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4PVG
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BU of 4pvg by Molmil
Crystal structure of protein tyrosine phosphatase Shp2 catalytic domain complex with small molecular compound L88N79
分子名称: 2-[3-({4-[(1,3-benzodioxol-5-ylmethyl)amino]-4-oxobutanoyl}amino)phenyl]-6-hydroxy-3-iodo-1-methyl-1H-indole-5-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 11
著者Zhang, Z.-Y, Zeng, L, Liu, D, Yu, Z.
登録日2014-03-17
公開日2015-04-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of protein tyrosine Shp2 catalytic domain complex with compound L88N79
To be Published
6BNH
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BU of 6bnh by Molmil
Solution NMR structures of BRD4 ET domain with JMJD6 peptide
分子名称: Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Bromodomain-containing protein 4
著者Konuma, T, Yu, D, Zhao, C, Ju, Y, Sharma, R, Ren, C, Zhang, Q, Zhou, M.-M, Zeng, L.
登録日2017-11-16
公開日2017-12-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Mechanism of the Oxygenase JMJD6 Recognition by the Extraterminal (ET) Domain of BRD4.
Sci Rep, 7, 2017
2L85
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BU of 2l85 by Molmil
Solution NMR structures of CBP bromodomain with small molecule of HBS
分子名称: 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid, CREB-binding protein
著者Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M.
登録日2011-01-04
公開日2011-01-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
6IMQ
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BU of 6imq by Molmil
Crystal structure of PML B1-box multimers
分子名称: CHLORIDE ION, Protein PML, ZINC ION
著者Li, Y, Ma, X, Chen, Z, Wu, H, Wang, P, Wu, W, Cheng, N, Zeng, L, Zhang, H, Cai, X, Chen, S.J, Chen, Z, Meng, G.
登録日2018-10-23
公開日2019-07-31
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献B1 oligomerization regulates PML nuclear body biogenesis and leukemogenesis.
Nat Commun, 10, 2019
7XEZ
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BU of 7xez by Molmil
NMR solution structures of p300 TAZ2 domain in complex with BRD4-NUT F1c domain binding motif #2
分子名称: Histone acetyltransferase p300,NUT family member 1, ZINC ION
著者Yu, D, Zeng, L, Zhou, M.-M.
登録日2022-03-31
公開日2023-04-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Mechanism of BRD4-NUT Fusion Protein in p300-Activated Hyperacetylation
To Be Published
7XFG
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BU of 7xfg by Molmil
NMR solution structures of p300 TAZ2 domain in complex with BRD4-NUT F1c domain binding motif #1
分子名称: Histone acetyltransferase p300, NUT family member 1, ZINC ION
著者Yu, D, Zeng, L, Zhou, M.-M.
登録日2022-04-01
公開日2023-04-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Mechanism of BRD4-NUT Fusion Protein in p300-Activated Hyperacetylation
To Be Published
7Y0I
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BU of 7y0i by Molmil
Solution structures of ASH1L PHD domain in complex with H3K4me2 peptide
分子名称: ALA-ARG-THR-MLY-GLN-THR-ALA-ARG-LYS-SER-THR-GLY-GLY-LYS-ALA, Histone-lysine N-methyltransferase ASH1L, ZINC ION
著者Yu, M, Zeng, L.
登録日2022-06-05
公開日2022-10-12
実験手法SOLUTION NMR
主引用文献Structural insight into ASH1L PHD finger recognizing methylated histone H3K4 and promoting cell growth in prostate cancer.
Front Oncol, 12, 2022
4F3I
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BU of 4f3i by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with MS417 inhibitor
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
著者Joshua, J, Zhou, M.-M, Plotnikov, A.N.
登録日2012-05-09
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
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
6DJC
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BU of 6djc by Molmil
Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
著者Ren, C, Zhou, M.M.
登録日2018-05-25
公開日2018-07-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Spatially constrained tandem bromodomain inhibition bolsters sustained repression of BRD4 transcriptional activity for TNBC cell growth.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2FE9
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BU of 2fe9 by Molmil
Solution structure of the Vts1 SAM domain in the presence of RNA
分子名称: Protein VTS1
著者Edwards, T.A, Butterwick, J.A, Palmer, A.G, Aggarwal, A.K.
登録日2005-12-15
公開日2006-01-24
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution Structure of the Vts1 SAM Domain in the Presence of RNA.
J.Mol.Biol., 356, 2006
6LH8
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BU of 6lh8 by Molmil
Structure of aerolysin-like protein (Bombina maxima)
分子名称: aerolysin-like protein
著者Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
登録日2019-12-07
公開日2020-06-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
6LHZ
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BU of 6lhz by Molmil
Structure of aerolysin-like protein (Bombina maxima)
分子名称: aerolysin-like protein
著者Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
登録日2019-12-10
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
6DUV
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BU of 6duv by Molmil
Crystal structure of the second bromodomain of human BRD4 in complex with MS417 inhibitor
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
著者Babault, N, Zhou, M.M.
