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9BDX
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BU of 9bdx by Molmil
NF-kappaB RelA homo-dimer bound to CG-centric kappaB DNA
Descriptor: DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*GP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*CP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), Transcription factor p65
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BDW
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BU of 9bdw by Molmil
NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA
Descriptor: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ...
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BDV
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BU of 9bdv by Molmil
NF-kappaB RelA homo-dimer bound to TA-centric kappaB DNA
Descriptor: DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), SULFATE ION, ...
Authors:Biswas, T, Shahabi, S, Tsodikov, O.V.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
9BDU
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BU of 9bdu by Molmil
NF-kappaB RelA homo-dimer bound to AT-centric kappaB DNA
Descriptor: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ...
Authors:Biswas, T, Huang, D, Ghosh, G.
Deposit date:2024-04-12
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
8K5R
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BU of 8k5r by Molmil
CDK9/cyclin T1 in complex with KB-0742
Descriptor: (1S,3S)-N3-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, Cyclin-T1, Cyclin-dependent kinase 9
Authors:Zhou, M, Li, H, Gao, H, Trotter, B.W, Freeman, D.
Deposit date:2023-07-24
Release date:2023-12-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.751 Å)
Cite:Discovery of KB-0742, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of CDK9 for MYC-Dependent Cancers.
J.Med.Chem., 66, 2023
8GA2
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BU of 8ga2 by Molmil
Bromodomain of CBP liganded with inhibitor iCBP5
Descriptor: (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-02-22
Release date:2024-02-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8G6T
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BU of 8g6t by Molmil
Bromodomain of CBP liganded with inhibitor iCBP2
Descriptor: (6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, CREB-binding protein, NICKEL (II) ION
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-02-15
Release date:2024-02-21
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8CDK
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BU of 8cdk by Molmil
CAND1 b-hairpin++-SCF-SKP2 CAND1 partly engaged SCF partly rocked
Descriptor: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, E3 ubiquitin-protein ligase RBX1, ...
Authors:Baek, K, Schulman, B.A.
Deposit date:2023-01-31
Release date:2023-04-19
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Systemwide disassembly and assembly of SCF ubiquitin ligase complexes.
Cell, 186, 2023
8CCZ
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BU of 8ccz by Molmil
Crystal structure of human Sirt3 in complex with an inhibiting HIV1 Tat-37-59 peptide
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
Authors:Adolph, R.S, Steegborn, C.
Deposit date:2023-01-28
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein.
Life, 13, 2023
8CCW
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BU of 8ccw by Molmil
Crystal structure of human Sirt3 in complex with an acetylated HIV1 Tat-46-54 substrate peptide
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
Authors:Adolph, R.S, Steegborn, C.
Deposit date:2023-01-27
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein.
Life, 13, 2023
8FXN
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BU of 8fxn by Molmil
Bromodomain of CBP liganded with iCBP7
Descriptor: 1,2-ETHANEDIOL, CREB-binding protein, tert-butyl {(1R,4s)-4-[(5M)-2-[(2S)-1-(3-tert-butylphenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-1-yl]cyclohexyl}carbamate
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-25
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To be published
8FXO
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BU of 8fxo by Molmil
Bromodomain of CBP liganded with iCBP8
Descriptor: (6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, CREB-binding protein
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-25
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FXE
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BU of 8fxe by Molmil
Bromodomain of CBP liganded with iCBP6
Descriptor: (6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-24
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FXA
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BU of 8fxa by Molmil
Bromodomain of CBP liganded with iCBP4
Descriptor: (6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-24
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FVS
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BU of 8fvs by Molmil
Bromodomain of CBP liganded with CCS1477int
Descriptor: 1,2-ETHANEDIOL, Histone acetyltransferase, MAGNESIUM ION, ...
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-19
Release date:2024-01-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FVK
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BU of 8fvk by Molmil
First bromodomain of BRD4 liganded with CCS-1477
Descriptor: (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-19
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FV2
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BU of 8fv2 by Molmil
Bromodomain of CBP liganded with CCS-1477
Descriptor: (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, CREB-binding protein, ...
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-18
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8FUP
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BU of 8fup by Molmil
Bromodomain of CBP liganded with BMS-536924 and CCS-1477
Descriptor: (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one, (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, ...
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-18
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
8FVF
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BU of 8fvf by Molmil
Bromodomain of EP300 liganded with CCS-1477
Descriptor: (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one, 1,2-ETHANEDIOL, Histone acetyltransferase p300, ...
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2023-01-18
Release date:2024-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Group 3 medulloblastoma transcriptional networks collapse under domain specific EP300/CBP inhibition.
Nat Commun, 15, 2024
8I0L
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BU of 8i0l by Molmil
Structure of CDK9/cyclin T1 in complex with inhibitor
Descriptor: 2-[(4-azanylcyclohexyl)amino]-7-cyclopentyl-~{N},~{N}-dimethyl-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-T1, Cyclin-dependent kinase 9
Authors:Jiang, C, Ye, Y, Huang, Y.
Deposit date:2023-01-11
Release date:2024-01-24
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of CDK9/cyclin T1 in complex with inhibitor
To Be Published
8HBM
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BU of 8hbm by Molmil
Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA
Descriptor: Bile acid receptor, DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*AP*TP*GP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*CP*CP*GP*AP*GP*GP*TP*CP*AP*TP*TP*GP*AP*CP*CP*TP*CP*G)-3'), ...
Authors:Jiang, L, Chen, Y.
Deposit date:2022-10-29
Release date:2023-06-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis of the farnesoid X receptor/retinoid X receptor heterodimer on inverted repeat DNA.
Comput Struct Biotechnol J, 21, 2023
8HAG
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BU of 8hag by Molmil
Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 1 (3.2 angstrom resolution)
Descriptor: DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
8HAH
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BU of 8hah by Molmil
Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 2 (3.9 angstrom resolution)
Descriptor: DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
8HAI
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BU of 8hai by Molmil
Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 1 (4.7 angstrom resolution)
Descriptor: DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
8HAJ
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BU of 8haj by Molmil
Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 2 (4.8 angstrom resolution)
Descriptor: DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T.
Deposit date:2022-10-26
Release date:2023-05-17
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023

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PDB entries from 2024-09-18

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