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PDB: 124 件

1U43
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IspF with 4-diphosphocytidyl-2c-methyl-D-erythritol 2-phosphate
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 2-PHOSPHATE
著者Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F.
登録日2004-07-23
公開日2004-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase Involved in Mevalonate Independent Biosynthesis of Isoprenoids
J.Mol.Biol., 316, 2002
5AFW
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Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 1, ...
著者Metzger, E, Willmann, D, McMillan, J, Petroll, K, Metzger, P, Gerhardt, S, vonMaessenhausen, A, Schott, A.K, Espejo, A, Eberlin, A, Wohlwend, D, Schuele, K.M, Schleicher, M, Perner, S, Bedford, M.T, Dengjel, J, Flaig, R, Einsle, O, Schuele, R.
登録日2015-01-26
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Assembly of Methylated Kdm1A and Chd1 Drives Androgen Receptor-Dependent Transcription and Translocation.
Nat.Struct.Mol.Biol., 23, 2016
1JY8
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2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF)
分子名称: 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, ...
著者Steinbacher, S, Kaiser, J, Wungsintaweekul, J, Hecht, S, Eisenreich, W, Gerhardt, S, Bacher, A, Rohdich, F.
登録日2001-09-11
公開日2002-01-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of 2C-methyl-d-erythritol-2,4-cyclodiphosphate synthase involved in mevalonate-independent biosynthesis of isoprenoids.
J.Mol.Biol., 316, 2002
2A58
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Structure of 6,7-Dimethyl-8-ribityllumazine synthase from Schizosaccharomyces pombe mutant W27Y with bound riboflavin
分子名称: 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION, RIBOFLAVIN
著者Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M.
登録日2005-06-30
公開日2005-07-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of charge transfer complex formation by riboflavin bound to 6,7-dimethyl-8-ribityllumazine synthase
Eur.J.Biochem., 271, 2004
2A57
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Structure of 6,7-Dimthyl-8-ribityllumazine synthase from Schizosaccharomyces pombe mutant W27Y with bound ligand 6-carboxyethyl-7-oxo-8-ribityllumazine
分子名称: 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
著者Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M.
登録日2005-06-30
公開日2005-07-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis of charge transfer complex formation by riboflavin bound to 6,7-dimethyl-8-ribityllumazine synthase
Eur.J.Biochem., 271, 2004
2A59
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Structure of 6,7-Dimethyl-8-ribityllumazine synthase from Schizosaccharomyces pombe mutant W27Y with bound ligand 5-nitroso-6-ribitylamino-2,4(1H,3H)-pyrimidinedione
分子名称: 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
著者Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M.
登録日2005-06-30
公開日2005-07-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of charge transfer complex formation by riboflavin bound to 6,7-dimethyl-8-ribityllumazine synthase
Eur.J.Biochem., 271, 2004
5LC9
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Structure of Polyphosphate Kinase from Meiothermus ruber Apo-form
分子名称: PHOSPHATE ION, Polyphosphate:AMP phosphotransferase, SULFATE ION
著者Kemper, F, Einsle, O, Gerhardt, S.
登録日2016-06-20
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5LPM
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Crystal structure of the bromodomain of human Ep300 bound to the inhibitor XDM3d
分子名称: ACETATE ION, Histone acetyltransferase p300, ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide
著者Huegle, M, Wohlwend, D, Gerhardt, S.
登録日2016-08-13
公開日2017-08-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
4IWV
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Crystals structure of Human Glucokinase in complex with small molecule activator
分子名称: (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
著者Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M.
登録日2013-01-24
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485
To be Published
4LYS
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BU of 4lys by Molmil
Crystal Structure of BRD4(1) bound to Colchiceine
分子名称: Bromodomain-containing protein 4, N-[(7S)-10-hydroxy-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide, SODIUM ION
著者Wohlwend, D, Gerhardt, S, Einsle, O.
登録日2013-07-31
公開日2014-01-15
最終更新日2014-01-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4L4Q
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Methionine Adenosyltransferase
分子名称: S-adenosylmethionine synthase
著者Schlesier, J, Siegrist, J, Gerhardt, S, Andexer, J.N, Einsle, O.
登録日2013-06-09