登録日2018-06-22
公開日2019-06-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of Bound Water Molecules in Differential Recognition of Di-Acetylated Histone Peptides by the BRD4 Bromodomains
To be published
4NUC
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BU of 4nuc by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with MS435 inhibitor
分子名称: 1,2-ETHANEDIOL, 4-[(E)-(4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Plotnikov, A.N, Joshua, J, Zhou, M.-M.
登録日2013-12-03
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains
J.Med.Chem., 56, 2013
4X3K
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BU of 4x3k by Molmil
Crystal structure of chromobox homolog 7 (CBX7) chromodomain with H3K27me3 peptide
分子名称: Chromobox protein homolog 7, H3K27me3 peptide, NICKEL (II) ION, ...
著者Ren, C, Zhou, M.M.
登録日2014-12-01
公開日2015-03-04
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
4X3U
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BU of 4x3u by Molmil
Crystal structure of chromobox homolog 7 (CBX7) chromodomain with Suramin
分子名称: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Chromobox protein homolog 7
著者Ren, C, Zhou, M.M.
登録日2014-12-01
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
4X3S
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BU of 4x3s by Molmil
Crystal structure of chromobox homology 7 (CBX7) with SETDB1-1170me3 Peptide
分子名称: CITRIC ACID, Chromobox protein homolog 7, FE (III) ION, ...
著者Ren, C, Plotnikov, A.N, Zhou, M.M.
登録日2014-12-01
公開日2015-03-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
4X3T
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BU of 4x3t by Molmil
Crystal structure of chromobox homolog 7 (CBX7) chromodomain with MS37452
分子名称: 1,2-ETHANEDIOL, 1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone, Chromobox protein homolog 7, ...
著者Ren, C, Jakoncic, J, Zhou, M.M.
登録日2014-12-01
公開日2015-03-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Small-Molecule Modulators of Methyl-Lysine Binding for the CBX7 Chromodomain.
Chem.Biol., 22, 2015
6YF1
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BU of 6yf1 by Molmil
FKBP12 in complex with the BMP potentiator compound 8 at 1.12A resolution
分子名称: (1aR,3R,5S,6R,7S,9R,10R,17aS,20S,21R,22S,25R,25aR)-25-Ethyl-10,22-dihydroxy-20-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-5,7-dimethoxy-1a,3,9,21-tetramethyloctadecahydro-2H-6,10-epoxyoxireno[p]pyrido[2,1-c][1,4]oxazacyclotricosine-11,12,18,24(1aH,14H)-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP1A
著者Kallen, J.
登録日2020-03-25
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF2
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FKBP12 in complex with the BMP potentiator compound 6 at 1.03A resolution
分子名称: (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ...
著者Kallen, J.
登録日2020-03-25
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF0
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FKBP12 in complex with the BMP potentiator compound 9 at 1.55 A resolution
分子名称: 18-HYDROXYASCOMYCIN, Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION
著者Kallen, J.
登録日2020-03-25
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
6YF3
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BU of 6yf3 by Molmil
FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution
分子名称: (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone, CADMIUM ION, CHLORIDE ION, ...
著者Kallen, J.
登録日2020-03-25
公開日2021-03-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Phenotypic screen identifies calcineurin-sparing FK506 analogs as BMP potentiators for treatment of acute kidney injury.
Cell Chem Biol, 28, 2021
1HZM
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BU of 1hzm by Molmil
STRUCTURE OF ERK2 BINDING DOMAIN OF MAPK PHOSPHATASE MKP-3: STRUCTURAL INSIGHTS INTO MKP-3 ACTIVATION BY ERK2
分子名称: DUAL SPECIFICITY PROTEIN PHOSPHATASE 6
著者Farooq, A, Zhou, M.-M.
登録日2001-01-25
公開日2002-01-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of ERK2 binding domain of MAPK phosphatase MKP-3: structural insights into MKP-3 activation by ERK2.
Mol.Cell, 7, 2001
8TWC
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BU of 8twc by Molmil
Acinetobacter phage AP205 T=3 VLP
分子名称: Coat protein
著者Meng, R, Xing, Z, Zhang, J.
登録日2023-08-20
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
8TVA
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BU of 8tva by Molmil
Outer Mat-T4P complex
分子名称: Fimbrial protein, Maturation protein
著者Meng, R, Xing, Z, Thongchol, J, Zhang, J.
登録日2023-08-17
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (8.55 Å)
主引用文献Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024

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