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7VKH
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BU of 7vkh by Molmil
Crystal structure of AF9 YEATS domain in complex with hit 2
分子名称: GLYCEROL, Protein AF-9, ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide
著者Liu, Y, Ruan, K.
登録日2021-09-30
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7VKG
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BU of 7vkg by Molmil
Crystal structure of AF9 YEATS domain in complex with Compound 10
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Protein AF-9, ...
著者Liu, Y, Ruan, K.
登録日2021-09-29
公開日2022-10-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Fragment-Based Discovery of AF9 YEATS Domain Inhibitors.
Int J Mol Sci, 23, 2022
7XC4
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BU of 7xc4 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M) in complex with Oxaprozin
分子名称: 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid, Papain-like protease nsp3
著者Li, J, Liu, Y, Gao, J, Ruan, K.
登録日2022-03-22
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
5JI8
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BU of 5ji8 by Molmil
Crystal structure of the BRD9 bromodomain and hit 1
分子名称: 2-amino-1,3-benzothiazole-6-carboxamide, Bromodomain-containing protein 9
著者Wang, N, Li, F, Bao, H, Li, J, Wu, J, Ruan, K.
登録日2016-04-22
公開日2016-06-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献NMR Fragment Screening Hit Induces Plasticity of BRD7/9 Bromodomains
Chembiochem, 17, 2016
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
分子名称: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
著者Liu, J, Ruan, K.
登録日2017-10-09
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
8H43
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BU of 8h43 by Molmil
Crystal structure of PHF1 Tudor domain in complex with hit 1
分子名称: 2-[(3S)-piperidin-3-yl]-1,3-benzoxazole, PHD finger protein 1
著者Liu, Y, Ruan, K.
登録日2022-10-10
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of PHF1 Tudor domain in complex with hit 1
To be published
4K6N
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BU of 4k6n by Molmil
Crystal structure of yeast 4-amino-4-deoxychorismate lyase
分子名称: Aminodeoxychorismate lyase, PYRIDOXAL-5'-PHOSPHATE
著者Dai, Y.-N, Chi, C.-B, Zhou, K, Cheng, W, Jiang, Y.-L, Ren, Y.-M, Chen, Y, Zhou, C.-Z.
登録日2013-04-16
公開日2013-07-10
最終更新日2013-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and catalytic mechanism of yeast 4-amino-4-deoxychorismate lyase
J.Biol.Chem., 288, 2013
2LUY
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BU of 2luy by Molmil
Solution structure of the tandem zinc finger domain of fission yeast Stc1
分子名称: Meiotic chromosome segregation protein P8B7.28c, ZINC ION
著者He, C, Shi, Y, Bayne, E, Wu, J.
登録日2012-06-22
公開日2013-05-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structural analysis of Stc1 provides insights into the coupling of RNAi and chromatin modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
7CKG
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BU of 7ckg by Molmil
Crystal structure of TMSiPheRS complexed with TMSiPhe
分子名称: 4-(trimethylsilyl)-L-phenylalanine, Tyrosine--tRNA ligase
著者Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
登録日2020-07-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.053 Å)
主引用文献DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
7CKH
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BU of 7ckh by Molmil
Crystal structure of TMSiPheRS
分子名称: Tyrosine--tRNA ligase
著者Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
登録日2020-07-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79492676 Å)
主引用文献DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
6JKM
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BU of 6jkm by Molmil
Crystal structure of BubR1 kinase domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
登録日2019-03-01
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
6JKK
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BU of 6jkk by Molmil
Crystal structure of BubR1 kinase domain
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Mitotic checkpoint control protein kinase BUB1
著者Lin, L, Ye, S, Huang, Y, Liu, X, Zhang, R, Yao, X.
登録日2019-03-01
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献BubR1 phosphorylates CENP-E as a switch enabling the transition from lateral association to end-on capture of spindle microtubules.
Cell Res., 29, 2019
7DV5
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BU of 7dv5 by Molmil
Human bile salt exporter ABCB11 in complex with taurocholate
分子名称: Bile salt export pump, TAUROCHOLIC ACID
著者Wang, L, How, W.T, Chen, Y.
登録日2021-01-12
公開日2022-01-19
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets.
Cell Res., 32, 2022
7E1A
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BU of 7e1a by Molmil
Human bile salt exporter ABCB11 in complex with taurocholate
分子名称: Bile salt export pump, TAUROCHOLIC ACID
著者Wang, L, How, W.T, Chen, Y.
登録日2021-02-01
公開日2022-02-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structures of human bile acid exporter ABCB11 reveal a transport mechanism facilitated by two tandem substrate-binding pockets.
Cell Res., 32, 2022
7XC3
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BU of 7xc3 by Molmil
Crystal structure of SARS-CoV-2 NSP3 Macrodomain 3 (SARS-unique domain-M)
分子名称: Papain-like protease nsp3
著者Li, J, Gao, J.
登録日2022-03-22
公開日2022-11-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Two Binding Sites of SARS-CoV-2 Macrodomain 3 Probed by Oxaprozin and Meclomen.
J.Med.Chem., 65, 2022
5H1D
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BU of 5h1d by Molmil
Crystal structure of C-terminal of RhoGDI2
分子名称: Rho GDP-dissociation inhibitor 2
著者Liu, J.
登録日2016-10-08
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.494 Å)
主引用文献NMR characterization of weak interactions between RhoGDI2 and fragment screening hits.
Biochim. Biophys. Acta, 1861, 2017
5H1V
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BU of 5h1v by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 6
分子名称: 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5GH9
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BU of 5gh9 by Molmil
Crystal structure of CBP Bromodomain with H3K56ac peptide
分子名称: CREB-binding protein, Histone H3
著者Xu, L.
登録日2016-06-19
公開日2017-06-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural insight into CBP bromodomain-mediated recognition of acetylated histone H3K56ac
FEBS J., 2017
5H1U
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BU of 5h1u by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 2
分子名称: 2-amino-1,3-benzothiazole-6-carboxamide, DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5H1T
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BU of 5h1t by Molmil
Complex structure of TRIM24 PHD-bromodomain and inhibitor 1
分子名称: DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ...
著者Liu, J.
登録日2016-10-11
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.951 Å)
主引用文献The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network
FEBS J., 284, 2017
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
分子名称: Ran guanine nucleotide release factor
著者Hu, Q, Liu, Y, Bao, X, Liu, H.
登録日2017-09-21
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
6KRG
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BU of 6krg by Molmil
Crystal structure of sfGFP Y182TMSiPhe
分子名称: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
著者Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
登録日2019-08-21
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
6L0X
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BU of 6l0x by Molmil
The First Tudor Domain of PHF20L1
分子名称: CITRIC ACID, GLYCEROL, PHD finger protein 20-like protein 1
著者Lv, M.Q, Gao, J.
登録日2019-09-27
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6L1P
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BU of 6l1p by Molmil
Crystal structure of PHF20L1 in complex with Hit 1
分子名称: 4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol, GLYCEROL, PHD finger protein 20-like protein 1, ...
著者Lv, M.Q, Gao, J.
登録日2019-09-29
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.231 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020
6L1C
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BU of 6l1c by Molmil
Crystal Structure Of of PHF20L1 Tudor1 Y24L mutant
分子名称: GLYCEROL, PHD finger protein 20-like protein 1, SULFATE ION
著者Lv, M.Q, Gao, J.
登録日2019-09-28
公開日2020-09-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Conformational Selection in Ligand Recognition by the First Tudor Domain of PHF20L1.
J Phys Chem Lett, 11, 2020

 

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