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PDB: 124 results

5LPM
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Crystal structure of the bromodomain of human Ep300 bound to the inhibitor XDM3d
Descriptor: 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
Authors:Huegle, M, Wohlwend, D, Gerhardt, S.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LC9
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Structure of Polyphosphate Kinase from Meiothermus ruber Apo-form
Descriptor: PHOSPHATE ION, Polyphosphate:AMP phosphotransferase, SULFATE ION
Authors:Kemper, F, Einsle, O, Gerhardt, S.
Deposit date:2016-06-20
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8PFH
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Crystal structure of the yeast septin complex Shs1-Cdc12-Cdc3-Cdc10
Descriptor: CDC10 isoform 1, CDC12 isoform 1, Cell division control protein 3, ...
Authors:Grupp, B, Denkhaus, L, Gerhardt, S, Gronemeyer, T.
Deposit date:2023-06-16
Release date:2023-12-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:The structure of a tetrameric septin complex reveals a hydrophobic element essential for NC-interface integrity.
Commun Biol, 7, 2024
1PKV
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BU of 1pkv by Molmil
The N-terminal domain of riboflavin synthase in complex with riboflavin
Descriptor: RIBOFLAVIN, Riboflavin synthase alpha chain
Authors:Meining, W, Eberhardt, S, Bacher, A, Ladenstein, R.
Deposit date:2003-06-06
Release date:2004-06-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The structure of the N-terminal domain of riboflavin synthase in complex with riboflavin at 2.6A resolution.
J.Mol.Biol., 331, 2003
4IXC
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BU of 4ixc by Molmil
Crystal structure of Human Glucokinase in complex with a small molecule activator.
Descriptor: (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, ...
Authors:Ogg, D.J, Hargreaves, D, Gerhardt, S.
Deposit date:2013-01-25
Release date:2013-04-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content
To be Published
1P0K
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IPP:DMAPP isomerase type II apo structure
Descriptor: Isopentenyl-diphosphate delta-isomerase, PHOSPHATE ION
Authors:Steinbacher, S, Kaiser, J, Gerhardt, S, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F.
Deposit date:2003-04-10
Release date:2003-06-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the Type II Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase from Bacillus subtilis
J.Mol.Biol., 329, 2003
1P0N
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IPP:DMAPP isomerase type II, FMN complex
Descriptor: FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase
Authors:Steinbacher, S, Kaiser, J, Gerhardt, S, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F.
Deposit date:2003-04-10
Release date:2003-06-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Type II Isopentenyl Diphosphate:Dimethylallyl Diphosphate Isomerase from Bacillus subtilis
J.Mol.Biol., 329, 2003
5O6M
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Structure of Polyphosphate Kinase from Meiothermus ruber N121D bound to ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, Polyphosphate:AMP phosphotransferase
Authors:Kemper, F, Gerhardt, S, Einsle, O.
Deposit date:2017-06-06
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4L4Q
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Methionine Adenosyltransferase
Descriptor: S-adenosylmethionine synthase
Authors:Schlesier, J, Siegrist, J, Gerhardt, S, Andexer, J.N, Einsle, O.
Deposit date:2013-06-09
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional characterisation of the methionine adenosyltransferase from Thermococcus kodakarensis.
Bmc Struct.Biol., 13, 2013
5O6K
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Structure of Polyphosphate Kinase from Meiothermus ruber N121D
Descriptor: DIPHOSPHATE, PHOSPHATE ION, Polyphosphate:AMP phosphotransferase
Authors:Kemper, F, Gerhardt, S, Einsle, O.
Deposit date:2017-06-06
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2XQB
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Crystal Structure of anti-IL-15 Antibody in Complex with human IL-15
Descriptor: ANTI-IL-15 ANTIBODY, INTERLEUKIN 15, SULFATE ION
Authors:Lowe, D.C, Gerhardt, S, Ward, A, Hargreaves, D, Anderson, M, StGallay, S, Vousden, K, Ferraro, F, Pauptit, R.A, Cochrane, D, Pattison, D.V, Buchanan, C, Popovic, B, Finch, D.K, Wilkinson, T, Sleeman, M, Vaughan, T.J, Cruwys, S, Mallinder, P.R.
Deposit date:2010-09-01
Release date:2010-12-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering a High Affinity Anti-Il-15 Antibody: Crystal Structure Reveals an Alpha-Helix in Vh Cdr3 as Key Component of Paratope.
J.Mol.Biol., 406, 2011
5D25
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First bromodomain of BRD4 bound to inhibitor XD27
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ...
