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5JJ0
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BU of 5jj0 by Molmil
Structure of G9a SET-domain with Histone H3K9M peptide and excess SAH
Descriptor: Histone H3K9M mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Jayaram, H, Bellon, S.F, Poy, F.
Deposit date:2016-04-22
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:S-adenosyl methionine is necessary for inhibition of the methyltransferase G9a by the lysine 9 to methionine mutation on histone H3.
Proc.Natl.Acad.Sci.USA, 113, 2016
7TAB
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BU of 7tab by Molmil
G-925 bound to the SMARCA4 (BRG1) Bromodomain
Descriptor: 2-(6-amino-5-phenylpyridazin-3-yl)phenol, Isoform 4 of Transcription activator BRG1
Authors:Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F.
Deposit date:2021-12-20
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1.
J.Med.Chem., 65, 2022
7TD9
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BU of 7td9 by Molmil
G-059 bound to the SMARCA4 (BRG1) Bromodomain
Descriptor: 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine, Isoform 4 of Transcription activator BRG1
Authors:Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F.
Deposit date:2021-12-30
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1.
J.Med.Chem., 65, 2022
6PF1
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BU of 6pf1 by Molmil
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-090 and CoA
Descriptor: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole, COENZYME A, Histone acetyltransferase p300
Authors:Gardberg, A.S.
Deposit date:2019-06-21
Release date:2019-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Struct Dyn., 6, 2019
6PGU
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BU of 6pgu by Molmil
Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA
Descriptor: COENZYME A, Histone acetyltransferase p300, N-(thiophen-2-yl)acetamide
Authors:Gardberg, A.S, Poy, F, Setser, J.
Deposit date:2019-06-24
Release date:2019-10-23
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT.
Struct Dyn., 6, 2019
2LI1
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BU of 2li1 by Molmil
Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LHW
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BU of 2lhw by Molmil
Tri-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LI2
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BU of 2li2 by Molmil
Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LHZ
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BU of 2lhz by Molmil
Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LHV
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BU of 2lhv by Molmil
Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LI0
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BU of 2li0 by Molmil
Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2024-10-09
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LHY
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BU of 2lhy by Molmil
Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2LHX
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BU of 2lhx by Molmil
Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
Authors:Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
2GFW
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BU of 2gfw by Molmil
Structure of wild type E. coli FabF (KASII)
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
2GFX
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BU of 2gfx by Molmil
Structure of E. coli FabF(C163Q) in complex with Platensimycin
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
2GFY
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BU of 2gfy by Molmil
Structure of E. coli FabF(K335A) mutant with covalently linked dodecanoic acid
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, LAURIC ACID
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
2GFV
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BU of 2gfv by Molmil
Structure of E. coli FabF (KASII) C163Q mutant
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Soisson, S.M, Parthasarathy, G.
Deposit date:2006-03-23
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Platensimycin is a selective FabF inhibitor with potent antibiotic properties.
Nature, 441, 2006
6DF4
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BU of 6df4 by Molmil
TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
Descriptor: 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit
Authors:Murray, J.M, Tang, Y.
Deposit date:2018-05-14
Release date:2018-10-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
J. Med. Chem., 61, 2018
6DF7
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BU of 6df7 by Molmil
TAF1-BD2 in complex with Cpd27 (6-(but-3-en-1-yl)-4-(1-methyl-6-(morpholine-4-carbonyl)-1H-benzo[d]imidazol-4-yl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one)
Descriptor: 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit
Authors:Murray, J.M.
Deposit date:2018-05-14
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like.
J. Med. Chem., 61, 2018
6V90
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BU of 6v90 by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12
Descriptor: (2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-12
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V8K
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BU of 6v8k by Molmil
Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2
Descriptor: 1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V8B
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BU of 6v8b by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 1
Descriptor: 4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S.
Deposit date:2019-12-10
Release date:2020-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
6V8N
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BU of 6v8n by Molmil
Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
Descriptor: (2R)-2-{[(2S)-2-(4-cyanophenyl)propyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide, CHLORIDE ION, Histone acetyltransferase p300, ...
Authors:Gardberg, A.S, Wilson, J.E.
Deposit date:2019-12-11
Release date:2020-04-01
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors.
Chemmedchem, 15, 2020
2RJT
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BU of 2rjt by Molmil
Crystal Structure Analysis of a Surface Entropy Reduction Mutant of S. pneumoniae FabF
Descriptor: Beta-ketoacyl-ACP synthase II
Authors:Soisson, S.M, Parthasarathy, G, Becker, J.
Deposit date:2007-10-15
Release date:2008-01-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Surface-entropy reduction approaches to manipulate crystal forms of beta-ketoacyl acyl carrier protein synthase II from Streptococcus pneumoniae.
Acta Crystallogr.,Sect.D, 64, 2008
5KU3
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BU of 5ku3 by Molmil
BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
Descriptor: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
Authors:Murray, J.M, Huang, W.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016

 

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