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PDB: 115 件

6G2S
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BU of 6g2s by Molmil
Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside
分子名称: (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
著者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.
登録日2018-03-23
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
6G2R
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Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside
分子名称: 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, ...
著者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.
登録日2018-03-23
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
6GU0
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BU of 6gu0 by Molmil
Crystal structure of a FimH*DsG complex from E.coli F18 with bound dimannoside Man(alpha1-3)Man in space group P213
分子名称: FimG protein, FimH protein, SULFATE ION, ...
著者Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R.
登録日2018-06-19
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets.
J.Am.Chem.Soc., 141, 2019
6GTX
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BU of 6gtx by Molmil
Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-2)Man
分子名称: SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, alpha-D-mannopyranose-(1-2)-methyl alpha-D-mannopyranoside
著者Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R.
登録日2018-06-19
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets.
J.Am.Chem.Soc., 141, 2019
6GTY
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BU of 6gty by Molmil
Crystal structure of the FimH lectin domain from E.coli K12 in complex with the dimannoside Man(alpha1-6)Man
分子名称: Type 1 fimbrin D-mannose specific adhesin, alpha-D-mannopyranose-(1-6)-methyl alpha-D-mannopyranoside
著者Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R.
登録日2018-06-19
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets.
J.Am.Chem.Soc., 141, 2019
6FP7
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BU of 6fp7 by Molmil
mTFP1/DARPin 1238_E11 complex in space group P6522
分子名称: DARPin1238_E11, GFP-like fluorescent chromoprotein cFP484, GLYCEROL
著者Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T.
登録日2018-02-09
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.576 Å)
主引用文献DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
6GTZ
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BU of 6gtz by Molmil
Crystal structure of a FimH*DsG complex from E.coli F18 with bound dimannoside Man(alpha1-3)Man in space group P21
分子名称: FimG protein, FimH protein, alpha-D-mannopyranose-(1-3)-methyl alpha-D-mannopyranoside
著者Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R.
登録日2018-06-19
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.719 Å)
主引用文献Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets.
J.Am.Chem.Soc., 141, 2019
6GTW
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BU of 6gtw by Molmil
Crystal structure of the FimH lectin domain from E.coli F18 in complex with trimannose
分子名称: CALCIUM ION, FimH protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose
著者Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R.
登録日2018-06-19
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets.
J.Am.Chem.Soc., 141, 2019
6GTV
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BU of 6gtv by Molmil
Crystal structure of a FimH*DsG complex from E.coli F18 with bound trimannose
分子名称: DI(HYDROXYETHYL)ETHER, FimG protein, FimH protein, ...
著者Jakob, R.P, Sauer, M.M, Luber, T, Canonica, F, Navarra, G, Ernst, B, Unverzagt, C, Maier, T, Glockshuber, R.
登録日2018-06-19
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Binding of the Bacterial Adhesin FimH to Its Natural, Multivalent High-Mannose Type Glycan Targets.
J.Am.Chem.Soc., 141, 2019
6FPA
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BU of 6fpa by Molmil
Crystal structure of anti-mTFP1 DARPin 1238_G01 in space group P212121
分子名称: DARPin 1238_G01
著者Jakob, R.P, Vigano, M.A, Bieli, D, Matsuda, S, Schaefer, J.V, Pluckthun, A, Affolter, M, Maier, T.
登録日2018-02-09
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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
分子名称: FimG, Protein FimH
著者Jakob, R.P, Eras, J, Glockshuber, R, Maier, T.
登録日2015-01-16
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献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
分子名称: CACODYLATE ION, FimG protein, FimH protein, ...
著者Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T.
登録日2015-01-16
公開日2016-01-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
4Z3I
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BU of 4z3i by Molmil
Crystal structure of the lectin domain of PapG from E. coli BI47 in spacegroup P21212
分子名称: PapG, lectin domain
著者Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B.
登録日2015-03-31
公開日2016-04-13
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献An unexpected way nature improves solvation entropy
To Be Published
4Z3G
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BU of 4z3g by Molmil
Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with 4-methoxyphenyl beta-D-galabiose in space group P212121
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methoxyphenol, PapG, ...
