8AS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8as4 by Molmil](/molmil-images/mine/8as4) | |
5MCA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mca by Molmil](/molmil-images/mine/5mca) | Crystal structure of FimH-LD R60P variant in the apo state | Descriptor: | Protein FimH, SULFATE ION | Authors: | Jakob, R.P, Rabbani, S, Ernst, B, Maier, T. | Deposit date: | 2016-11-09 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | Conformational switch of the bacterial adhesin FimH in the absence of the regulatory domain: Engineering a minimalistic allosteric system. J. Biol. Chem., 293, 2018
|
|
5MUC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5muc by Molmil](/molmil-images/mine/5muc) | Crystal structure of the FimH lectin domain in complex with 1,5-Anhydromannitol | Descriptor: | 1-deoxy-alpha-D-mannopyranose, Protein FimH | Authors: | Jakob, R.P, Rabbani, S, Ernst, B, Maier, T. | Deposit date: | 2017-01-13 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | KinITC-One Method Supports both Thermodynamic and Kinetic SARs as Exemplified on FimH Antagonists. Chemistry, 24, 2018
|
|
7AYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ayn by Molmil](/molmil-images/mine/7ayn) | Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate | Descriptor: | 1,2-ETHANEDIOL, Type 1 fimbrin D-mannose specific adhesin, methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate | Authors: | Jakob, R.P, Tomasic, T, Rabbani, S, Reisner, A, Jakopin, Z, Maier, T, Ernst, B, Anderluh, M. | Deposit date: | 2020-11-12 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Does targeting Arg98 of FimH lead to high affinity antagonists? Eur.J.Med.Chem., 211, 2020
|
|
7AQS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7aqs by Molmil](/molmil-images/mine/7aqs) | Crystal structure of E. coli DPS in space group P1 | Descriptor: | DNA protection during starvation protein, FE (III) ION | Authors: | Jakob, R.P, Pipercevic, J, Righetto, R, Goldie, K, Stahlberg, H, Maier, T, Hiller, S. | Deposit date: | 2020-10-22 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification of a Dps contamination in Mitomycin-C-induced expression of Colicin Ia. Biochim Biophys Acta Biomembr, 1863, 2021
|
|
3DGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dgs by Molmil](/molmil-images/mine/3dgs) | |
7P1C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p1c by Molmil](/molmil-images/mine/7p1c) | Crystal structure of E.coli BamA beta-barrel in complex with darobactin B | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Outer membrane protein assembly factor BamA, TRP-ASN-UX8-THR-LYS-ARG-PHE | Authors: | Jakob, R.P, Modaresi, S.M, Hiller, S, Maier, T. | Deposit date: | 2021-07-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutasynthetic Production and Antimicrobial Characterization of Darobactin Analogs. Microbiol Spectr, 9, 2021
|
|
8CPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cpq by Molmil](/molmil-images/mine/8cpq) | |
7R1V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r1v by Molmil](/molmil-images/mine/7r1v) | |
7R1W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r1w by Molmil](/molmil-images/mine/7r1w) | E. coli BAM complex (BamABCDE) bound to dynobactin A | Descriptor: | Dynobactin A, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Jakob, R.P, Hiller, S, Maier, T. | Deposit date: | 2022-02-03 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Computational identification of a systemic antibiotic for gram-negative bacteria. Nat Microbiol, 7, 2022
|
|
5CGB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cgb by Molmil](/molmil-images/mine/5cgb) | Crystal structure of FimH in complex with heptyl alpha-D-septanoside | Descriptor: | (6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol, Protein FimH, SULFATE ION | Authors: | Jakob, R.P, Preston, R.P, Zihlmann, P, Fiege, B, Sager, C.P, Vannam, R, Rabbani, S, Zalewski, A, Maier, T, Ernst, B, Peczuh, M. | Deposit date: | 2015-07-09 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The price of flexibility - a case study on septanoses as pyranose mimetics. Chem Sci, 9, 2018
|
|
3KNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3knq by Molmil](/molmil-images/mine/3knq) | |
4WO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wo7 by Molmil](/molmil-images/mine/4wo7) | |
7NL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nl6 by Molmil](/molmil-images/mine/7nl6) | Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | Descriptor: | CALCIUM ION, DC-SIGN, CRD domain, ... | Authors: | Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T. | Deposit date: | 2021-02-22 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2. J.Am.Chem.Soc., 143, 2021
