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PDB: 859 results
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
1A4R
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BU of 1a4r by Molmil
G12V MUTANT OF HUMAN PLACENTAL CDC42 GTPASE IN THE GDP FORM
Descriptor: AMINOPHOSPHONIC ACID-GUANYLATE ESTER, G25K GTP-BINDING PROTEIN, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Rudolph, M.G, Vetter, I.R, Wittinghofer, A.
Deposit date:1998-02-02
Release date:1999-03-02
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nucleotide binding to the G12V-mutant of Cdc42 investigated by X-ray diffraction and fluorescence spectroscopy: two different nucleotide states in one crystal.
Protein Sci., 8, 1999
5QU8
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BU of 5qu8 by Molmil
Crystal Structure of symmetric swapped human Nck SH3.1 domain, 0.93A, orthorhombic form IV
Descriptor: Cytoplasmic protein NCK1, SODIUM ION
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU3
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BU of 5qu3 by Molmil
Crystal Structure of domain swapped human Nck SH3.1, 1.01A, monoclinic
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QUA
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BU of 5qua by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.5A, C2221
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU2
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BU of 5qu2 by Molmil
Crystal Structure of human Nck SH3.1 in complex with peptide PPPVPNPDY
Descriptor: ACE-PRO-PRO-PRO-VAL-PRO-ASN-PRO-ASP-TYR-NH2, Cytoplasmic protein NCK1, SULFATE ION
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU7
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BU of 5qu7 by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.3A, orthorhombic form III
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU4
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BU of 5qu4 by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.05A, orthorhombic form I
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
5QU6
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BU of 5qu6 by Molmil
Crystal Structure of swapped human Nck SH3.1 domain, 1.8A, triclinic
Descriptor: Cytoplasmic protein NCK1
Authors:Rudolph, M.G.
Deposit date:2019-12-13
Release date:2020-02-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain.
J.Biol.Chem., 295, 2020
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
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
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
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
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
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
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
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
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
2GXS
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BU of 2gxs by Molmil
HERA N-terminal domain in complex with AMP, crystal form 2
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Rudolph, M.G, Klostermeier, D.
Deposit date:2006-05-09
Release date:2006-08-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal Structure and Nucleotide Binding of the Thermus thermophilus RNA Helicase Hera N-terminal Domain.
J.Mol.Biol., 351, 2006

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