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PDB: 954 件

5XR5
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Crystal structure of Human Hsp90 with FS4
分子名称: Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide
著者Li, J, Shi, F, Xiong, B, He, J.H.
登録日2017-06-07
公開日2018-06-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Human Hsp90 with FS4
To Be Published
5XRB
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BU of 5xrb by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
分子名称: Heat shock protein HSP 90-alpha, N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]cyclopropanecarboxamide
著者Li, J, Shi, F, Xiong, B, He, J.H.
登録日2017-06-08
公開日2018-07-04
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ5
To Be Published
7WJS
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Crystal Structure of the first bromodomain of human BRD4 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, Bromodomain-containing protein 4, GLYCEROL
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-07
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.73 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
7WKY
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Crystal Structure of the first bromodomain of human BRD4 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, Bromodomain-containing protein 4, GLYCEROL
著者Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y.
登録日2022-01-12
公開日2022-08-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 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
7WMU
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Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146
分子名称: 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide
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 (1.73 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
7WN5
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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
7WLN
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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
7WNA
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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
7WMQ
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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
8WY4
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GajA tetramer with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA
著者Li, J, Wang, Z, Wang, L.
登録日2023-10-30
公開日2024-02-28
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8X51
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Cryo-EM structure of Gabija GajA in complex with DNA(focused refinement)
分子名称: CALCIUM ION, DNA (5'-D(*AP*AP*AP*AP*AP*TP*AP*AP*CP*CP*GP*GP*GP*TP*TP*AP*TP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*AP*TP*AP*AP*CP*CP*CP*GP*GP*TP*TP*AP*TP*TP*TP*TP*T)-3'), ...
著者Li, J, Wang, Z, Wang, L.
登録日2023-11-16
公開日2024-02-28
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
7F02
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Cytochrome c-type biogenesis protein CcmABCD from E. coli
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ...
著者Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P.
登録日2021-06-03
公開日2022-11-09
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
7F03
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Cytochrome c-type biogenesis protein CcmABCD from E. coli in complex with ANP
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, Cytochrome c biogenesis ATP-binding export protein CcmA, Heme exporter protein B, ...
著者Li, J, Zheng, W, Gu, M, Zhang, K, Zhu, J.P.
登録日2021-06-03
公開日2022-11-09
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Structures of the CcmABCD heme release complex at multiple states.
Nat Commun, 13, 2022
7U20
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Crystal structure of human METTL1 and WDR4 complex
分子名称: SULFATE ION, tRNA (guanine-N(7)-)-methyltransferase, tRNA (guanine-N(7)-)-methyltransferase non-catalytic subunit WDR4
著者Li, J, Nowak, R.P, Fischer, E.S, Gregory, R.
登録日2022-02-22
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
5ZMZ
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Amyloid core of RIP1
分子名称: Amyloid core of RIP1
著者Li, J.X, Zheng, J.
登録日2018-04-06
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Amyloid core of RIP1
To Be Published
6CYZ
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BU of 6cyz by Molmil
Mycobacterial homoserine kinase ThrB in complex with AMPPNP
分子名称: CHLORIDE ION, Homoserine kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Li, J, Korotkov, K.V.
登録日2018-04-07
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Mycobacterial homoserine kinase ThrB
To Be Published
5XSJ
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XylFII-LytSN complex
分子名称: Periplasmic binding protein/LacI transcriptional regulator, Signal transduction histidine kinase, LytS, ...
著者Li, J.X, Wang, C.Y, Zhang, P.
登録日2017-06-14
公開日2017-08-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XSD
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XylFII-LytSN complex mutant - D103A
分子名称: Periplasmic binding protein/LacI transcriptional regulator, Signal transduction histidine kinase, LytS
著者Li, J.X, Wang, C.Y, Zhang, P.
登録日2017-06-13
公開日2017-08-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5F3Y
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Crystal Structure of Myo7b N-MyTH4-FERM-SH3 in complex with Anks4b CEN
分子名称: Ankyrin repeat and SAM domain-containing protein 4B, Unconventional myosin-VIIb
著者Li, J, He, Y, Lu, Q, Zhang, M.
登録日2015-12-03
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.409 Å)
主引用文献Mechanistic Basis of Organization of the Harmonin/USH1C-Mediated Brush Border Microvilli Tip-Link Complex
Dev.Cell, 36, 2016
6JLS
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Crystal Structure of FMN-dependent Cysteine Decarboxylases TvaF from Thioviridamide Biosynthesis
分子名称: FLAVIN MONONUCLEOTIDE, Putative flavoprotein decarboxylase
著者Li, J, Lu, J, Wang, H, Zhu, J.
登録日2019-03-06
公開日2019-06-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Characterization of the FMN-Dependent Cysteine Decarboxylase from Thioviridamide Biosynthesis.
Org.Lett., 21, 2019
8JQ9
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BU of 8jq9 by Molmil
Novel Anti-phage System
分子名称: Endonuclease GajA
著者Li, J, Wang, Z, Wang, L.
登録日2023-06-13
公開日2024-02-28
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8JQC
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Novel Anti-phage System
分子名称: Endonuclease GajA, Gabija protein GajB
著者Li, J, Wang, Z, Wang, L.
登録日2023-06-13
公開日2024-02-28
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8JQB
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Structure of Gabija GajA-GajB 4:4 Complex
分子名称: Endonuclease GajA, Gabija protein GajB
著者Li, J, Wang, Z, Wang, L.
登録日2023-06-13
公開日2024-02-28
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
4PY4
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BU of 4py4 by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 14, catalytic domain in complex with an inhibitor XL2
分子名称: 2-({4-[(1R)-1-(dimethylamino)ethyl]phenyl}amino)-6-fluoro-1,3-benzothiazole-4-carboxamide, Poly [ADP-ribose] polymerase 14
著者Li, J, Xu, Y.
登録日2014-03-26
公開日2015-04-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors
Tetrahedron, 70, 2017

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件を2024-08-28に公開中

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