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5D26
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BU of 5d26 by Molmil
First bromodomain of BRD4 bound to inhibitor XD28
Descriptor: (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-05
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 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
5D25
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BU of 5d25 by Molmil
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
5D3S
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BU of 5d3s by Molmil
First bromodomain of BRD4 bound to inhibitor XD44
Descriptor: (R,R)-2,3-BUTANEDIOL, 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ...
Authors:Wohlwend, D, Huegle, M.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 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
5D24
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BU of 5d24 by Molmil
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
5D3H
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BU of 5d3h by Molmil
First bromodomain of BRD4 bound to inhibitor XD29
Descriptor: Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide
Authors:Wohlwend, D, Huegle, M, Weitzel, G.
Deposit date:2015-08-06
Release date:2016-01-20
Last modified:2024-05-01
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
5LLF
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BU of 5llf by Molmil
Structure of Polyphosphate Kinase 2 mutant D117N from Francisella tularensis with polyphosphate
Descriptor: CHLORIDE ION, PHOSPHATE ION, Polyphosphate kinase 2, ...
Authors:Roach, P.L, Parnell, A.E.
Deposit date:2016-07-27
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5LPJ
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BU of 5lpj by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1
Descriptor: CREB-binding protein, ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LPK
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BU of 5lpk by Molmil
Crystal structure of the bromodomain of human EP300 bound to the inhibitor XDM1
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase p300, SULFATE ION, ...
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LPM
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BU of 5lpm by Molmil
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
5LL0
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BU of 5ll0 by Molmil
Structure of Polyphosphate Kinase 2 from Francisella tularensis SCHU S4 with polyphosphate
Descriptor: Polyphosphate kinase 2, bis[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
Authors:Roach, P.L, Parnell, A.E.
Deposit date:2016-07-25
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5LPL
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BU of 5lpl by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c
Descriptor: CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Wohlwend, D, Huegle, M.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
5LLB
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BU of 5llb by Molmil
Structure of Polyphosphate Kinase 2 from Francisella tularensis with AMPPCH2PPP and polyphosphate
Descriptor: CHLORIDE ION, MAGNESIUM ION, Polyphosphate kinase 2, ...
Authors:Roach, P.L, Parnell, A.E.
Deposit date:2016-07-27
Release date:2017-10-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Substrate recognition and mechanism revealed by ligand-bound polyphosphate kinase 2 structures.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5NRW
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BU of 5nrw by Molmil
Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM4
Descriptor: 1,2-ETHANEDIOL, 4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide, CREB-binding protein
Authors:Huegle, M, Wohlwend, D.
Deposit date:2017-04-25
Release date:2017-08-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
3U99
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BU of 3u99 by Molmil
The experimental X-ray structure of the new diheme cytochrome type c from Shewanella baltica OS155 sb-DHC
Descriptor: Diheme cytochrome c, HEME C
Authors:De March, M, Di Rocco, G, Geremia, S.
Deposit date:2011-10-18
Release date:2012-10-31
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.146 Å)
Cite:High-resolution crystal structure of the recombinant diheme cytochrome c from Shewanella baltica (OS155).
J.Biomol.Struct.Dyn., 33, 2015

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