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PDB: 579 件
7WNA
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BU of 7wna by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-17
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WLN
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BU of 7wln by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153
分子名称: 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-13
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WNI
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Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158
分子名称: 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-18
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WMQ
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BU of 7wmq by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157
分子名称: 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-16
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WN5
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BU of 7wn5 by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142
分子名称: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ...
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-17
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.
J.Med.Chem., 65, 2022
7WPD
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BU of 7wpd by Molmil
SARS-CoV-2 Omicron Variant S Trimer complexed with one JMB2002 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ...
著者Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E.
登録日2022-01-23
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7WPF
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BU of 7wpf by Molmil
SARS-CoV-2 Omicron Variant S Trimer complexed with three JMB2002 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ...
著者Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E.
登録日2022-01-23
公開日2022-03-16
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7WPE
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BU of 7wpe by Molmil
SARS-CoV-2 Omicron Variant S Trimer complexed with two JMB2002 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ...
著者Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E.
登録日2022-01-23
公開日2022-03-23
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
7WRV
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BU of 7wrv by Molmil
The interface of JMB2002 Fab binds to SARS-CoV-2 Omicron Variant S
分子名称: JMB2002 Fab heavy chain, JMB2002 Fab light chain, Spike glycoprotein
著者Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E.
登録日2022-01-27
公開日2022-03-23
実験手法ELECTRON MICROSCOPY (2.47 Å)
主引用文献Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody.
Science, 375, 2022
3FPP
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BU of 3fpp by Molmil
Crystal structure of E.coli MacA
分子名称: Macrolide-specific efflux protein macA
著者Yum, S, Xu, Y, Piao, S, Ha, N.-C.
登録日2009-01-06
公開日2009-04-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal structure of the periplasmic component of a tripartite macrolide-specific efflux pump
J.Mol.Biol., 387, 2009
3G5V
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BU of 3g5v by Molmil
Antibodies Specifically Targeting a Locally Misfolded Region of Tumor Associated EGFR
分子名称: 806 light chain, 808 heavy chain, ACETATE ION, ...
著者Garrett, T.P.J, Burgess, A.W, Huyton, T, Xu, Y.
登録日2009-02-05
公開日2010-02-09
最終更新日2011-10-12
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Antibodies specifically targeting a locally misfolded region of tumor associated EGFR
Proc.Natl.Acad.Sci.USA, 106, 2009
7FJG
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BU of 7fjg by Molmil
Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum
分子名称: ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, NADH-dependent butanol dehydrogenase A
著者Bai, X, Lan, J, Wang, L, Bu, T, Xu, Y.
登録日2021-08-03
公開日2022-06-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystal structure of butanol dehydrogenase A (YqdH) in complex with partial NADH from Fusobacterium nucleatum
To Be Published
4YOC
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BU of 4yoc by Molmil
Crystal Structure of human DNMT1 and USP7/HAUSP complex
分子名称: DNA (cytosine-5)-methyltransferase 1, Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION
著者Cheng, J, Yang, H, Fang, J, Gong, R, Wang, P, Li, Z, Xu, Y.
登録日2015-03-11
公開日2015-05-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.916 Å)
主引用文献Molecular mechanism for USP7-mediated DNMT1 stabilization by acetylation.
Nat Commun, 6, 2015
4Z90
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BU of 4z90 by Molmil
ELIC bound with the anesthetic isoflurane in the resting state
分子名称: (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Gamma-aminobutyric-acid receptor subunit beta-1
著者Chen, Q, Kinde, M, Arjunan, P, Cohen, A, Xu, Y, Tang, P.
登録日2015-04-09
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.
Sci Rep, 5, 2015
4Z91
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ELIC cocrystallized with isofluorane in a desensitized state
分子名称: (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 1.7.6 3-bromanylpropan-1-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Chen, Q, Kinde, M.N, Arjunan, P, Cohen, A, Xu, Y, Tang, P.
登録日2015-04-09
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3915 Å)
主引用文献Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.
Sci Rep, 5, 2015
8HSY
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BU of 8hsy by Molmil
Acyl-ACP Synthetase structure
分子名称: Acyl-acyl carrier protein synthetase
著者Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y.
