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8Q1S
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BU of 8q1s by Molmil
Pathogenic mutations of human phosphorylation sites affect protein-protein interactions
Descriptor: 1,2-ETHANEDIOL, 14-3-3 protein epsilon, BROMIDE ION, ...
Authors:Roske, Y, Daumke, O, Rrustemi, T, Selbach, M.
Deposit date:2023-08-01
Release date:2024-02-21
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Pathogenic mutations of human phosphorylation sites affect protein-protein interactions
To Be Published
8AIF
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BU of 8aif by Molmil
TapA acts as specific chaperone in TasA non-amyloid filament formation
Descriptor: 1,2-ETHANEDIOL, NITRATE ION, YqxM protein required for localization of TasA to extracellular matrix
Authors:Roske, Y, Heinemann, U.
Deposit date:2022-07-26
Release date:2023-04-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:TapA acts as specific chaperone in TasA filament formation by strand complementation.
Proc.Natl.Acad.Sci.USA, 120, 2023
1PMJ
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BU of 1pmj by Molmil
Crystal structure of Caldicellulosiruptor saccharolyticus CBM27-1
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ...
Authors:Roske, Y, Sunna, A, Heinemann, U.
Deposit date:2003-06-11
Release date:2004-06-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution crystal structures of Caldicellulosiruptor strain Rt8B.4 carbohydrate-binding module CBM27-1 and its complex with mannohexaose.
J.Mol.Biol., 340, 2004
1PMH
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BU of 1pmh by Molmil
Crystal structure of Caldicellulosiruptor saccharolyticus CBM27-1 in complex with mannohexaose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, beta-1,4-mannanase, ...
Authors:Roske, Y, Sunna, A, Heinemann, U.
Deposit date:2003-06-11
Release date:2004-06-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:High-resolution crystal structures of Caldicellulosiruptor strain Rt8B.4 carbohydrate-binding module CBM27-1 and its complex with mannohexaose.
J.Mol.Biol., 340, 2004
8Q1X
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BU of 8q1x by Molmil
Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, ...
Authors:Roske, Y, Daumke, O, Damme, M.
Deposit date:2023-08-01
Release date:2023-12-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation.
Nucleic Acids Res., 52, 2024
8Q1K
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BU of 8q1k by Molmil
Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, ...
Authors:Roske, Y, Daumke, O, Damme, M.
Deposit date:2023-07-31
Release date:2023-12-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation.
Nucleic Acids Res., 52, 2024
6ZBQ
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BU of 6zbq by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 5-fluoranyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZBZ
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BU of 6zbz by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 1,2-ETHANEDIOL, 2-[(3,4-dimethylphenyl)sulfonylamino]-5-fluoranyl-benzoic acid, Dishevelled, ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC7
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BU of 6zc7 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC6
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BU of 6zc6 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-2-(naphthalen-2-ylsulfonylamino)benzoic acid, Segment polarity protein dishevelled homolog DVL-3
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC3
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BU of 6zc3 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 1,2-ETHANEDIOL, 5-fluoranyl-2-(methylsulfonylamino)benzoic acid, Dishevelled, ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC8
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BU of 6zc8 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid, Segment polarity protein dishevelled homolog DVL-3
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-10
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6ZC4
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BU of 6zc4 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
Descriptor: 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid, Dishevelled, dsh homolog 3 (Drosophila), ...
Authors:Roske, Y, Heinemann, U, Oschkinat, H.
Deposit date:2020-06-09
Release date:2021-06-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
6HQC
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BU of 6hqc by Molmil
Structural investigation of the TasA anchoring protein TapA from Bacillus subtilis
Descriptor: 1,2-ETHANEDIOL, TasA anchoring/assembly protein
Authors:Roske, Y, Heinemann, U.
Deposit date:2018-09-24
Release date:2019-10-09
Last modified:2023-04-26
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:TapA acts as specific chaperone in TasA filament formation by strand complementation.
Proc.Natl.Acad.Sci.USA, 120, 2023
5IFW
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BU of 5ifw by Molmil
Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL that disrupts functional p97 hexamers and induces cell death
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Tether containing UBX domain for GLUT4, Transitional endoplasmic reticulum ATPase
Authors:Roske, Y, Heinemann, U.
