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Structure of G9a SET-domain with Histone H3K9M peptide and excess SAH
分子名称:	Histone H3K9M mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者	Jayaram, H, Bellon, S.F, Poy, F.
登録日	2016-04-22
公開日	2016-07-06
最終更新日	2023-09-27
実験手法	X-RAY DIFFRACTION (1.72 Å)
主引用文献	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

G-925 bound to the SMARCA4 (BRG1) Bromodomain
分子名称:	2-(6-amino-5-phenylpyridazin-3-yl)phenol, Isoform 4 of Transcription activator BRG1
著者	Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F.
登録日	2021-12-20
公開日	2022-08-17
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.16 Å)
主引用文献	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

G-059 bound to the SMARCA4 (BRG1) Bromodomain
分子名称:	4-phenyl-5H-pyridazino[4,3-b]indol-3-amine, Isoform 4 of Transcription activator BRG1
著者	Tang, Y, Poy, F, Taylor, A.M, Cochran, A.G, Bellon, S.F.
登録日	2021-12-30
公開日	2022-08-17
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.61 Å)
主引用文献	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

Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-090 and CoA
分子名称:	3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole, COENZYME A, Histone acetyltransferase p300
著者	Gardberg, A.S.
登録日	2019-06-21
公開日	2019-10-23
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.32 Å)
主引用文献	Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT. Struct Dyn., 6, 2019

6PGU

Crystal structure of the p300 acetyltransferase domain with allosteric inhibitor CPI-076 and CoA
分子名称:	COENZYME A, Histone acetyltransferase p300, N-(thiophen-2-yl)acetamide
著者	Gardberg, A.S, Poy, F, Setser, J.
登録日	2019-06-24
公開日	2019-10-23
最終更新日	2024-05-22
実験手法	X-RAY DIFFRACTION (1.72 Å)
主引用文献	Make the right measurement: Discovery of an allosteric inhibition site for p300-HAT. Struct Dyn., 6, 2019

2LI1

Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
分子名称:	2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
著者	Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
登録日	2011-08-18
公開日	2012-04-04
最終更新日	2024-11-06
実験手法	SOLUTION NMR
主引用文献	Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012

2LHW

Tri-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
分子名称:	2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
著者	Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
登録日	2011-08-18
公開日	2012-04-04
最終更新日	2024-11-06
実験手法	SOLUTION NMR
主引用文献	Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012

2LI2

Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
分子名称:	2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
著者	Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
登録日	2011-08-18
公開日	2012-04-04
最終更新日	2023-06-14
実験手法	SOLUTION NMR
主引用文献	Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012

2LHZ

Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
分子名称:	2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
著者	Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
登録日	2011-08-18
公開日	2012-04-04
最終更新日	2023-06-14
実験手法	SOLUTION NMR
主引用文献	Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012

2LHV

Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
分子名称:	MUC2 Mucin Domain Peptide
著者	Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
登録日	2011-08-18
公開日	2012-04-04
最終更新日	2024-10-30
実験手法	SOLUTION NMR
主引用文献	Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012

2LI0

Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
分子名称:	2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
著者	Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
登録日	2011-08-18
公開日	2012-04-04
最終更新日	2024-10-09
実験手法	SOLUTION NMR
主引用文献	Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012

2LHY

Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
分子名称:	2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
著者	Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
登録日	2011-08-18
公開日	2012-04-04
最終更新日	2024-10-16
実験手法	SOLUTION NMR
主引用文献	Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012

2LHX

Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
分子名称:	2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide
著者	Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D.
登録日	2011-08-18
公開日	2012-04-04
最終更新日	2023-06-14
実験手法	SOLUTION NMR
主引用文献	Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012

2GFW

Structure of wild type E. coli FabF (KASII)
分子名称:	3-oxoacyl-[acyl-carrier-protein] synthase 2
著者	Soisson, S.M, Parthasarathy, G.
登録日	2006-03-23
公開日	2006-05-23
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	Platensimycin is a selective FabF inhibitor with potent antibiotic properties. Nature, 441, 2006

