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8F86
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BU of 8f86 by Molmil
SIRT6 bound to an H3K9Ac nucleosome
Descriptor: DNA (148-MER), Histone H2A type 1, Histone H2B, ...
Authors:Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L.
Deposit date:2022-11-21
Release date:2023-04-05
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation.
J.Am.Chem.Soc., 145, 2023
5KJ2
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BU of 5kj2 by Molmil
The novel p300/CBP inhibitor A-485 uncovers a unique mechanism of action to target AR in castrate resistant prostate cancer
Descriptor: Histone acetyltransferase p300, N-[(4-fluorophenyl)methyl]-2-{(1R)-5-[(methylcarbamoyl)amino]-2',4'-dioxo-2,3-dihydro-3'H-spiro[indene-1,5'-[1,3]oxazolidin]-3'-yl}-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide, SODIUM ION
Authors:Jakob, C.G, Qiu, W, Edalji, R.P, Sun, C.
Deposit date:2016-06-17
Release date:2017-09-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours.
Nature, 550, 2017
7LJE
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BU of 7lje by Molmil
Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases
Descriptor: 2-[4-[(3'R,4S)-3'-fluoro-1-[2-[(4-fluorophenyl)methyl-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]amino]-2-oxo-ethyl]-2,5-dioxo-spiro[imidazolidine-4,1'-indane]-5'-yl]pyrazol-1-yl]-N-methyl-acetamide, Histone acetyltransferase p300
Authors:Jakob, C.G.
Deposit date:2021-01-29
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.607 Å)
Cite:Discovery of spirohydantoins as selective, orally bioavailable inhibitors of p300/CBP histone acetyltransferases.
Bioorg.Med.Chem.Lett., 39, 2021
8Q1H
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BU of 8q1h by Molmil
LSD1 Y391K-CoREST bound to Histone H3 N-terminal tail
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
Authors:Barone, M, Mattevi, A.
Deposit date:2023-07-31
Release date:2024-05-15
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
8Q1G
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BU of 8q1g by Molmil
LSD1-CoREST bound to Acetylated K14 of Histone H3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
Authors:Barone, M, Mattevi, A.
Deposit date:2023-07-31
Release date:2024-05-15
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
8Q1J
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BU of 8q1j by Molmil
LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ...
Authors:Barone, M, Mattevi, A.
Deposit date:2023-07-31
Release date:2024-05-15
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
6NCT
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BU of 6nct by Molmil
Structure of p110alpha/niSH2 - vector data collection
Descriptor: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION, ...
Authors:Miller, M.S, Maheshwari, S, Amzel, L.M, Gabelli, S.B.
Deposit date:2018-12-12
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCK
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BU of 6nck by Molmil
Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM)
Descriptor: COPPER (II) ION, NICKEL (II) ION, Peptidyl-glycine alpha-amidating monooxygenase
Authors:Miller, M.S, Maheshwari, S, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCI
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BU of 6nci by Molmil
Crystal structure of CDP-Chase: Vector data collection
Descriptor: D-ribose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Miller, M.S, Shi, W, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
6NCH
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BU of 6nch by Molmil
Crystal structure of CDP-Chase: Raster data collection
Descriptor: D-ribose, PHOSPHATE ION, Phosphohydrolase (MutT/nudix family protein), ...
Authors:Miller, M.S, Shi, W, Gabelli, S.B.
Deposit date:2018-12-11
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Getting the Most Out of Your Crystals: Data Collection at the New High-Flux, Microfocus MX Beamlines at NSLS-II.
Molecules, 24, 2019
3Q35
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BU of 3q35 by Molmil
Structure of the Rtt109-AcCoA/Vps75 complex and implications for chaperone-mediated histone acetylation
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, Histone acetyltransferase, ...
Authors:Tang, Y, Yuan, H, Meeth, K, Marmorstein, R.
Deposit date:2010-12-21
Release date:2011-02-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
3Q33
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BU of 3q33 by Molmil
Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, HISTONE H3, ...
Authors:Tang, Y, Yuan, H, Meeth, K, Marmorstein, R.
Deposit date:2010-12-21
Release date:2011-02-02
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
5LY1
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BU of 5ly1 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II) AND Macrocyclic PEPTIDE Inhibitor CP2 (13-mer)
Descriptor: CHLORIDE ION, CP2, GLYCEROL, ...