Deposit date:2016-02-26
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Nat Commun, 7, 2016
5IFS
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BU of 5ifs by Molmil
Quantitative interaction mapping reveals an extended ubiquitin regulatory domain in ASPL that disrupts functional p97 hexamers and induces cell death
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
Authors:Roske, Y, Arumughan, A, Heinemann, U, Wanker, E.
Deposit date:2016-02-26
Release date:2016-10-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers.
Nat Commun, 7, 2016
6F7K
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BU of 6f7k by Molmil
Crystal structure of Dettilon tailspike protein (gp208)
Descriptor: 1,2-ETHANEDIOL, Tailspike, alpha-D-galactopyranose-(1-6)-beta-D-mannopyranose-(1-4)-alpha-L-rhamnopyranose-(1-3)-alpha-D-galactopyranose, ...
Authors:Roske, Y, Heinemann, U.
Deposit date:2017-12-11
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Time-resolved DNA release from an O-antigen-specificSalmonellabacteriophage with a contractile tail.
J.Biol.Chem., 294, 2019
6F7D
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BU of 6f7d by Molmil
Crystal structure of Dettilon tailspike protein (gp208)
Descriptor: 1,2-ETHANEDIOL, Tailspike
Authors:Roske, Y, Heinemann, U.
Deposit date:2017-12-08
Release date:2018-12-19
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.634 Å)
Cite:Time-resolved DNA release from an O-antigen-specificSalmonellabacteriophage with a contractile tail.
J.Biol.Chem., 294, 2019
6GVR
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BU of 6gvr by Molmil
TAILSPIKE PROTEIN MUTANT E372Q (DELTA N471/S472) OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH PENTASACCHARIDE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Roske, Y, Gohlke, U.
Deposit date:2018-06-21
Release date:2018-07-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
J. Am. Chem. Soc., 140, 2018
6GVP
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BU of 6gvp by Molmil
TAILSPIKE PROTEIN MUTANT E372Q (DELTA N471/S472) OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH HEXASACCHARIDE
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Roske, Y, Gohlke, U.
Deposit date:2018-06-21
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site.
J. Am. Chem. Soc., 140, 2018
6XYD
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BU of 6xyd by Molmil
Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi
Descriptor: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
Authors:Roske, Y, Heinemann, U, Andrea, E.D.
Deposit date:2020-01-30
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 211, 2020
6XYB
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BU of 6xyb by Molmil
Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi
Descriptor: CHLORIDE ION, IODIDE ION, MAGNESIUM ION, ...
Authors:Roske, Y, Heinemann, U.
Deposit date:2020-01-30
Release date:2020-06-10
Last modified:2020-07-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi.
J.Struct.Biol., 211, 2020
5OF1
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BU of 5of1 by Molmil
The structural versatility of TasA in B. subtilis biofilm formation
Descriptor: 2-HYDROXYBENZOIC ACID, Spore coat-associated protein N, ethane-1,2-diol
Authors:Roske, Y, Diehl, A, Ball, L, Chowdhury, A, Hiller, M, Moliere, N, Kramer, R, Nagaraj, M, Stoeppler, D, Worth, C.L, Schlegel, B, Leidert, M, Cremer, N, Eisenmenger, F, Lopez, D, Schmieder, P, Heinemann, U, Turgay, K, Akbey, U, Oschkinat, H.
Deposit date:2017-07-10
Release date:2018-03-21
Last modified:2018-04-11
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural changes of TasA in biofilm formation ofBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OF2
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BU of 5of2 by Molmil
The structural versatility of TasA in B. subtilis biofilm formation
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Spore coat-associated protein N
Authors:Roske, Y, Diehl, A, Ball, L, Chowdhury, A, Hiller, M, Moliere, N, Kramer, R, Nagaraj, M, Stoeppler, D, Worth, C.L, Schlegel, B, Leidert, M, Cremer, N, Eisenmenger, F, Lopez, D, Schmieder, P, Heinemann, U, Turgay, K, Akbey, U, Oschkinat, H.
Deposit date:2017-07-10
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural changes of TasA in biofilm formation ofBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7YX9
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BU of 7yx9 by Molmil
MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange
Descriptor: 1,2-ETHANEDIOL, CLIP 103-107, HLA class II histocompatibility antigen, ...
Authors:Roske, Y, Abualrous, E.T.
Deposit date:2022-02-15
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange.
Nat.Chem.Biol., 19, 2023

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