2GFX

Structure of E. coli FabF(C163Q) in complex with Platensimycin
分子名称:	3-oxoacyl-[acyl-carrier-protein] synthase 2, PLATENSIMYCIN
著者	Soisson, S.M, Parthasarathy, G.
登録日	2006-03-23
公開日	2006-05-23
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.59 Å)
主引用文献	Platensimycin is a selective FabF inhibitor with potent antibiotic properties. Nature, 441, 2006

2GFY

Structure of E. coli FabF(K335A) mutant with covalently linked dodecanoic acid
分子名称:	3-oxoacyl-[acyl-carrier-protein] synthase 2, LAURIC ACID
著者	Soisson, S.M, Parthasarathy, G.
登録日	2006-03-23
公開日	2006-05-23
最終更新日	2024-10-09
実験手法	X-RAY DIFFRACTION (2.85 Å)
主引用文献	Platensimycin is a selective FabF inhibitor with potent antibiotic properties. Nature, 441, 2006

2GFV

Structure of E. coli FabF (KASII) C163Q mutant
分子名称:	3-oxoacyl-[acyl-carrier-protein] synthase 2
著者	Soisson, S.M, Parthasarathy, G.
登録日	2006-03-23
公開日	2006-05-23
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.29 Å)
主引用文献	Platensimycin is a selective FabF inhibitor with potent antibiotic properties. Nature, 441, 2006

6DF4

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)
分子名称:	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
著者	Murray, J.M, Tang, Y.
登録日	2018-05-14
公開日	2018-10-31
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (1.3 Å)
主引用文献	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

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)
分子名称:	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
著者	Murray, J.M.
登録日	2018-05-14
公開日	2018-11-14
最終更新日	2023-10-11
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	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

Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 12
分子名称:	(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, ...
著者	Gardberg, A.S.
登録日	2019-12-12
公開日	2020-04-01
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (2.04 Å)
主引用文献	Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. Chemmedchem, 15, 2020

6V8K

Crystal structure of the p300 acetyltransferase domain with peptide-competitive inhibitor 2
分子名称:	1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethan-1-one, COENZYME A, DIMETHYL SULFOXIDE, ...
著者	Gardberg, A.S.
登録日	2019-12-11
公開日	2020-04-01
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (1.84 Å)
主引用文献	Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. Chemmedchem, 15, 2020

6V8B

Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 1
分子名称:	4-(2-{[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]amino}ethyl)benzene-1-sulfonamide, CHLORIDE ION, Histone acetyltransferase p300, ...
著者	Gardberg, A.S.
登録日	2019-12-10
公開日	2020-04-01
最終更新日	2024-04-03
実験手法	X-RAY DIFFRACTION (3.13 Å)
主引用文献	Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. Chemmedchem, 15, 2020

6V8N

Crystal structure of the p300 acetyltransferase domain with AcCoA competitive inhibitor 17
分子名称:	(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, ...
著者	Gardberg, A.S, Wilson, J.E.
登録日	2019-12-11
公開日	2020-04-01
最終更新日	2024-10-30
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Early Drug-Discovery Efforts towards the Identification of EP300/CBP Histone Acetyltransferase (HAT) Inhibitors. Chemmedchem, 15, 2020

2RJT

Crystal Structure Analysis of a Surface Entropy Reduction Mutant of S. pneumoniae FabF
分子名称:	Beta-ketoacyl-ACP synthase II
著者	Soisson, S.M, Parthasarathy, G, Becker, J.
登録日	2007-10-15
公開日	2008-01-22
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.75 Å)
主引用文献	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

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)
分子名称:	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, ...
著者	Murray, J.M, Huang, W.
登録日	2016-07-12
公開日	2016-11-02
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (1.14 Å)
主引用文献	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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