Author results

6BGY
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-CHLOROPHENYL)(2-(1-METHYLPYRROLIDIN-2-YL)ETHOXY)METHYL)-1H-PYRROLO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID(COMPOUND 46)
分子名称:Lysine-specific demethylase 5A,linked KDM5A JMJ domain, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, MANGANESE (II) ION, ...
著者Horton, J.R., Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
4RNX
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K154 CIRCULAR PERMUTATION OF OLD YELLOW ENZYME
分子名称:NADPH dehydrogenase 1, FLAVIN MONONUCLEOTIDE, 1,2-ETHANEDIOL
著者Horton, J.R., Daugherty, A.B., Cheng, X., Lutz, S.
登録日2014-10-26
公開日2015-01-14
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
5IVB
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A HIGH RESOLUTION STRUCTURE OF A LINKED KDM5A JMJ DOMAIN WITH ALPHA-KETOGLUTARATE
分子名称:Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, 2-OXOGLUTARIC ACID, MANGANESE (II) ION, ...
著者Horton, J.R., Cheng, X.
登録日2016-03-20
公開日2016-07-27
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (1.389 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
6DQ4
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
分子名称:Linked KDM5A Jmj Domain, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, MANGANESE (II) ION, ...
著者Horton, J.R., Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.392 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
3FDE
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MOUSE UHRF1 SRA DOMAIN BOUND WITH HEMI-METHYLATED CPG DNA, CRYSTAL STRUCTURE IN SPACE GROUP C222(1) AT 1.4 A RESOLUTION
分子名称:E3 ubiquitin-protein ligase UHRF1, 5'-D(*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3', ...
著者Hashimoto, H., Horton, J.R., Zhang, X., Cheng, X.
登録日2008-11-25
公開日2009-01-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献UHRF1, a modular multi-domain protein, regulates replication-coupled crosstalk between DNA methylation and histone modifications.
Epigenetics, 4, 2009
2PUY
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CRYSTAL STRUCTURE OF THE BHC80 PHD FINGER
分子名称:PHD finger protein 21A, Histone H3, ZINC ION
著者Horton, J.R., Cheng, X., Collins, R.E.
登録日2007-05-09
公開日2007-08-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Recognition of unmethylated histone H3 lysine 4 links BHC80 to LSD1-mediated gene repression.
Nature, 448, 2007
6BH2
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-N-(1-(3-ISOPROPYL-1H-PYRAZOLE-5-CARBONYL)PYRROLIDIN-3-YL)CYCLOPROPANECARBOXAMIDE (COMPOUND N54)
分子名称:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, MANGANESE (II) ION, ...
著者Horton, J.R., Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.447 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
5IVY
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N16 [3-(2-(4-CHLOROPHENYL)ACETAMIDO)ISONICOTINIC ACID]
分子名称:Lysine-specific demethylase 5A, 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid, MANGANESE (II) ION
著者Horton, J.R., Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
6DQ8
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 I.E. 2-((2-CHLOROPHENYL)(2-(1-METHYLPYRROLIDIN-2-YL)ETHOXY)METHYL)THIENO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID
分子名称:Linked KDM5A Jmj Domain, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ...
著者Horton, J.R., Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6ML4
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BTB24 ZINC FINGERS 4-8 WITH 19+1MER DNA OLIGONUCLEOTIDE (SEQUENCE 3)
分子名称:Zinc finger and BTB domain-containing protein 24, DNA (5'-D(*AP*CP*GP*CP*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
著者Horton, J.R., Cheng, X., Ren, R.
登録日2018-09-26
公開日2019-07-03
実験手法X-RAY DIFFRACTION (1.482 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24
Nucleic Acids Res., 2019
3ICV
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STRUCTURAL CONSEQUENCES OF A CIRCULAR PERMUTATION ON LIPASE B FROM CANDIDA ANTARTICA
分子名称:Lipase B, N-ACETYL-D-GLUCOSAMINE, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
著者Horton, J.R., Qian, Z., Jia, D., Lutz, S., Cheng, X.
登録日2009-07-18
公開日2009-10-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation.
J.Mol.Biol., 393, 2009
6OD3
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HUMAN TCF4 C-TERMINAL BHLH DOMAIN IN COMPLEX WITH 13-BP OLIGONUCLEOTIDE CONTAINING E-BOX SEQUENCE
分子名称:Transcription factor 4, DNA (5'-D(*CP*AP*TP*AP*CP*AP*CP*GP*TP*GP*TP*AP*T)-3'), 1,2-ETHANEDIOL, ...
著者Horton, J.R., Cheng, X., Yang, J.
登録日2019-03-25
公開日2019-05-29
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献Structural basis for preferential binding of human TCF4 to DNA containing 5-carboxylcytosine.
Nucleic Acids Res., 2019
6ML6
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ZBTB24 ZINC FINGERS 4-8 WITH 19+1MER DNA OLIGONUCLEOTIDE (SEQUENCE 4 WITH A CPA 5MC MODIFICATION)
分子名称:Zinc finger and BTB domain-containing protein 24, DNA (5'-D(*AP*CP*GP*(5CM)P*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ...
著者Horton, J.R., Cheng, X., Ren, R.
