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4HXN
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BU of 4hxn by Molmil
Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor
分子名称: 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
3T0H
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BU of 3t0h by Molmil
Structure insights into mechanisms of ATP hydrolysis and the activation of human Hsp90
分子名称: Heat shock protein HSP 90-alpha
著者Li, J.
登録日2011-07-20
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
3T0Z
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BU of 3t0z by Molmil
Hsp90 N-terminal domain bound to ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-alpha, MAGNESIUM ION
著者Li, J.
登録日2011-07-21
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90.
Acta Biochim Biophys Sin (Shanghai), 44, 2012
5MEA
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BU of 5mea by Molmil
Crystal structure of yeast Cdt1 (N terminal and middle domain), form 2.
分子名称: Cell division cycle protein CDT1, GLYCEROL, SULFATE ION
著者Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
登録日2016-11-14
公開日2017-05-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
5XKD
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BU of 5xkd by Molmil
Crystal structure of dibenzothiophene sulfone monooxygenase BdsA in complex with FMN at 2.4 angstrom
分子名称: Dibenzothiophene desulfurization enzyme A, FLAVIN MONONUCLEOTIDE
著者Gu, L, Su, T, Liu, S, Su, J.
登録日2017-05-07
公開日2018-05-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
5MEB
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BU of 5meb by Molmil
Crystal structure of yeast Cdt1 C-terminal domain
分子名称: Cell division cycle protein CDT1, SULFATE ION
著者Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
登録日2016-11-14
公開日2017-05-17
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
5XKC
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BU of 5xkc by Molmil
Crystal structure of dibenzothiophene sulfone monooxygenase BdsA at 2.2 angstrome
分子名称: Dibenzothiophene desulfurization enzyme A
著者Gu, L, Su, T, Liu, S, Su, J.
登録日2017-05-07
公開日2018-05-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Structural and Biochemical Characterization of BdsA fromBacillus subtilisWU-S2B, a Key Enzyme in the "4S" Desulfurization Pathway.
Front Microbiol, 9, 2018
8X43
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BU of 8x43 by Molmil
human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2
分子名称: Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2
著者Ma, D, Guo, J.
登録日2023-11-15
公開日2024-01-17
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
5ME9
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BU of 5me9 by Molmil
Crystal structure of yeast Cdt1 (N terminal and middle domain), form 1.
分子名称: Cell division cycle protein CDT1, GLYCEROL, SULFATE ION
著者Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
登録日2016-11-14
公開日2017-05-17
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
5GWD
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BU of 5gwd by Molmil
Structure of Myroilysin
分子名称: Myroilysin, ZINC ION
著者Xu, D, Ran, T, Wang, W.
登録日2016-09-10
公開日2017-02-15
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Myroilysin Is a New Bacterial Member of the M12A Family of Metzincin Metallopeptidases and Is Activated by a Cysteine Switch Mechanism.
J. Biol. Chem., 292, 2017
4HXM
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BU of 4hxm by Molmil
Brd4 Bromodomain 1 complex with N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}BUTANAMIDE inhibitor
分子名称: Bromodomain-containing protein 4, N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}butanamide
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXL
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BU of 4hxl by Molmil
Brd4 Bromodomain 1 complex with 3-CYCLOHEXYL-N-{3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)-5-[(THIOPHEN-2-YLSULFONYL)AMINO]PHENYL}PROPANAMIDE inhibitor
分子名称: 3-cyclohexyl-N-{3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)-5-[(thiophen-2-ylsulfonyl)amino]phenyl}propanamide, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
5ZCX
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BU of 5zcx by Molmil
Structure of T20/N39
分子名称: Envelope glycoprotein, Envelope glycoprotein gp160
著者Zhang, X.J, Ding, X.H.
登録日2018-02-21
公開日2018-10-10
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural and functional characterization of HIV-1 cell fusion inhibitor T20.
AIDS, 33, 2019
4HXK
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BU of 4hxk by Molmil
Brd4 Bromodomain 1 complex with 6,7-DIHYDROTHIENO[3,2-C]PYRIDIN-5(4H)-YL(1H-IMIDAZOL-1-YL)METHANONE inhibitor
分子名称: 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl(1H-imidazol-1-yl)methanone, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXR
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BU of 4hxr by Molmil
Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]THIOPHENE-2-SULFONAMIDE inhibitor
分子名称: Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXO
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BU of 4hxo by Molmil
Brd4 Bromodomain 1 complex with 3-{[(3-METHYL-1,2-OXAZOL-5-YL)METHYL]SULFANYL}[1,2,4]TRIAZOLO[4,3-A]PYRIDINE inhibitor
分子名称: 3-{[(3-methyl-1,2-oxazol-5-yl)methyl]sulfanyl}[1,2,4]triazolo[4,3-a]pyridine, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4HXS
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BU of 4hxs by Molmil
Brd4 Bromodomain 1 complex with N-[3-(2-OXO-2,3-DIHYDRO-1,3-THIAZOL-4-YL)PHENYL]-1-PHENYLMETHANESULFONAMIDE inhibitor
分子名称: Bromodomain-containing protein 4, N-[3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]-1-phenylmethanesulfonamide
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
2LSP
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BU of 2lsp by Molmil
solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide
分子名称: Bromodomain-containing protein 4, NF-kB-K310ac peptide
著者Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M.
登録日2012-05-03
公開日2012-07-18
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition.
J.Biol.Chem., 287, 2012
2A5Y
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BU of 2a5y by Molmil
Structure of a CED-4/CED-9 complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Apoptosis regulator ced-9, MAGNESIUM ION, ...
著者Yan, N, Liu, Q, Hao, Q, Gu, L, Shi, Y.
登録日2005-07-01
公開日2005-10-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of the CED-4-CED-9 complex provides insights into programmed cell death in Caenorhabditis elegans.
Nature, 437, 2005
7FCP
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BU of 7fcp by Molmil
Crystallographic structure of two neutralizing antibodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Zheng, P, Jin, T.
登録日2021-07-15
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
7FCQ
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BU of 7fcq by Molmil
Crystallographic structure of neutralizing antibody P14-44 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, P14-44 antibody Fab fragment heavy chain, ...
著者Zheng, P, Jin, T.
登録日2021-07-15
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
6J24
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BU of 6j24 by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate
分子名称: (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-30
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
7W0D
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BU of 7w0d by Molmil
Dicer2-LoqsPD-dsRNA complex at mid-translocation state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Dicer-2, isoform A, ...
著者Su, S, Wang, J, Wang, H.W, Ma, J.
登録日2021-11-18
公開日2022-04-27
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.18 Å)
主引用文献Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
7W0B
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Dicer2-LoqsPD complex at apo status
分子名称: Dicer-2, isoform A, Loquacious, ...
著者Su, S, Wang, J, Wang, H.W, Ma, J.
登録日2021-11-18
公開日2022-04-27
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022
7W0F
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dmDicer2-LoqsPD-dsRNA Post-dicing status
分子名称: Dicer-2, isoform A, Loquacious, ...
著者Su, S, Wang, J, Wang, H.W, Ma, J.
登録日2021-11-18
公開日2022-04-27
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.55 Å)
主引用文献Structural insights into dsRNA processing by Drosophila Dicer-2-Loqs-PD.
Nature, 607, 2022

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