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7QZQ
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BU of 7qzq by Molmil
Crystal structure of the kelch domain of human KBTBD12
分子名称: 1,2-ETHANEDIOL, Kelch repeat and BTB domain-containing protein 12, SODIUM ION
著者Manning, C.E, Chen, Z, Chen, X, Bradshaw, W.J, Bakshi, S, Mckinley, G, Chalk, R, Burgess-Brown, N, von Delft, F, Bullock, A.N.
登録日2022-01-31
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of the kelch domain of human KBTBD12
To Be Published
6DQ4
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BU of 6dq4 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
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
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: 1,2-ETHANEDIOL, 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2023-10-11
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
9E6S
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BU of 9e6s by Molmil
BCL11A ZF4-6 with K784T Mutation in Complex with a DNA Sequence Observed in the Human Globin Locus Containing Motif TGACCA
分子名称: 1,2-ETHANEDIOL, B-cell lymphoma/leukemia 11A, DNA Strand I, ...
著者Horton, J.R, Cheng, X.
登録日2024-10-30
公開日2025-04-09
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multimeric transcription factor BCL11A utilizes two zinc-finger tandem arrays to bind clustered short sequence motifs.
Nat Commun, 16, 2025
9E6T
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BU of 9e6t by Molmil
BCL11A ZF4-6 in Complex with a DNA Sequence Observed in the Human Globin Locus Containing Motif TGCCCA
分子名称: 1,2-ETHANEDIOL, B-cell lymphoma/leukemia 11A, DNA Strand I, ...
著者Horton, J.R, Cheng, X.
登録日2024-10-30
公開日2025-04-09
最終更新日2025-04-30
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Multimeric transcription factor BCL11A utilizes two zinc-finger tandem arrays to bind clustered short sequence motifs.
Nat Commun, 16, 2025
8VPI
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BU of 8vpi by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPG
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BU of 8vpg by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(dimethylamino)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPH
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BU of 8vph by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455 and Inhibitor MC4741
分子名称: DNA Strand I, DNA Strand II, N-(3-phenylpropyl)adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
5X7D
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BU of 5x7d by Molmil
Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist
分子名称: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Liu, X, Ahn, S, Kahsai, A.W, Meng, K.-C, Latorraca, N.R, Pani, B, Venkatakrishnan, A.J, Masoudi, A, Weis, W.I, Dror, R.O, Chen, X, Lefkowitz, R.J, Kobilka, B.K.
登録日2017-02-25
公開日2017-08-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Mechanism of intracellular allosteric beta 2AR antagonist revealed by X-ray crystal structure.
Nature, 548, 2017
7YCX
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BU of 7ycx by Molmil
The structure of INTAC-PEC complex
分子名称: DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB1,DNA-directed RNA polymerase II subunit RPB1, ...
著者Zheng, H, Jin, Q, Wang, X, Qi, Y, Liu, W, Ren, Y, Zhao, D, Chen, F.X, Cheng, J, Chen, X, Xu, Y.
登録日2022-07-02
公開日2023-03-15
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Structural basis of INTAC-regulated transcription.
Protein Cell, 14, 2023
9IWV
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BU of 9iwv by Molmil
Crystal structure of Lsd18 after incubation with the substrate
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Wang, Q, Kim, C.Y, Chen, X.
登録日2024-07-26
公開日2025-04-16
最終更新日2025-05-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mechanistic and molecular insights into iterative triepoxidation catalyzed by monooxygenase MonCI using a natural substrate analog.
Int.J.Biol.Macromol., 311, 2025
4E12
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BU of 4e12 by Molmil
Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase
分子名称: Diketoreductase, GLYCEROL, PENTAETHYLENE GLYCOL, ...
著者Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y.
登録日2012-03-05
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
4DYD
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BU of 4dyd by Molmil
Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase
分子名称: Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y.
登録日2012-02-28
公開日2012-11-14
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
4E13
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BU of 4e13 by Molmil
Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase
分子名称: Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y.
登録日2012-03-05
公開日2012-11-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
4IAN
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BU of 4ian by Molmil
Crystal Structure of apo Human PRPF4B kinase domain
分子名称: SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-06
公開日2013-08-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IFC
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BU of 4ifc by Molmil
Crystal Structure of ADP-bound Human PRPF4B kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-14
公開日2013-08-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
4IJP
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BU of 4ijp by Molmil
Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine
分子名称: 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-22
公開日2013-08-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
8S9M
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BU of 8s9m by Molmil
DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9O
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BU of 8s9o by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 crystal form
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
8S9N
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BU of 8s9n by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form
分子名称: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2023-03-29
公開日2023-08-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
4IIR
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BU of 4iir by Molmil
Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-20
公開日2013-08-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
1HKA
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BU of 1hka by Molmil
6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
分子名称: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE
著者Xiao, B, Shi, G, Chen, X, Yan, H, Ji, X.
登録日1998-09-29
公開日1999-06-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, a potential target for the development of novel antimicrobial agents.
Structure Fold.Des., 7, 1999
1WWN
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BU of 1wwn by Molmil
NMR Solution Structure of BmK-betaIT, an Excitatory Scorpion Toxin from Buthus martensi Karsch
分子名称: Excitatory insect selective toxin 1
著者Wu, H, Tong, X, Chen, X, Zhang, Q, Zheng, X, Zhang, N, Wu, G.
登録日2005-01-10
公開日2006-01-17
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献NMR solution structure of BmK-betaIT, an excitatory scorpion beta-toxin without a 'hot spot' at the relevant position
Biochem.Biophys.Res.Commun., 349, 2006
8TLH
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BU of 8tlh by Molmil
CDCA7 (Mouse) Binds Non-B-form 32-mer DNA oligo
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLF
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BU of 8tlf by Molmil
CDCA7 (Mouse) Binds Non-B-form DNA oligo 36-mer (sg C2-Form 2)
分子名称: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, GLYCEROL, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2023-07-26
公開日2024-08-21
最終更新日2024-08-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023

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