登録日2018-09-26
公開日2019-07-03
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural basis of specific DNA binding by the transcription factor ZBTB24
Nucleic Acids Res., 2019
4RNW
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TRUNCATED VERSION OF THE G303 CIRCULAR PERMUTATION OF OLD YELLOW ENZYME
分子名称:NADPH dehydrogenase 1, FLAVIN MONONUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Horton, J.R., Daugherty, A.B., Cheng, X., Lutz, S.
登録日2014-10-26
公開日2015-01-14
最終更新日2018-10-10
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
6B0O
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ZINC FINGER DOMAIN OF WT1(-KTS FORM) WITH 12+1MER OLIGONUCLEOTIDE WITH 3' TRIPLET TGT
分子名称:Wilms tumor protein, DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*AP*GP*TP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*AP*CP*TP*CP*CP*CP*AP*CP*GP*C)-3'), ...
著者Horton, J.R., Cheng, X.
登録日2017-09-14
公開日2018-01-03
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (1.552 Å)
主引用文献Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites.
Nucleic Acids Res., 46, 2018
5IVJ
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N11 [3-({1-[2-(4,4-DIFLUOROPIPERIDIN-1-YL)ETHYL]-5-FLUORO-1H-INDAZOL-3-YL}AMINO)PYRIDINE-4-CARBOXYLIC ACID]
分子名称:Lysine-specific demethylase 5A, 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid, MANGANESE (II) ION, ...
著者Horton, J.R., Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (1.569 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVC
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N3 (4'-[(2-PHENYLETHYL)CARBAMOYL][2,2'-BIPYRIDINE]-4-CARBOXYLIC ACID)
分子名称:Lysine-specific demethylase 5A, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, MANGANESE (II) ION, ...
著者Horton, J.R., Cheng, X.
登録日2016-03-20
公開日2016-07-27
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (1.573 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
2BZG
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CRYSTAL STRUCTURE OF THIOPURINE S-METHYLTRANSFERASE.
分子名称:THIOPURINE S-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
著者Battaile, K.P., Wu, H., Zeng, H., Loppnau, P., Dong, A., Weigelt, J., Sundstrom, M., Arrowsmith, C.H., Edwards, A.M., Bochkarev, A., Plotnikov, A.N., Structural Genomics Consortium (SGC)
登録日2005-08-17
公開日2005-08-25
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Basis of Allele Variation of Human Thiopurine-S-Methyltransferase.
Proteins, 67, 2007
6DQ6
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 I.E. 3-((2-(PYRIDIN-2-YL)-6-(4-(VINYLSULFONYL)-1,4-DIAZEPAN-1-YL)PYRIMIDIN-4-YL)AMINO)PROPANOIC ACID
分子名称:Linked KDM5A Jmj Domain, N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine, MANGANESE (II) ION, ...
著者Horton, J.R., Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
3PVI
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D34G MUTANT OF PVUII ENDONUCLEASE COMPLEXED WITH COGNATE DNA SHOWS THAT ASP34 IS DIRECTLY INVOLVED IN DNA RECOGNITION AND INDIRECTLY INVOLVED IN CATALYSIS
分子名称:DNA (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C)-3'), PROTEIN (PVUII ENDONUCLEASE)
著者Horton, J.R., Cheng, X.
登録日1998-10-09
公開日1998-10-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Asp34 of PvuII endonuclease is directly involved in DNA minor groove recognition and indirectly involved in catalysis.
J.Mol.Biol., 284, 1998
6MBO
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GLP METHYLTRANSFERASE WITH INHIBITOR EML741-P212121 CRYSTAL FORM
分子名称:Histone-lysine N-methyltransferase EHMT1, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, ZINC ION, ...
著者Horton, J.R., Cheng, X.
登録日2018-08-30
公開日2019-02-27
最終更新日2019-03-27
実験手法X-RAY DIFFRACTION (1.591 Å)
主引用文献Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
6BGV
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-CHLOROPHENYL)(2-(PIPERIDIN-1-YL)ETHOXY)METHYL)-1L2-PYRROLO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID (COMPOUND N40)
分子名称:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, ...
著者Horton, J.R., Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.592 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
1MR3
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SACCHAROMYCES CEREVISIAE ADP-RIBOSYLATION FACTOR 2 (SCARF2) COMPLEXED WITH GDP-3'P AT 1.6A RESOLUTION
分子名称:ADP-ribosylation factor 2, MAGNESIUM ION, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, ...
著者Amor, J.-C., Horton, J.R., Zhu, X., Wang, Y., Sullards, C., Ringe, D., Cheng, X., Kahn, R.A.
登録日2002-09-17
公開日2002-11-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structures of yeast ARF2 and ARL1: distinct roles for the N terminus in the structure and function of ARF family GTPases.
J.Biol.Chem., 276, 2001
5IW0
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N19 [2-(5-((4-CHLORO-2-METHYLBENZYL)OXY)-1H-PYRAZOL-1-YL)ISONICOTINIC ACID]
分子名称:Lysine-specific demethylase 5A, 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid, 2-OXOGLUTARIC ACID, ...
著者Horton, J.R., Cheng, X.
登録日2016-03-21
公開日2016-07-27
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
6BGW
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-CHLOROPHENYL)(2-(4,4-DIFLUOROPIPERIDIN-1-YL)ETHOXY)METHYL)-1H-PYRROLO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID(COMPOUND N41)
分子名称:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, ...
著者Horton, J.R., Cheng, X.
登録日2017-10-29
公開日2018-03-28
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018