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1KPU
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BU of 1kpu by Molmil
High resolution crystal structure of the MHC class I complex H-2Kb/VSV8
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rudolph, M.G, Wilson, I.A.
Deposit date:2002-01-02
Release date:2003-06-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High Resolution Crystal Structure of H-2Kb/VSV8
To be Published
3LLL
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BU of 3lll by Molmil
Crystal structure of mouse pacsin2 F-BAR domain
Descriptor: CALCIUM ION, CHLORIDE ION, Protein kinase C and casein kinase substrate in neurons protein 2, ...
Authors:Rudolph, M.G.
Deposit date:2010-01-29
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A hinge in the distal end of the PACSIN 2 F-BAR domain may contribute to membrane-curvature sensing.
J.Mol.Biol., 400, 2010
4WG0
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BU of 4wg0 by Molmil
Crystal structure of a tridecameric superhelix
Descriptor: CHOLIC ACID, Nuclear receptor coactivator 2, SULFATE ION
Authors:Rudolph, M.G, Uson, I, Schoch, G.
Deposit date:2014-09-17
Release date:2015-01-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of a 13-fold superhelix (almost) determined from first principles.
Iucrj, 2, 2015
4I68
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BU of 4i68 by Molmil
Crystal structure of the R444A / R449A double mutant of the HERA RNA helicase RRM domain
Descriptor: CHLORIDE ION, Heat resistant RNA dependent ATPase, ZINC ION
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2012-11-29
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Recognition of two distinct elements in the RNA substrate by the RNA-binding domain of the T. thermophilus DEAD box helicase Hera.
Nucleic Acids Res., 41, 2013
4I67
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BU of 4i67 by Molmil
Crystal structure of the RRM domain of RNA helicase HERA from T. thermophilus in complex with GGGC RNA
Descriptor: 5'-R(P*GP*GP*GP*(RPC))-3', Heat resistant RNA dependent ATPase
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2012-11-29
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Recognition of two distinct elements in the RNA substrate by the RNA-binding domain of the T. thermophilus DEAD box helicase Hera.
Nucleic Acids Res., 41, 2013
4I69
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BU of 4i69 by Molmil
Crystal structure of the K463A mutant of the RRM domain of RNA helicase HERA from T. thermophilus
Descriptor: CHLORIDE ION, Heat resistant RNA dependent ATPase
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2012-11-29
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Recognition of two distinct elements in the RNA substrate by the RNA-binding domain of the T. thermophilus DEAD box helicase Hera.
Nucleic Acids Res., 41, 2013
5EDC
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BU of 5edc by Molmil
human FABP4 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid at 1.29A
Descriptor: 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
Authors:Rudolph, M.G, Ehler, A.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
5EDB
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BU of 5edb by Molmil
human fatty acid binding protein 4 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid at 1.18A
Descriptor: 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Rudolph, M.G, Ehler, A.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
2HI8
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BU of 2hi8 by Molmil
human formylglycine generating enzyme, C336S mutant, bromide co-crystallization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, CALCIUM ION, ...
Authors:Rudolph, M.G, Roeser, D.
Deposit date:2006-06-29
Release date:2007-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Probing the oxygen-binding site of the human formylglycine-generating enzyme using halide ions.
Acta Crystallogr.,Sect.D, 63, 2007
2HIB
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BU of 2hib by Molmil
human formylglycine generating enzyme, C336S mutant, iodide co-crystallization
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
Authors:Rudolph, M.G, Roeser, D.
Deposit date:2006-06-29
Release date:2007-05-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Probing the oxygen-binding site of the human formylglycine-generating enzyme using halide ions.
Acta Crystallogr.,Sect.D, 63, 2007
3MWK
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BU of 3mwk by Molmil
Q28E mutant of HERA N-terminal RecA-like domain, complex with 8-oxo-AMP
Descriptor: Heat resistant RNA dependent ATPase, SULFATE ION, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-05-06
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
3NEJ
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BU of 3nej by Molmil
Q28E mutant of Hera RNA helicase N-terminal domain - perfectly twinned hexagonal form
Descriptor: Heat resistant RNA dependent ATPase
Authors:Rudolph, M.G.
Deposit date:2010-06-09
Release date:2011-04-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
3OIY
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BU of 3oiy by Molmil
Helicase domain of reverse gyrase from Thermotoga maritima
Descriptor: CHLORIDE ION, PYROPHOSPHATE 2-, reverse gyrase helicase domain
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-08-20
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The latch modulates nucleotide and DNA binding to the helicase-like domain of Thermotoga maritima reverse gyrase and is required for positive DNA supercoiling.
Nucleic Acids Res., 39, 2011
3P4X
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BU of 3p4x by Molmil
Helicase domain of reverse gyrase from Thermotoga maritima
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-10-07
Release date:2011-06-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The Conformational Flexibility of the Helicase-like Domain from Thermotoga maritima Reverse Gyrase Is Restricted by the Topoisomerase Domain.
Biochemistry, 50, 2011
3OKH
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BU of 3okh by Molmil
Crystal structure of human FXR in complex with 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid
Descriptor: 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-25
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
Bioorg.Med.Chem.Lett., 21, 2010
3OMK
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BU of 3omk by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
Descriptor: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-27
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3MWJ
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BU of 3mwj by Molmil
Q28E mutant of HERA N-terminal RecA-like domain, apo form
Descriptor: Heat resistant RNA dependent ATPase, SULFATE ION
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-05-06
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
3NBF
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BU of 3nbf by Molmil
Q28E mutant of hera helicase N-terminal domain bound to 8-oxo-ADP
Descriptor: Heat resistant RNA dependent ATPase, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-06-03
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
3OOF
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BU of 3oof by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-31
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3P4Y
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BU of 3p4y by Molmil
Helicase domain of reverse gyrase from Thermotoga maritima - P2 form
Descriptor: reverse gyrase helicase domain
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-10-07
Release date:2011-06-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Conformational Flexibility of the Helicase-like Domain from Thermotoga maritima Reverse Gyrase Is Restricted by the Topoisomerase Domain.
Biochemistry, 50, 2011
3MWL
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BU of 3mwl by Molmil
Q28E mutant of HERA N-terminal RecA-like domain in complex with 8-OXOADENOSINE
Descriptor: 6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-8-one, Heat resistant RNA dependent ATPase, SULFATE ION
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2010-05-06
Release date:2011-03-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop.
Biol.Chem., 392, 2011
3OLF
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BU of 3olf by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-26
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3OKI
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BU of 3oki by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
Descriptor: (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-25
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
Bioorg.Med.Chem.Lett., 21, 2010
3OMM
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BU of 3omm by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-27
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3OOK
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BU of 3ook by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-31
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011

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