登録日2022-12-20
公開日2023-12-27
実験手法ELECTRON MICROSCOPY (2.53 Å)
主引用文献Acyl-ACP Synthetase structure
To Be Published
6D1S
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BU of 6d1s by Molmil
Crystal structure of an apo chimeric human alpha1GABAA receptor
分子名称: chimeric alpha1GABAA receptor
著者Chen, Q, Arjunan, P, Cohen, A.E, Xu, Y, Tang, P.
登録日2018-04-12
公開日2018-08-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis of neurosteroid anesthetic action on GABAAreceptors.
Nat Commun, 9, 2018
6CDU
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BU of 6cdu by Molmil
Crystal structure of a chimeric human alpha1GABAA receptor in complex with alphaxalone
分子名称: (3a,5a)-3-Hydroxypregnane-11,20-dione, chimeric alpha1GABAA receptor
著者Chen, Q, Arjunan, P, Cohen, A.E, Xu, Y, Tang, P.
登録日2018-02-09
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Structural basis of neurosteroid anesthetic action on GABAAreceptors.
Nat Commun, 9, 2018
3KYS
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BU of 3kys by Molmil
Crystal structure of human YAP and TEAD complex
分子名称: 65 kDa Yes-associated protein, Transcriptional enhancer factor TEF-1
著者Li, Z, Zhao, B, Wang, P, Chen, F, Dong, Z, Yang, H, Guan, K.L, Xu, Y.
登録日2009-12-07
公開日2010-02-23
最終更新日2020-10-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the YAP and TEAD complex
Genes Dev., 24, 2010
2GBL
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BU of 2gbl by Molmil
Crystal Structure of Full Length Circadian Clock Protein KaiC with Phosphorylation Sites
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase kaiC, MAGNESIUM ION
著者Pattanayek, R, Williams, D.R, Pattanayek, S, Xu, Y, Mori, T, Johnson, C.H, Stewart, P.L, Egli, M.
登録日2006-03-10
公開日2007-01-23
最終更新日2021-07-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Analysis of KaiA-KaiC protein interactions in the cyano-bacterial circadian clock using hybrid structural methods.
Embo J., 25, 2006
8I49
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BU of 8i49 by Molmil
Acyl-ACP synthetase structure bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Acyl-acyl carrier protein synthetase
著者Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y.
登録日2023-01-18
公開日2024-01-24
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Acyl-ACP synthetase structure bound to ATP.
To Be Published
8I22
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BU of 8i22 by Molmil
Acyl-ACP synthetase structure bound to pimelic acid monoethyl ester
分子名称: 7-ethoxy-7-oxidanylidene-heptanoic acid, Acyl-acyl carrier protein synthetase
著者Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y.
登録日2023-01-13
公開日2024-01-17
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.15 Å)
主引用文献Acyl-ACP synthetase structure bound to pimelic acid monoethyl ester
To Be Published
8I3I
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BU of 8i3i by Molmil
Acyl-ACP synthetase structure bound to AMP-PNP in the presence of MgCl2
分子名称: Acyl-acyl carrier protein synthetase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y.
登録日2023-01-17
公開日2024-01-24
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Acyl-ACP synthetase structure bound to AMP-PNP in the presence of MgCl2
To Be Published
8I35
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BU of 8i35 by Molmil
Acyl-ACP synthetase structure bound to oleic acid
分子名称: Acyl-acyl carrier protein synthetase, OLEIC ACID
著者Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y.
登録日2023-01-16
公開日2024-01-24
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.75 Å)
主引用文献Acyl-ACP synthetase structure bound to oleic acid
To Be Published
8I51
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BU of 8i51 by Molmil
Acyl-ACP synthetase structure bound to AMP-MC7
分子名称: 7-methoxy-7-oxidanylidene-heptanoic acid, ADENOSINE MONOPHOSPHATE, Acyl-acyl carrier protein synthetase, ...
著者Huang, H, Wang, C, Chang, S, Cui, T, Xu, Y, Zhang, H, Zhou, C, Zhang, X, Feng, Y.
登録日2023-01-21
公開日2024-01-24
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Acyl-ACP synthetase structure bound to AMP-MC7
To Be Published

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件を2024-06-05に公開中

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