6fik) | ACP2 crosslinked to the KS of the loading/condensing region of the CTB1 PKS | Descriptor: | Polyketide synthase | Authors: | Herbst, D.A, Huitt-Roehl, C.R, Jakob, R.P, Townsend, C.A, Maier, T. | Deposit date: | 2018-01-18 | Release date: | 2018-03-21 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | The structural organization of substrate loading in iterative polyketide synthases. Nat. Chem. Biol., 14, 2018
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6FN6
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![BU of 6fn6 by Molmil](/molmil-images/mine/6fn6) | Modifying region (DH-ER-KR) of an insect fatty acid synthase (FAS) | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, Fatty acid synthase 1, ... | Authors: | Benning, F.M.C, Bukhari, H.S.T, Jakob, R.P, Maier, T. | Deposit date: | 2018-02-02 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Modifying region (DH-ER-KR) of an insect fatty acid synthase (FAS) To Be Published
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4Z42
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![BU of 4z42 by Molmil](/molmil-images/mine/4z42) | Crystal structure of urease from Yersinia enterocolitica | Descriptor: | NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ... | Authors: | Studer, G, Jakob, R.P, Mahi, M.A, Wiesand, U, Schwede, T, Maier, T. | Deposit date: | 2015-04-01 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structure of urease from Yersinia enterocolitica To Be Published
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4Z37
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![BU of 4z37 by Molmil](/molmil-images/mine/4z37) | |
6HP2
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![BU of 6hp2 by Molmil](/molmil-images/mine/6hp2) | Crystal Structure of the O-Methyltransferase from the trans-AT PKS multienzyme C0ZGQ3 of Brevibacillus brevis in complex with S-Adenosyl-L-homocysteine | Descriptor: | Putative polyketide synthase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Jakob, R.P, Felber, P, Demyanenko, Y, Delbart, F, Maier, T. | Deposit date: | 2018-09-19 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Functional Analysis of an O-Methyltransferase from the trans-AT PKS biosynthesis pathway To Be Published
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6YL3
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![BU of 6yl3 by Molmil](/molmil-images/mine/6yl3) | High resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica | Descriptor: | NICKEL (II) ION, Urease subunit alpha, Urease subunit beta, ... | Authors: | Righetto, R.D, Anton, L, Adaixo, R, Jakob, R, Zivanov, J, Mahi, M.A, Ringler, P, Schwede, T, Maier, T, Stahlberg, H. | Deposit date: | 2020-04-06 | Release date: | 2020-05-06 | Last modified: | 2020-10-21 | Method: | ELECTRON MICROSCOPY (1.98 Å) | Cite: | High-resolution cryo-EM structure of urease from the pathogen Yersinia enterocolitica. Nat Commun, 11, 2020
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7T3H
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![BU of 7t3h by Molmil](/molmil-images/mine/7t3h) | MicroED structure of Dynobactin | Descriptor: | TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE | Authors: | Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S. | Deposit date: | 2021-12-07 | Release date: | 2022-10-19 | Method: | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | Cite: | Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
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8RQH
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![BU of 8rqh by Molmil](/molmil-images/mine/8rqh) | Crystal Structure of the flavoprotein monooxygenase TrlE from Streptomyces cyaneofuscatus Soc7 | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ... | Authors: | Sowa, S.T, Hoeing, L.S, Jakob, R.P, Maier, T, Teufel, R. | Deposit date: | 2024-01-18 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Biosynthesis of the bacterial antibiotic 3,7-dihydroxytropolone through enzymatic salvaging of catabolic shunt products. Chem Sci, 15, 2024
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5BP3
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![BU of 5bp3 by Molmil](/molmil-images/mine/5bp3) | Dehydratase domain (DH) of a mycocerosic acid synthase-like (MAS-like) PKS, crystal form 2 | Descriptor: | 1,2-ETHANEDIOL, Mycocerosic acid synthase-like polyketide synthase | Authors: | Herbst, D.A, Jakob, P.R, Zaehringer, F, Maier, T. | Deposit date: | 2015-05-27 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases. Nature, 531, 2016
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8B7S
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![BU of 8b7s by Molmil](/molmil-images/mine/8b7s) | Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp | Descriptor: | Chloramphenicol-inactivating oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Zhang, L, Toplak, M, Saleem-Batcha, R, Hoeing, L, Jakob, R.P, Jehmlich, N, von Bergen, M, Maier, T, Teufel, R. | Deposit date: | 2022-10-03 | Release date: | 2022-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol. Chembiochem, 24, 2023
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4CST
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![BU of 4cst by Molmil](/molmil-images/mine/4cst) | Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile | Descriptor: | 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH | Authors: | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | Deposit date: | 2014-03-10 | Release date: | 2015-02-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile. J.Med.Chem., 58, 2015
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5BP2
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![BU of 5bp2 by Molmil](/molmil-images/mine/5bp2) | Dehydratase domain (DH) of a mycocerosic acid synthase-like (MAS-like) PKS, crystal form 1 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Herbst, D.A, Jakob, P.R, Zaehringer, F, Maier, T. | Deposit date: | 2015-05-27 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases. Nature, 531, 2016
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5BP4
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![BU of 5bp4 by Molmil](/molmil-images/mine/5bp4) | Modifying region (DH-ER-KR) of a mycocerosic acid synthase-like (MAS-like) PKS | Descriptor: | Mycocerosic acid synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Herbst, D.A, Jakob, P.R, Zaehringer, F, Maier, T. | Deposit date: | 2015-05-27 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases. Nature, 531, 2016
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7Q3N
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![BU of 7q3n by Molmil](/molmil-images/mine/7q3n) | Cryo-EM of the complex between human uromodulin (UMOD)/Tamm-Horsfall protein (THP) and the FimH lectin domain from uropathogenic E. coli | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Type 1 fimbiral adhesin FimH, ... | Authors: | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | Deposit date: | 2021-10-28 | Release date: | 2022-03-16 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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2H90
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![BU of 2h90 by Molmil](/molmil-images/mine/2h90) | Xenobiotic reductase A in complex with coumarin | Descriptor: | (R,R)-2,3-BUTANEDIOL, COUMARIN, FLAVIN MONONUCLEOTIDE, ... | Authors: | Dobbek, H. | Deposit date: | 2006-06-08 | Release date: | 2006-08-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Xenobiotic reductase A in the degradation of quinoline by Pseudomonas putida 86: physiological function, structure and mechanism of 8-hydroxycoumarin reduction. J.Mol.Biol., 361, 2006
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2H8Z
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![BU of 2h8z by Molmil](/molmil-images/mine/2h8z) | Xenobiotic Reductase A in complex with 8-Hydroxycoumarin | Descriptor: | 8-HYDROXYCOUMARIN, FLAVIN MONONUCLEOTIDE, SULFATE ION, ... | Authors: | Dobbek, H. | Deposit date: | 2006-06-08 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Xenobiotic reductase A in the degradation of quinoline by Pseudomonas putida 86: physiological function, structure and mechanism of 8-hydroxycoumarin reduction. J.Mol.Biol., 361, 2006
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2H8X
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![BU of 2h8x by Molmil](/molmil-images/mine/2h8x) | Xenobiotic Reductase A-oxidized | Descriptor: | FLAVIN MONONUCLEOTIDE, SULFATE ION, Xenobiotic reductase A | Authors: | Dobbek, H. | Deposit date: | 2006-06-08 | Release date: | 2006-08-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Xenobiotic reductase A in the degradation of quinoline by Pseudomonas putida 86: physiological function, structure and mechanism of 8-hydroxycoumarin reduction. J.Mol.Biol., 361, 2006
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