Authors:Wohlwend, D, Huegle, M, Gerhardt, S.
Deposit date:2015-08-05
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
4LYW
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BU of 4lyw by Molmil
Crystal Structure of BRD4(1) bound to inhibitor XD14
Descriptor: 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Gerhardt, S, Einsle, O.
Deposit date:2013-07-31
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide
Authors:Wohlwend, D, Gerhardt, S, Einsle, O, Huegle, M.
Deposit date:2013-08-01
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
4LZS
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BU of 4lzs by Molmil
Crystal Structure of BRD4(1) bound to inhibitor XD46
Descriptor: 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Huegle, M, Einsle, O, Gerhardt, S.
Deposit date:2013-08-01
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
5D24
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First bromodomain of BRD4 bound to inhibitor XD26
Descriptor: 1,2-ETHANEDIOL, 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
Authors:Wohlwend, D, Huegle, M, Gerhardt, S.
Deposit date:2015-08-05
Release date:2016-01-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE
Authors:Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O.
Deposit date:2009-09-11
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009
4LYS
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BU of 4lys by Molmil
Crystal Structure of BRD4(1) bound to Colchiceine
Descriptor: 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
Authors:Wohlwend, D, Gerhardt, S, Einsle, O.
Deposit date:2013-07-31
Release date:2014-01-15
Last modified:2014-01-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.
Angew.Chem.Int.Ed.Engl., 52, 2013
1HZE
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BU of 1hze by Molmil
SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF RIBOFLAVIN SYNTHASE FROM E. COLI
Descriptor: RIBOFLAVIN, RIBOFLAVIN SYNTHASE ALPHA CHAIN
Authors:Truffault, V, Coles, M, Diercks, T, Abelmann, K, Eberhardt, S, Luettgen, H, Bacher, A, Kessler, H.
Deposit date:2001-01-24
Release date:2001-09-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The solution structure of the N-terminal domain of riboflavin synthase.
J.Mol.Biol., 309, 2001
1I18
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BU of 1i18 by Molmil
SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF RIBOFLAVIN SYNTHASE FROM E. COLI
Descriptor: RIBOFLAVIN, RIBOFLAVIN SYNTHASE ALPHA CHAIN
Authors:Truffault, V, Coles, M, Diercks, T, Abelmann, K, Eberhardt, S, Luettgen, H, Bacher, A, Kessler, H.
Deposit date:2001-01-31
Release date:2001-09-05
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The solution structure of the N-terminal domain of riboflavin synthase.
J.Mol.Biol., 309, 2001
5AR1
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Crystal structure of Cdc11 from Saccharomyces cerevisiae
Descriptor: CELL DIVISION CONTROL PROTEIN 11
Authors:Brausemann, A, Gerhardt, S, Schott, A.K, Einsle, O, Grosse-Berkenbusch, A, Johnsson, N, Gronemeyer, T.
Deposit date:2015-09-23
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structure of Cdc11, a Septin Subunit from Saccharomyces Cerevisiae.
J.Struct.Biol., 193, 2016
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
Descriptor: 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
Authors:Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M.
Deposit date:2005-06-30
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.75 Å)
Cite: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
Descriptor: 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE, 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
Authors:Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M.
Deposit date:2005-06-30
Release date:2005-07-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of charge transfer complex formation by riboflavin bound to 6,7-dimethyl-8-ribityllumazine synthase
Eur.J.Biochem., 271, 2004
2A58
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Structure of 6,7-Dimethyl-8-ribityllumazine synthase from Schizosaccharomyces pombe mutant W27Y with bound riboflavin
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION, RIBOFLAVIN
Authors:Koch, M, Breithaupt, C, Gerhardt, S, Haase, I, Weber, S, Cushman, M, Huber, R, Bacher, A, Fischer, M.
Deposit date:2005-06-30
Release date:2005-07-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of charge transfer complex formation by riboflavin bound to 6,7-dimethyl-8-ribityllumazine synthase
Eur.J.Biochem., 271, 2004
3JSZ
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Legionella pneumophila glucosyltransferase Lgt1 N293A with UDP-Glc
Descriptor: MAGNESIUM ION, Putative uncharacterized protein, URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Lu, W, Du, J, Belyi, Y, Stahl, M, Zivilikidis, T, Gerhardt, S, Aktories, K, Einsle, O.
Deposit date:2009-09-11
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of the Action of Glucosyltransferase Lgt1 from Legionella pneumophila.
J.Mol.Biol., 2009

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