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional characterisation of the methionine adenosyltransferase from Thermococcus kodakarensis.
Bmc Struct.Biol., 13, 2013
4LYW
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Crystal Structure of BRD4(1) bound to inhibitor XD14
分子名称: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Gerhardt, S, Einsle, O.
登録日2013-07-31
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4LZR
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Crystal Structure of BRD4(1) bound to Colchicine
分子名称: Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
著者Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
5O6M
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Structure of Polyphosphate Kinase from Meiothermus ruber N121D bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, Polyphosphate:AMP phosphotransferase
著者Kemper, F, Gerhardt, S, Einsle, O.
登録日2017-06-06
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4LZS
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Crystal Structure of BRD4(1) bound to inhibitor XD46
分子名称: 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S.
登録日2013-08-01
公開日2014-01-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
8PFH
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Crystal structure of the yeast septin complex Shs1-Cdc12-Cdc3-Cdc10
分子名称: CDC10 isoform 1, CDC12 isoform 1, Cell division control protein 3, ...
著者Grupp, B, Denkhaus, L, Gerhardt, S, Gronemeyer, T.
登録日2023-06-16
公開日2023-12-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献The structure of a tetrameric septin complex reveals a hydrophobic element essential for NC-interface integrity.
Commun Biol, 7, 2024
5O6K
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Structure of Polyphosphate Kinase from Meiothermus ruber N121D
分子名称: DIPHOSPHATE, PHOSPHATE ION, Polyphosphate:AMP phosphotransferase
著者Kemper, F, Gerhardt, S, Einsle, O.
登録日2017-06-06
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6Q93
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MgADP-bound Fe protein of Vanadium nitrogenase from Azotobacter vinelandii
分子名称: ADENOSINE-5'-DIPHOSPHATE, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Rohde, M, Gerhardt, S, Einsle, O.
登録日2018-12-17
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of VnfH, the iron protein component of vanadium nitrogenase.
J. Biol. Inorg. Chem., 23, 2018
4IXC
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Crystal structure of Human Glucokinase in complex with a small molecule activator.
分子名称: (2S)-2-{[1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-methylpyridin-2-yl)-3-(propan-2-yloxy)propanamide, Glucokinase isoform 3, SODIUM ION, ...
著者Ogg, D.J, Hargreaves, D, Gerhardt, S.
登録日2013-01-25
公開日2013-04-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
5D25
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First bromodomain of BRD4 bound to inhibitor XD27
分子名称: (R,R)-2,3-BUTANEDIOL, 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ...
著者Wohlwend, D, Huegle, M, Gerhardt, S.
登録日2015-08-05
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D24
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First bromodomain of BRD4 bound to inhibitor XD26
分子名称: 1,2-ETHANEDIOL, 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M, Gerhardt, S.
登録日2015-08-05
公開日2016-01-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
3JT1
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BU of 3jt1 by Molmil
Legionella pneumophila glucosyltransferase Lgt1, UDP-bound form
分子名称: Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE
著者Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O.
登録日2009-09-11
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
3JSZ
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Legionella pneumophila glucosyltransferase Lgt1 N293A with UDP-Glc
分子名称: MAGNESIUM ION, Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE-GLUCOSE
著者Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O.
登録日2009-09-11
公開日2010-02-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
5G4K
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Phloroglucinol reductase from Clostridium sp. apo-form
分子名称: OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN
著者Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M.
登録日2016-05-13
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
5G4L
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Phloroglucinol reductase from Clostridium sp. with bound NADPH
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN
著者Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M.
登録日2016-05-13
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016

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件を2024-09-04に公開中

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