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PDB: 859 件
3OIY
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Helicase domain of reverse gyrase from Thermotoga maritima
分子名称: CHLORIDE ION, PYROPHOSPHATE 2-, reverse gyrase helicase domain
著者Rudolph, M.G, Klostermeier, D.
登録日2010-08-20
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献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
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
分子名称: (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
著者Rudolph, M.G.
登録日2010-08-27
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
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
分子名称: 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
著者Rudolph, M.G.
登録日2010-08-25
公開日2010-12-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
Bioorg.Med.Chem.Lett., 21, 2010
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
分子名称: 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
著者Rudolph, M.G.
登録日2010-08-26
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
3OOF
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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
分子名称: 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
著者Rudolph, M.G.
登録日2010-08-31
公開日2011-01-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献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
分子名称: reverse gyrase helicase domain
著者Rudolph, M.G, Klostermeier, D.
登録日2010-10-07
公開日2011-06-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Conformational Flexibility of the Helicase-like Domain from Thermotoga maritima Reverse Gyrase Is Restricted by the Topoisomerase Domain.
Biochemistry, 50, 2011
4KBG
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almost closed conformation of the helicase core of the RNA helicase Hera
分子名称: Heat resistant RNA dependent ATPase, SULFATE ION
著者Rudolph, M.G, Klostermeier, D.
登録日2013-04-23
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Rearranging RNA structures at 75C? toward the molecular mechanism and physiological function of the thermus thermophilus DEAD-box helicase hera.
Biopolymers, 99, 2013
1I9E
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TCR DOMAIN
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOTOXIC TCELL VALPHA DOMAIN
著者Rudolph, M.G, Huang, M, Teyton, L, Wilson, I.A.
登録日2001-03-19
公開日2001-12-05
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of an isolated V(alpha) domain of the 2C T-cell receptor.
J.Mol.Biol., 314, 2001
1KJV
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TAP-B-associated rat MHC class I molecule
分子名称: Mature alpha chain of major histocompatibility complex class I antigen (HEAVY CHAIN), SULFATE ION, beta-2-microglobulin, ...
著者Rudolph, M.G, Stevens, J, Speir, J.A, Trowsdale, J, Butcher, G.W, Joly, E, Wilson, I.A.
登録日2001-12-05
公開日2002-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structures of two rat MHC class Ia (RT1-A) molecules that are associated differentially with peptide transporter alleles TAP-A and TAP-B.
J.Mol.Biol., 324, 2002
1KPV
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High resolution crystal structure of the MHC class I complex H-2Kb/SEV9
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 class I histocompatibility antigen, ...
著者Rudolph, M.G, Wilson, I.A.
登録日2002-01-02
公開日2003-06-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献High Resolution Crystal Structure of H-2Kb/VSV8
To be Published
1KPU
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High resolution crystal structure of the MHC class I complex H-2Kb/VSV8
分子名称: (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, ...
著者Rudolph, M.G, Wilson, I.A.
登録日2002-01-02
公開日2003-06-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High Resolution Crystal Structure of H-2Kb/VSV8
To be Published
1KJM
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TAP-A-associated rat MHC class I molecule
分子名称: B6 Peptide, RT1 class I histocompatibility antigen, AA alpha chain, ...
著者Rudolph, M.G, Stevens, J, Speir, J.A, Trowsdale, J, Butcher, G.W, Joly, E, Wilson, I.A.
登録日2001-12-04
公開日2002-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structures of two rat MHC class Ia (RT1-A) molecules that are associated differentially with peptide transporter alleles TAP-A and TAP-B.
J.Mol.Biol., 324, 2002
4KBF
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BU of 4kbf by Molmil
two different open conformations of the helicase core of the RNA helicase Hera
分子名称: ADENOSINE MONOPHOSPHATE, Heat resistant RNA dependent ATPase, SODIUM ION, ...
著者Rudolph, M.G, Klostermeier, D.
登録日2013-04-23
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rearranging RNA structures at 75C? toward the molecular mechanism and physiological function of the thermus thermophilus DEAD-box helicase hera.
Biopolymers, 99, 2013
1L2H
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BU of 1l2h by Molmil
Crystal structure of Interleukin 1-beta F42W/W120F mutant
分子名称: Interleukin 1-beta
著者Rudolph, M.G, Kelker, M.S, Schneider, T.R, Yeates, T.O, Oseroff, V, Heidary, D.K, Jennings, P.A, Wilson, I.A.
登録日2002-02-21
公開日2003-02-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Use of multiple anomalous dispersion to phase highly merohedrally twinned crystals of interleukin-1beta.
Acta Crystallogr.,Sect.D, 59, 2003
4EYW
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BU of 4eyw by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with 1-[(R)-2-(3,4-Dihydro-1H-isoquinoline-2-carbonyl)-piperidin-1-yl]-2-phenoxy-ethanone
分子名称: 1-[(2R)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)piperidin-1-yl]-2-phenoxyethanone, Carnitine O-palmitoyltransferase 2, mitochondrial, ...
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Rufer, A, Joseph, C.
登録日2012-05-02
公開日2013-04-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献Isothermal titration calorimetry with micelles: Thermodynamics of inhibitor binding to carnitine palmitoyltransferase 2 membrane protein.
FEBS Open Bio, 3, 2013
5Q0M
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BU of 5q0m by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0W
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BU of 5q0w by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid, Bile acid receptor, cDNA FLJ76652, ...
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q12
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Ligand binding to FARNESOID-X-RECEPTOR
分子名称: 2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q1G
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Ligand binding to FARNESOID-X-RECEPTOR
分子名称: (2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0O
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Ligand binding to FARNESOID-X-RECEPTOR
分子名称: (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide, Bile acid receptor, CHLORIDE ION, ...
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q14
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Ligand binding to FARNESOID-X-RECEPTOR
分子名称: 4-{(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylethoxy}-3-fluorobenzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q1E
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Ligand binding to FARNESOID-X-RECEPTOR
分子名称: 5-bromo-1-{[4-(1H-tetrazol-5-yl)phenyl]methyl}-1'-(thiophene-2-sulfonyl)spiro[indole-3,4'-piperidin]-2(1H)-one, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0U
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BU of 5q0u by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, trans-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)cyclohexyl hydrogen sulfate
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q1C
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BU of 5q1c by Molmil
Ligand binding to FARNESOID-X-RECEPTOR
分子名称: (2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018
5Q0N
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Ligand binding to FARNESOID-X-RECEPTOR
分子名称: 3-chloro-4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3
著者Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K.
登録日2017-05-31
公開日2017-07-05
最終更新日2021-11-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32, 2018

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