著者Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B.
登録日2015-03-31
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献An unexpected way nature improves solvation entropy
To Be Published
4Z3H
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BU of 4z3h by Molmil
Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with 4-methoxyphenyl beta-D-galabiose in space group P21
分子名称: 4-methoxyphenol, PapG, lectin domain, ...
著者Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B.
登録日2015-03-31
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An unexpected way nature improves solvation entropy
To Be Published
4Z3F
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BU of 4z3f by Molmil
Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P21
分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PapG, lectin domain, ...
著者Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B.
登録日2015-03-31
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An unexpected way nature improves solvation entropy
To Be Published
4Z38
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BU of 4z38 by Molmil
Crystal structure of enoyl reductase domain of MlnA from the macrolactin biosynthesis cluster from Bacillus amyloliquefaciens
分子名称: FLAVIN MONONUCLEOTIDE, MlnA
著者Jakob, R.P, Martin, S.F, Herbst, D.A, Maier, T.
登録日2015-03-31
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The structural organization of trans-AT polyketide synthases: ketoacyl synthase and trans-acting enoyl reductase
To Be Published
4Z3J
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BU of 4z3j by Molmil
Crystal structure of the lectin domain of PapG from E. coli BI47 in space group P1
分子名称: PapG, lectin domain
著者Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B.
登録日2015-03-31
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An unexpected way nature improves solvation entropy
To Be Published
4Z3E
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BU of 4z3e by Molmil
Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P212121
分子名称: PapG, lectin domain, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B.
登録日2015-03-31
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity.
Chembiochem, 18, 2017
5BP1
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BU of 5bp1 by Molmil
Condensing di-domain (KS-AT) of a mycocerosic acid synthase-like (MAS-like) PKS
分子名称: Mycocerosic acid synthase
著者Jakob, R.P, Herbst, D.A, Zaehringer, F, Maier, T.
登録日2015-05-27
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Mycocerosic acid synthase exemplifies the architecture of reducing polyketide synthases.
Nature, 531, 2016
6HP2
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BU of 6hp2 by Molmil
Crystal Structure of the O-Methyltransferase from the trans-AT PKS multienzyme C0ZGQ3 of Brevibacillus brevis in complex with S-Adenosyl-L-homocysteine
分子名称: Putative polyketide synthase, S-ADENOSYL-L-HOMOCYSTEINE
著者Jakob, R.P, Felber, P, Demyanenko, Y, Delbart, F, Maier, T.
登録日2018-09-19
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Analysis of an O-Methyltransferase from the trans-AT PKS biosynthesis pathway
To Be Published
5MCA
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BU of 5mca by Molmil
Crystal structure of FimH-LD R60P variant in the apo state
分子名称: Protein FimH, SULFATE ION
著者Jakob, R.P, Rabbani, S, Ernst, B, Maier, T.
登録日2016-11-09
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献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
分子名称: 1-deoxy-alpha-D-mannopyranose, Protein FimH
著者Jakob, R.P, Rabbani, S, Ernst, B, Maier, T.
登録日2017-01-13
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献KinITC-One Method Supports both Thermodynamic and Kinetic SARs as Exemplified on FimH Antagonists.
Chemistry, 24, 2018
5OOW
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BU of 5oow by Molmil
Crystal structure of lobe II from the nucleotide binding domain of DnaK in complex with AMPPCP
分子名称: Chaperone protein DnaK, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Jakob, R.P, Bauer, D, Meinhold, S, Stigler, J, Merkel, U, Maier, T, Rief, M, Zoldak, G.
登録日2017-08-09
公開日2018-04-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A folding nucleus and minimal ATP binding domain of Hsp70 identified by single-molecule force spectroscopy.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6ZPN
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BU of 6zpn by Molmil
Crystal structure of Chaetomium thermophilum Raptor
分子名称: WD_REPEATS_REGION domain-containing protein
著者Imseng, S, Boehm, R, Jakob, R.P, Hall, M.N, Hiller, S, Maier, T.
登録日2020-07-08
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The dynamic mechanism of 4E-BP1 recognition and phosphorylation by mTORC1.
Mol.Cell, 81, 2021

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