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1ASC
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BU of 1asc by Molmil
THE STRUCTURAL BASIS FOR THE REDUCED ACTIVITY OF THE D223A(D222A) ACTIVE SITE MUTANT OF E. COLI ASPARTATE AMINOTRANSFERASE
Descriptor: ASPARTATE AMINOTRANSFERASE, N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5-PHOSPHATE
Authors:Schumacher, C, Ringe, D.
Deposit date:1993-08-27
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structural Basis for the Reduced Activity of the D223A(D222A) Active Site Mutant of E. Coli Aspartate Aminotransferase
To be Published
1ASF
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BU of 1asf by Molmil
THE STRUCTURAL BASIS FOR THE REDUCED ACTIVITY OF THE Y226F(Y225F) ACTIVE SITE MUTANT OF E. COLI ASPARTATE AMINOTRANSFERASE
Descriptor: ASPARTATE AMINOTRANSFERASE, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Schumacher, C, Ringe, D.
Deposit date:1993-08-27
Release date:1994-04-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Structural Basis for the Reduced Activity of the Y226F(Y225F) Active Site Mutant of E. Coli Aspartate Aminotransferase
To be Published
1ASB
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BU of 1asb by Molmil
THE STRUCTURAL BASIS FOR THE REDUCED ACTIVITY OF THE D223A(D222A) ACTIVE SITE MUTANT OF E. COLI ASPARTATE AMINOTRANSFERASE
Descriptor: ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Schumacher, C, Ringe, D.
Deposit date:1993-08-27
Release date:1994-04-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structural Basis for the Reduced Activity of the D223A(D222A) Active Site Mutant of E. Coli Aspartate Aminotransferase
To be Published
1ASG
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BU of 1asg by Molmil
THE STRUCTURAL BASIS FOR THE REDUCED ACTIVITY OF THE Y226F(Y225F) ACTIVE SITE MUTANT OF E. COLI ASPARTATE AMINOTRANSFERASE
Descriptor: ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Schumacher, C, Ringe, D.
Deposit date:1993-08-27
Release date:1994-04-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Structural Basis for the Reduced Activity of the Y226F(Y225F) Active Site Mutant of E. Coli Aspartate Aminotransferase
To be Published
1ASE
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BU of 1ase by Molmil
THE STRUCTURE OF WILD TYPE E. COLI ASPARTATE AMINOTRANSFERASE RECONSTITUTED WITH PLP-N-OXIDE
Descriptor: ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE-N-OXIDE
Authors:Schumacher, C, Ringe, D.
Deposit date:1993-08-27
Release date:1994-04-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Structure of Wild Type E. Coli Aspartate Aminotransferase Reconstituted with Plp-N-Oxide
To be Published
1ASA
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BU of 1asa by Molmil
THE STRUCTURAL BASIS FOR THE REDUCED ACTIVITY OF THE Y226F(Y225F) ACTIVE SITE MUTANT OF E. COLI ASPARTATE AMINOTRANSFERASE
Descriptor: ASPARTATE AMINOTRANSFERASE, MALEIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Schumacher, C, Ringe, D.
Deposit date:1993-08-27
Release date:1994-04-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structural Basis for the Reduced Activity of the Y226F(Y225F) Active Site Mutant of E. Coli Aspartate Aminotransferase
To be Published
1ASD
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BU of 1asd by Molmil
THE STRUCTURE OF WILD TYPE E. COLI ASPARTATE AMINOTRANSFERASE RECONSTITUTED WITH N-MEPLP
Descriptor: ASPARTATE AMINOTRANSFERASE, MALEIC ACID, N-METHYL-PYRIDOXAL-5'-PHOSPHATE
Authors:Schumacher, C, Ringe, D.
Deposit date:1993-08-27
Release date:1994-04-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of Wild Type E. Coli Aspartate Aminotransferase Reconstituted with N-Meplp
To be Published
2I0V
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BU of 2i0v by Molmil
c-FMS tyrosine kinase in complex with a quinolone inhibitor
Descriptor: 6-CHLORO-3-(3-METHYLISOXAZOL-5-YL)-4-PHENYLQUINOLIN-2(1H)-ONE, SULFATE ION, cFMS tyrosine kinase
Authors:Schubert, C, Schalk-Hihi, C.
Deposit date:2006-08-11
Release date:2006-11-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the tyrosine kinase domain of colony-stimulating factor-1 receptor (cFMS) in complex with two inhibitors.
J.Biol.Chem., 282, 2007
2I0Y
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BU of 2i0y by Molmil
cFMS tyrosine kinase (FGF KID) in complex with an arylamide inhibitor
Descriptor: 5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE, cFMS Tyrosine Kinase
Authors:Schubert, C, Schalk-Hihi, C.
Deposit date:2006-08-11
Release date:2006-11-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the tyrosine kinase domain of colony-stimulating factor-1 receptor (cFMS) in complex with two inhibitors.
