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
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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
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8AS4
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8CPQ
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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
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6GTV
 | | Crystal structure of a FimH*DsG complex from E.coli F18 with bound trimannose | | Descriptor: | DI(HYDROXYETHYL)ETHER, FimG protein, FimH protein, ... | | Authors: | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | | Deposit date: | 2018-06-19 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets.
J.Am.Chem.Soc., 141, 2019
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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
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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
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4CW5
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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
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5I7P
 | | Crystal structure of Fkbp12-IF(SlyD), a chimeric protein of human Fkbp12 and the insert in flap domain of Ecoli SlyD | | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A,FKBP-type peptidyl-prolyl cis-trans isomerase SlyD,Peptidyl-prolyl cis-trans isomerase FKBP1A | | Authors: | Jakob, R.P, Knappe, T.A, Dobbek, H, Schmid, F.X. | | Deposit date: | 2016-02-18 | | Release date: | 2017-03-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Structural and Functional Analysis of Chaperone Domain Insertion in Fkbp12
To Be Published
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5BP1
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6EYK
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV355 | | Descriptor: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R},3~{S})-3-methyl-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | | Deposit date: | 2017-11-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | E-selectin lectin with different glycomimetic ligands
To Be Published
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6EYJ
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV354 | | Descriptor: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{R},2~{R})-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | | Deposit date: | 2017-11-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | E-selectin lectin with different glycomimetic ligands
To Be Published
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6EYI
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669 | | Descriptor: | (2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | | Deposit date: | 2017-11-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | E-selectin lectin with different glycomimetic ligands
To Be Published
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6FP7
 | | mTFP1/DARPin 1238_E11 complex in space group P6522 | | Descriptor: | DARPin1238_E11, GFP-like fluorescent chromoprotein cFP484, GLYCEROL | | Authors: | Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T. | | Deposit date: | 2018-02-09 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.576 Å) | | Cite: | DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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6FP8
 | | mTFP1/DARPin 1238_E11 complex in space group C2 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DARPin1238_E11, ... | | Authors: | Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T. | | Deposit date: | 2018-02-09 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.855 Å) | | Cite: | DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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6FPB
 | | Crystal structure of anti-mTFP1 DARPin 1238_G01 in space group I4 | | Descriptor: | CHLORIDE ION, DARPin 1238_G01 | | Authors: | Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T. | | Deposit date: | 2018-02-09 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.617 Å) | | Cite: | DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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6G2S
 | | Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | | Deposit date: | 2018-03-23 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
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6G2R
 | | Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[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]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | | Authors: | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | | Deposit date: | 2018-03-23 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
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6FPA
 | | Crystal structure of anti-mTFP1 DARPin 1238_G01 in space group P212121 | | Descriptor: | DARPin 1238_G01 | | Authors: | Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T. | | Deposit date: | 2018-02-09 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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6GU0
 | | Crystal structure of a FimH*DsG complex from E.coli F18 with bound dimannoside Man(alpha1-3)Man in space group P213 | | Descriptor: | FimG protein, FimH protein, SULFATE ION, ... | | Authors: | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | | Deposit date: | 2018-06-19 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets.
J.Am.Chem.Soc., 141, 2019
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6FP9
 | | Crystal structure of anti-mTFP1 DARPin 1238_E11 | | Descriptor: | 1,2-ETHANEDIOL, DARPin 1238_E11, SULFATE ION | | Authors: | Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T. | | Deposit date: | 2018-02-09 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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6GTX
 | | Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-2)Man | | Descriptor: | SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside | | Authors: | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | | Deposit date: | 2018-06-19 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets.
J.Am.Chem.Soc., 141, 2019
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6GTY
 | | Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-6)Man | | Descriptor: | Type 1 fimbrin D-mannose specific adhesin, alpha-D-mannopyranose-(1-6)-methyl alpha-D-mannopyranoside | | Authors: | Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R. | | Deposit date: | 2018-06-19 | | Release date: | 2019-01-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets.
J.Am.Chem.Soc., 141, 2019
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