Authors:King, O.N.F, Chowdhury, R, Kawamura, A, Schofield, C.J.
Deposit date:2016-09-23
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
5LY2
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BU of 5ly2 by Molmil
JMJD2A/ KDM4A COMPLEXED WITH NI(II), NOG AND Macrocyclic PEPTIDE Inhibitor CP2_R6Kme3 (13-mer)
Descriptor: CHLORIDE ION, CP2_R6Kme3, GLYCEROL, ...
Authors:Chowdhury, R, Madden, S.K, Hopkinson, R, Schofield, C.J.
Deposit date:2016-09-23
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Highly selective inhibition of histone demethylases by de novo macrocyclic peptides.
Nat Commun, 8, 2017
3QM0
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BU of 3qm0 by Molmil
Crystal structure of RTT109-AC-CoA complex
Descriptor: ACETYL COENZYME *A, Histone acetyltransferase RTT109, MERCURY (II) ION
Authors:Tang, Y, Marmorstein, R.
Deposit date:2011-02-03
Release date:2011-02-16
Last modified:2017-08-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Fungal Rtt109 histone acetyltransferase is an unexpected structural homolog of metazoan p300/CBP.
Nat.Struct.Mol.Biol., 15, 2008
3BCE
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BU of 3bce by Molmil
Crystal structure of the ErbB4 kinase
Descriptor: DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, Receptor tyrosine-protein kinase erbB-4, ...
Authors:Qiu, C.
Deposit date:2007-11-12
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanism of Activation and Inhibition of the HER4/ErbB4 Kinase.
Structure, 16, 2008
3BBW
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BU of 3bbw by Molmil
crystal structure of the ErbB4 kinase in its inactive conformation
Descriptor: Receptor tyrosine-protein kinase erbB-4
Authors:Qiu, C.
Deposit date:2007-11-11
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4 Å)
Cite:Mechanism of Activation and Inhibition of the HER4/ErbB4 Kinase.
Structure, 16, 2008
3BBT
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BU of 3bbt by Molmil
crystal structure of the ErbB4 kinase in complex with lapatinib
Descriptor: N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE, Receptor tyrosine-protein kinase erbB-4
Authors:Qiu, C.
Deposit date:2007-11-11
Release date:2008-02-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of Activation and Inhibition of the HER4/ErbB4 Kinase.
Structure, 16, 2008
5TJ7
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BU of 5tj7 by Molmil
Structure of WWP2 WW2-2,3-linker-HECT aa 334-398 linked to 485-865
Descriptor: CHLORIDE ION, NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION, ...
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2016-10-03
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
5TJQ
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BU of 5tjq by Molmil
Structure of WWP2 2,3-linker-HECT
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2016-10-04
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
5TJ8
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BU of 5tj8 by Molmil
Structure of WWP2 WW2-2,3-linker-HECT (no WW2 observed)
Descriptor: NEDD4-like E3 ubiquitin-protein ligase WWP2,NEDD4-like E3 ubiquitin-protein ligase WWP2, SODIUM ION
Authors:Chen, Z, Gabelli, S.B.
Deposit date:2016-10-03
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Tunable Brake for HECT Ubiquitin Ligases.
Mol. Cell, 66, 2017
2G2H
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BU of 2g2h by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
Descriptor: 6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Abl Tyrosine
Authors:Levinson, N.M, Kuchment, O.
Deposit date:2006-02-16
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
2G2F
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BU of 2g2f by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
Descriptor: ATP-Peptide Conjugate, Abl Kinase, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
Authors:Levinson, N.M, Kuchment, O.
Deposit date:2006-02-15
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
2G1T
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BU of 2g1t by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
Descriptor: ATP-Peptide Conjugate, MAGNESIUM ION, Proto-oncogene tyrosine-protein kinase ABL1, ...
Authors:Levinson, N.M, Kuchment, O.
Deposit date:2006-02-14
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006
2G2I
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BU of 2g2i by Molmil
A Src-like Inactive Conformation in the Abl Tyrosine Kinase Domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-Peptide Conjugate, Abl Tyrosine Kinase
Authors:Levinson, N.M, Kuchment, O.
Deposit date:2006-02-16
Release date:2006-05-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:A SRC-like inactive conformation in the abl tyrosine kinase domain.
Plos Biol., 4, 2006

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数据于2024-07-24公开中

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