J.Biol.Chem., 282, 2007
2I1M
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BU of 2i1m by Molmil
cFMS tyrosine kinase (tie2 KID) in complex with an arylamide inhibitor
Descriptor: 5-CYANO-FURAN-2-CARBOXYLIC ACID [5-HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-1-YL)-PHENYL]-AMIDE, Macrophage colony-stimulating factor 1 receptor
Authors:Schubert, C, Schalk-Hihi, C.
Deposit date:2006-08-14
Release date:2006-11-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the tyrosine kinase domain of colony-stimulating factor-1 receptor (cFMS) in complex with two inhibitors.
J.Biol.Chem., 282, 2007
6FFD
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BU of 6ffd by Molmil
Human BRD4 C-terminal bromodomain with 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone
Descriptor: 1-(4-(3-methylbenzyl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2018-01-06
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design and Synthesis of Tetrahydroquinoxalines as Domain Selective BET Inhibitors
To Be Published
3S24
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BU of 3s24 by Molmil
Crystal structure of human mRNA guanylyltransferase
Descriptor: SULFATE ION, mRNA-capping enzyme
Authors:Das, K, Chu, C, Thyminski, J.R, Bauman, J.D, Guan, R, Qiu, W, Montelione, G.T, Arnold, E, Shatkin, A.J.
Deposit date:2011-05-16
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.0137 Å)
Cite:Structure of the guanylyltransferase domain of human mRNA capping enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
4UIX
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BU of 4uix by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-4H,5H-thieno-3,2-c-pyridine-2- carboxamide
Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, CALCIUM ION, ...
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIT
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BU of 4uit by Molmil
BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-2-(4- methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one
Descriptor: 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 9
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
4UIZ
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BU of 4uiz by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 7-(3,4-dimethoxyphenyl)-2-(4-methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one
Descriptor: 1,2-ETHANEDIOL, 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G.
Deposit date:2015-04-03
Release date:2015-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.
J.Med.Chem., 59, 2016
5FP3
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BU of 5fp3 by Molmil
Cell penetrant inhibitors of the JMJD2 (KDM4) and JARID1 (KDM5) families of histone lysine demethylases
Descriptor: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, BICINE, COBALT (II) ION, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP4
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BU of 5fp4 by Molmil
Crystal structure of human KDM4D in complex with 3-(4- phenylbutanamido)pyridine-4-carboxylic acid
Descriptor: 3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid, FE (II) ION, GLYCEROL, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FP9
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BU of 5fp9 by Molmil
Crystal structure of human KDM4D in complex with 3-aminopyridine-4- carboxylic acid
Descriptor: 3-AMINOPYRIDINE-4-CARBOXYLIC ACID, COBALT (II) ION, GLYCEROL, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
2XUE
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BU of 2xue by Molmil
CRYSTAL STRUCTURE OF JMJD3
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
Authors:Chung, C, Rowland, P, Mosley, J, Thomas, P.J.
Deposit date:2010-10-19
Release date:2011-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
5FPB
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BU of 5fpb by Molmil
Crystal structure of human KDM4D in complex with 2-1H-pyrazol-4-yloxy- 3H,4H-pyrido-3,4-d-pyrimidin-4-one
Descriptor: 2-(1H-pyrazol-4-yloxy)-3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5FPA
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BU of 5fpa by Molmil
Crystal structure of human KDM4D in complex with 3H,4H-pyrido-3,4-d- pyrimidin-4-one
Descriptor: 3H-pyrido[3,4-d]pyrimidin-4-one, COBALT (II) ION, LYSINE-SPECIFIC DEMETHYLASE 4D, ...
Authors:Chung, C.
Deposit date:2015-11-27
Release date:2016-01-27
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
J.Med.Chem., 59, 2016
5A83
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BU of 5a83 by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 4-((3R, 4R)-4-3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydroquinolin-8- yl-aminopiperidin-3-yloxymethyl)-1-thiane-1,1-dione
Descriptor: 1,2-ETHANEDIOL, 8-[[(3R,4R)-3-[[1,1-bis(oxidanylidene)thian-4-yl]methoxy]piperidin-4-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1H-quinolin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5R
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BU of 5a5r by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 5-5- methoxypyridin-3-yl-3-methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7- naphthyridin-2-one
Descriptor: 1,2-ETHANEDIOL, 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A5N
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BU of 5a5n by Molmil
Crystal structure of human ATAD2 bromodomain in complex with (2S)-2,6- diacetamido-N-methylhexanamide
Descriptor: (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-06-20
Release date:2015-07-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fragment-Based Discovery of Low-Micromolar Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015
5A81
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BU of 5a81 by Molmil
Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R) -3-(cyclohexylmethoxy)piperidin-4-yl-amino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one
Descriptor: (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one, 1,2-ETHANEDIOL, ATPASE FAMILY AAA DOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Bamborough, P, Demont, E.
Deposit date:2015-07-11
Release date:2015-08-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structure-Based Optimization of Naphthyridones Into Potent Atad2 Bromodomain Inhibitors.
J.Med.Chem., 58, 2015

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