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6EYI
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BU of 6eyi by Molmil
E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669
分子名称: (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, ...
著者Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T.
登録日2017-11-13
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献E-selectin lectin with different glycomimetic ligands
To Be Published
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
6FP8
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mTFP1/DARPin 1238_E11 complex in space group C2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, DARPin1238_E11, ...
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 (1.855 Å)
主引用文献DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
6FPB
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BU of 6fpb by Molmil
Crystal structure of anti-mTFP1 DARPin 1238_G01 in space group I4
分子名称: CHLORIDE ION, 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 (1.617 Å)
主引用文献DARPins recognizing mTFP1 as novel reagents forin vitroandin vivoprotein manipulations.
Biol Open, 7, 2018
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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BU of 6g2r by Molmil
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
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
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
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
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
6FP9
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BU of 6fp9 by Molmil
Crystal structure of anti-mTFP1 DARPin 1238_E11
分子名称: 1,2-ETHANEDIOL, DARPin 1238_E11, SULFATE ION
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 (2.1 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
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
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
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
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
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
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
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
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
8BP6
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BU of 8bp6 by Molmil
Structure of MHC-class I related molecule MR1 with bound M3Ade
分子名称: (1R,5S)-8-(9H-purin-6-yl)-2-oxa-8-azabicyclo[3.3.1]nona-3,6-diene-4,6-dicarbaldehyde, Beta-2-microglobulin,Major histocompatibility complex class I-related gene protein
著者Berloffa, G, Jakob, R.P, Maier, T.
登録日2022-11-16
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The carbonyl nucleoside adduct M3Ade stabilizes MR1 and activates MR1-restricted self- and tumor-reactive T cells
To Be Published
8QQ3
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BU of 8qq3 by Molmil
Streptavidin with a Ni-cofactor
分子名称: 4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide, NICKEL (II) ION, Streptavidin
著者Zhang, K, Jakob, R.P, Ward, T.R.
登録日2023-10-03
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An artificial nickel chlorinase based on the biotin-streptavidin technology.
Chem.Commun.(Camb.), 60, 2024

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