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6MG1
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C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2 Crystal Form
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta, ...
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MG3
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V285A Mutant of the C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
6MG2
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C-terminal bZIP domain of human C/EBPbeta with 16bp Methylated Oligonucleotide Containing Consensus Recognition Sequence-C2221 Crystal Form
分子名称: 1,2-ETHANEDIOL, 16-bp methylated oligonucleotide, CCAAT/enhancer-binding protein beta
著者Horton, J.R, Cheng, X, Yang, J.
登録日2018-09-12
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.928 Å)
主引用文献Structural basis for effects of CpA modifications on C/EBP beta binding of DNA.
Nucleic Acids Res., 47, 2019
8CXZ
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(3-Phenylpropyl)adenosine (Compound 14)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(3-phenylpropyl)adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CY1
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 19
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(5-phenylpentyl)adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXV
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 3
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXW
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor piclidenoson (Compound 4)
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXU
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 2
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXX
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 6
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXT
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-benzyladenosine (Compound 1)
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CY4
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 16
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-[3-(4-hydroxyphenyl)propyl]adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CY3
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 15
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-[3-(4-aminophenyl)propyl]adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXS
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MTA
分子名称: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DNA Strand 1, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CY0
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BU of 8cy0 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MC4756 (Compound 178)
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(4-phenylbutyl)adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CY2
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BU of 8cy2 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor APNEA (Compound 9)
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CXY
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-(2-Phenethyl)adenosine (Compound 8)
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Zhou, J, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
8CY5
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BU of 8cy5 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 39
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2022-05-22
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
7RFN
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CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC8158
分子名称: 1,2-ETHANEDIOL, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, DNA Strand 1, ...
著者Horton, J.R, Cheng, X, Zhou, J.
登録日2021-07-14
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFL
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BU of 7rfl by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946
分子名称: 1,2-ETHANEDIOL, 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ...
著者Horton, J.R, Cheng, X, Zhou, J.
登録日2021-07-14
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFK
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BU of 7rfk by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor Sinefungin
分子名称: 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ...
著者Horton, J.R, Cheng, X, Zhou, J.
登録日2021-07-14
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
7RFM
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BU of 7rfm by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor EPZ004777
分子名称: 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ...
著者Horton, J.R, Cheng, X, Zhou, J.
登録日2021-07-14
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA.
Epigenetics, 17, 2022
6M1H
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BU of 6m1h by Molmil
CryoEM structure of human PAC1 receptor in complex with maxadilan
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
登録日2020-02-26
公開日2020-03-11
最終更新日2020-05-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
5J70
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BU of 5j70 by Molmil
The Chd1 DNA-binding domain in complex with 17mer DNA duplex
分子名称: Chromo domain-containing protein 1, DNA (5'-D(*CP*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*CP*G)-3')
著者Bowman, G.D, Jenkins, K.R, Hauk, G.
登録日2016-04-05
公開日2017-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.956 Å)
主引用文献Chd1 domains communicate across the DNA gyres of the nucleosome
To Be Published
7C83
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BU of 7c83 by Molmil
Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ren, R.B, Han, Y.F, Xiao, Q.J, Deng, D.
登録日2020-05-28
公開日2021-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism.
Nat Commun, 12, 2021
8K2W
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BU of 8k2w by Molmil
Structure of CXCR3 complexed with antagonist AMG487
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide, ...
著者Jiao, H.Z, Hu, H.L.
登録日2023-07-14
公開日2023-11-29
最終更新日2023-12-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure basis for the modulation of CXC chemokine receptor 3 by antagonist AMG487.
Cell Discov, 9, 2023

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