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7NRE
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BU of 7nre by Molmil
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
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BU of 7nri by Molmil
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
4XO9
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BU of 4xo9 by Molmil
Crystal structure of a FimH*DsG complex from E.coli K12 in space group C2
Descriptor: Minor component of type 1 fimbriae, Protein FimH
Authors:Jakob, R.P, Eras, J, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XO8
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BU of 4xo8 by Molmil
Crystal structure of the FimH lectin domain from E.coli K12 in complex with heptyl alpha-D-mannopyrannoside
Descriptor: Protein FimH, heptyl alpha-D-mannopyranoside
Authors:Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XOD
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BU of 4xod by Molmil
Crystal structure of a FimH*DsG complex from E.coli F18
Descriptor: FimG protein, FimH protein
Authors:Jakob, R.P, Sauer, M.M, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XOC
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BU of 4xoc by Molmil
Crystal structure of the FimH lectin domain from E.coli F18 in complex with heptyl alpha-D-mannopyrannoside
Descriptor: FimH protein, heptyl alpha-D-mannopyranoside
Authors:Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XOB
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BU of 4xob by Molmil
Crystal structure of a FimH*DsF complex from E.coli K12 with bound heptyl alpha-D-mannopyrannoside
Descriptor: FimF, Protein FimH, SULFATE ION, ...
Authors:Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XOE
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BU of 4xoe by Molmil
Crystal structure of a FimH*DsG complex from E.coli F18 with bound heptyl alpha-D-mannopyrannoside
Descriptor: CACODYLATE ION, FimG protein, FimH protein, ...
Authors:Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4XOA
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BU of 4xoa by Molmil
Crystal structure of a FimH*DsG complex from E.coli K12 in space group P1
Descriptor: FimG, Protein FimH
Authors:Jakob, R.P, Eras, J, Glockshuber, R, Maier, T.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
5CGB
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BU of 5cgb by Molmil
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
5MCA
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BU of 5mca by Molmil
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
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BU of 5muc by Molmil
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
8AS4
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BU of 8as4 by Molmil
Crystal structure of human beta-arrestin-1
Descriptor: Beta-arrestin-1
Authors:Jakob, R.P, Panwalkar, V, Grzesiek, S.
Deposit date:2022-08-18
Release date:2023-06-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A key GPCR phosphorylation motif discovered in arrestin2⋅CCR5 phosphopeptide complexes.
Mol.Cell, 83, 2023
4BZA
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BU of 4bza by Molmil
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
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BU of 4cw5 by Molmil
Crystal structure of the enoyl reductase domain of DfnA from Bacillus amyloliquefaciens
Descriptor: DFNA, FLAVIN MONONUCLEOTIDE
Authors:Jakob, R.P, Buhkari, H.S.T, Maier, T.
Deposit date:2014-04-01
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evolutionary Origins of the Multienzyme Architecture of Giant Fungal Fatty Acid Synthase.
Structure, 22, 2014
5I7P
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BU of 5i7p by Molmil
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
5I7Q
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BU of 5i7q by Molmil
Crystal structure of Fkbp12-IF(SlpA), a chimeric protein of human Fkbp12 and the insert in flap domain of Ecoli SlpA
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A,FKBP-type 16 kDa peptidyl-prolyl cis-trans isomerase,Peptidyl-prolyl cis-trans isomerase FKBP1A
Authors:Jakob, R.P, Dobbek, H, Schmid, F.X.
Deposit date:2016-02-18
Release date:2017-03-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Analysis of Chaperone Domain Insertion in Fkbp12
To Be Published
5L4W
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BU of 5l4w by Molmil
Crystal structure of FimH lectin domain in complex with 3-Fluoro-Heptylmannoside
Descriptor: Protein FimH, heptyl 3-fluoro-alpha-D-mannopyranoside
Authors:Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B.
Deposit date:2016-05-26
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
5L4X
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BU of 5l4x by Molmil
Crystal structure of FimH lectin domain in complex with 4-Deoxy-Heptylmannoside
Descriptor: Protein FimH, heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside
Authors:Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B.
Deposit date:2016-05-26
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
5L4U
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BU of 5l4u by Molmil
Crystal structure of FimH lectin domain in complex with 2-Fluoro-Heptylmannoside
Descriptor: Protein FimH, heptyl 2-fluoro-alpha-D-mannopyranoside
Authors:Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B.
Deposit date:2016-05-26
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
5L4Y
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BU of 5l4y by Molmil
Crystal structure of FimH lectin domain in complex with 4-Fluoro-Heptylmannoside
Descriptor: Protein FimH, heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside
Authors:Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B.
Deposit date:2016-05-26
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
5L4T
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BU of 5l4t by Molmil
Crystal structure of FimH lectin domain in complex with 2-Deoxy-Heptylmannoside
Descriptor: Protein FimH, heptyl 2-deoxy-alpha-D-mannopyranoside
Authors:Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B.
Deposit date:2016-05-26
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
5L4V
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BU of 5l4v by Molmil
Crystal structure of FimH lectin domain in complex with 3-Deoxy-Heptylmannoside
Descriptor: Protein FimH, heptyl 3-deoxy-alpha-D-mannopyranoside
Authors:Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, T.
Deposit date:2016-05-26
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
6EYK
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BU of 6eyk by Molmil
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
6EYJ
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BU of 6eyj by Molmil
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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