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5FH1
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BU of 5fh1 by Molmil
The structure of rat cytosolic PEPCK variant E89D in complex with GTP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-12-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
5FH0
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BU of 5fh0 by Molmil
The structure of rat cytosolic PEPCK variant E89A complex with GTP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
5FH4
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BU of 5fh4 by Molmil
The structure of rat cytosolic PEPCK variant E89D in complex with beta-sulfopyruvate and GTP
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
5FH2
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BU of 5fh2 by Molmil
The structure of rat cytosolic PEPCK variant E89Q in complex with GTP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
5FH3
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BU of 5fh3 by Molmil
The structure of rat cytosolic PEPCK variant E89A in complex with oxalic acid and GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, OXALATE ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
5FH5
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BU of 5fh5 by Molmil
The structure of rat cytosolic PEPCK variant E89Q in complex with phosphoglycolate and GDP
分子名称: 2-PHOSPHOGLYCOLIC ACID, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
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)
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
5KTX
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BU of 5ktx by Molmil
CREBBP 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, CREB-binding protein, ...
著者Murray, J.M, Noland, C.
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 (1.27 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
5KTW
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BU of 5ktw by Molmil
CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide)
分子名称: 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein
著者Murray, J.M, Boenig, G.
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 (1.087 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
5KTU
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BU of 5ktu by Molmil
Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
分子名称: 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-07-12
公開日2016-11-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.38 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
5LKX
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BU of 5lkx by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A.
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ...
著者Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
登録日2016-07-25
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
5LKT
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BU of 5lkt by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with butyryl-coenzyme A.
分子名称: Butyryl Coenzyme A, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
登録日2016-07-24
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
5LKZ
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BU of 5lkz by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with crotonyl-coenzyme A.
分子名称: CROTONYL COENZYME A, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ...
著者Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
登録日2016-07-25
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
5LKU
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BU of 5lku by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with coenzyme A.
分子名称: COENZYME A, Histone acetyltransferase p300,Histone acetyltransferase p300, ZINC ION
著者Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
登録日2016-07-25
公開日2016-11-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
5L1Z
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BU of 5l1z by Molmil
TAR complex with HIV-1 Tat-AFF4-P-TEFb
分子名称: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
著者Schulze-Gahmen, U, Hurley, J.
登録日2016-07-29
公開日2016-10-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (5.9 Å)
主引用文献Insights into HIV-1 proviral transcription from integrative structure and dynamics of the Tat:AFF4:P-TEFb:TAR complex.
Elife, 5, 2016
5SVZ
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BU of 5svz by Molmil
HIV-1 Tat NLS in complex with importin alpha
分子名称: Importin subunit alpha-1, Tat
著者Smith, K.M, Himiari, Z, Forwood, J.K.
登録日2016-08-08
公開日2016-08-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Importin-alpha Binding of the Human Immunodeficiency Virus Tat.
Sci Rep, 7, 2017
4YK0
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BU of 4yk0 by Molmil
Crystal structure of the CBP bromodomain in complex with CPI098
分子名称: (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
著者Bellon, S.F, Jayaram, H.
登録日2015-03-03
公開日2016-04-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
5I83
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BU of 5i83 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986
分子名称: (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein, THIOCYANATE ION
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5I89
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BU of 5i89 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790
分子名称: (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ...
著者Setser, J.W, Poy, F, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5I8B
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BU of 5i8b by Molmil
CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5218 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5I8G
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BU of 5i8g by Molmil
CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
分子名称: (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Murray, J.M.
登録日2016-02-18
公開日2016-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
5DBM
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BU of 5dbm by Molmil
Crystal structure of the CBP bromodomain in complex with CPI703
分子名称: (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein
著者Setser, J.W, Poy, F, Bellon, S.F.
登録日2015-08-21
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
5I86
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BU of 5i86 by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174
分子名称: (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide, 1,2-ETHANEDIOL, CREB-binding protein, ...
著者Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
登録日2016-02-18
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).
Acs Med.Chem.Lett., 7, 2016
4YWD
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BU of 4ywd by Molmil
Structure of rat cytosolic pepck in complex with 2,3-Pyridine dicarboxylic acid
分子名称: MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase, cytosolic [GTP], ...
著者Balan, M.D, Johnson, T.A, Mcleod, M.J, Lotosky, W.R, Holyoak, T.
登録日2015-03-20
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid.
Biochemistry, 54, 2015
4YW8
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BU of 4yw8 by Molmil
Structure of rat cytosolic pepck in complex with 3-mercaptopicolinic acid
分子名称: 1,2-ETHANEDIOL, 3-sulfanylpyridine-2-carboxylic acid, MANGANESE (II) ION, ...
著者Balan, M.D, Johnson, T.A, Mcleod, M.J, Lotosky, W.R, Holyoak, T.
登録日2015-03-20
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Inhibition and Allosteric Regulation of Monomeric Phosphoenolpyruvate Carboxykinase by 3-Mercaptopicolinic Acid.
Biochemistry, 54, 2015

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件を2024-05-22に公開中

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