|
|
7NL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nl7 by Molmil](/molmil-images/mine/7nl7) | Crystal Structure of DC-SIGN in complex with a triazole-based glycomimetic ligand | Descriptor: | 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside, CALCIUM ION, DC-SIGN, ... | Authors: | Jakob, R.P, Cramer, J, Lakkaichi, A, Aliu, B, Cattaneo, I, Klein, S, Jiang, X, Rabbani, S, Schwardt, O, Ernst, B, Maier, T. | Deposit date: | 2021-02-22 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Sweet Drugs for Bad Bugs: A Glycomimetic Strategy against the DC-SIGN-Mediated Dissemination of SARS-CoV-2. J.Am.Chem.Soc., 143, 2021
|
|
7NRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nrf by Molmil](/molmil-images/mine/7nrf) | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 2) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | Deposit date: | 2021-03-03 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
|
|
7NRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nre by Molmil](/molmil-images/mine/7nre) | Crystal structure of E.coli BamA beta-barrel in complex with darobactin (crystal form 1) | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Darobactin, MAGNESIUM ION, ... | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | Deposit date: | 2021-03-03 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
|
|
7NRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nri by Molmil](/molmil-images/mine/7nri) | Structure of the darobactin-bound E. coli BAM complex (BamABCDE) | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | Authors: | Jakob, R.P, Kaur, H, Marzinek, J.K, Green, R, Imai, Y, Bolla, J, Robinson, C, Bond, P.J, Lewis, K, Maier, T, Hiller, S. | Deposit date: | 2021-03-03 | Release date: | 2021-04-21 | Last modified: | 2021-05-19 | Method: | ELECTRON MICROSCOPY (3.03 Å) | Cite: | The antibiotic darobactin mimics a beta-strand to inhibit outer membrane insertase. Nature, 593, 2021
|
|
4EO1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eo1 by Molmil](/molmil-images/mine/4eo1) | crystal structure of the TolA binding domain from the filamentous phage IKe | Descriptor: | Attachment protein G3P, MAGNESIUM ION | Authors: | Jakob, R.P, Geitner, A.J, Weininger, U, Balbach, J, Dobbek, H, Schmid, F.X. | Deposit date: | 2012-04-13 | Release date: | 2012-05-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and energetic basis of infection by the filamentous bacteriophage IKe. Mol.Microbiol., 84, 2012
|
|
4EO0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eo0 by Molmil](/molmil-images/mine/4eo0) | crystal structure of the pilus binding domain of the filamentous phage IKe | Descriptor: | Attachment protein G3P | Authors: | Jakob, R.P, Geitner, A.J, Weininger, U, Balbach, J, Dobbek, H, Schmid, F.X. | Deposit date: | 2012-04-13 | Release date: | 2012-05-30 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural and energetic basis of infection by the filamentous bacteriophage IKe. Mol.Microbiol., 84, 2012
|
|
4BZA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bza by Molmil](/molmil-images/mine/4bza) | Crystal structure of TamA POTRA domains 1-3 from E. coli | Descriptor: | 1,2-ETHANEDIOL, TRANSLOCATION AND ASSEMBLY MODULE TAMA | Authors: | Jakob, R.P, Gruss, F, Zaehringer, F, Burmann, B.M, Hiller, S, Maier, T. | Deposit date: | 2013-07-24 | Release date: | 2013-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.839 Å) | Cite: | The Structural Basis of Autotransporter Translocation by Tama Nat.Struct.Mol.Biol., 20, 2013
|
|
4CW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cw5 by Molmil](/molmil-images/mine/4cw5) | |
5HQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hqw by Molmil](/molmil-images/mine/5hqw) | Crystal structure of a trans-AT PKS dehydratase domain of C0ZGQ6 from Brevibacillus brevis | Descriptor: | MAGNESIUM ION, Putative polyketide synthase | Authors: | Jakob, R.P, Hauswirth, P, Dilmi, J, Herbst, D.A, Maier, T. | Deposit date: | 2016-01-22 | Release date: | 2017-01-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal Structures of Dehydratase Domains from trans AT Polyketide Biosynthetic Pathway. To Be Published
|
|
5HST
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hst by Molmil](/molmil-images/mine/5hst) | |
5IL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5il6 by Molmil](/molmil-images/mine/5il6) | |