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7UG5
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BU of 7ug5 by Molmil
Second bromodomain of BRD3 liganded with BMS-536924
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, 1,2-ETHANEDIOL, Bromodomain-containing protein 3
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-23
Release date:2023-04-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
7UGE
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BU of 7uge by Molmil
Bromodomain of CBP liganded with BMS-536924
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, 1,2-ETHANEDIOL, Histone acetyltransferase
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
7UGL
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BU of 7ugl by Molmil
Bromodomain of CBP liganded with BMS-536924 and SGC-CBP30
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, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole, Histone acetyltransferase
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
7UGI
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BU of 7ugi by Molmil
Bromodomain of EP300 liganded with BMS-536924
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, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ...
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
7UG1
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BU of 7ug1 by Molmil
CDK2 liganded with para chloro ANS
Descriptor: 1,2-ETHANEDIOL, 8-(4-chloroanilino)naphthalene-1-sulfonic acid, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Martin, M.
Deposit date:2022-03-23
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Allosteric inhibitors of CDK2
To Be Published
7UGF
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BU of 7ugf by Molmil
First bromodomain of BRD4 liganded with BMS-536924
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, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Schonbrunn, E, Bikowitz, M.
Deposit date:2022-03-24
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural basis of CBP and EP300 interaction with kinase inhibitors
To Be Published
1EYN
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BU of 1eyn by Molmil
Structure of mura liganded with the extrinsic fluorescence probe ANS
Descriptor: 8-ANILINO-1-NAPHTHALENE SULFONATE, GLYCEROL, UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE
Authors:Schonbrunn, E, Eschenburg, S, Luger, K, Kabsch, W, Amrhein, N.
Deposit date:2000-05-07
Release date:2000-06-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for the interaction of the fluorescence probe 8-anilino-1-naphthalene sulfonate (ANS) with the antibiotic target MurA.
Proc.Natl.Acad.Sci.USA, 97, 2000
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
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To Be Published
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
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To Be Published
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
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To Be Published
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
Method:X-RAY DIFFRACTION (1.65 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
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To be published
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
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To be published
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
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
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To Be Published
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
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To be published
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
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
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Group 3 medulloblastoma transcriptional networks are sensitive to EP300/CBP bromodomain inhibition
To be published
1DLG
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BU of 1dlg by Molmil
CRYSTAL STRUCTURE OF THE C115S ENTEROBACTER CLOACAE MURA IN THE UN-LIGANDED STATE
Descriptor: CYCLOHEXYLAMMONIUM ION, PHOSPHATE ION, UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE MURA
Authors:Schonbrunn, E, Eschenburg, S, Krekel, F, Luger, K, Amrhein, N.
Deposit date:1999-12-09
Release date:2000-04-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Role of the loop containing residue 115 in the induced-fit mechanism of the bacterial cell wall biosynthetic enzyme MurA.
Biochemistry, 39, 2000
1G6T
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BU of 1g6t by Molmil
STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE
Descriptor: EPSP SYNTHASE, FORMIC ACID, PHOSPHATE ION, ...
Authors:Schonbrunn, E, Eschenburg, S, Shuttleworth, W, Schloss, J.V, Amrhein, N, Evans, J.N.S, Kabsch, W.
Deposit date:2000-11-07
Release date:2001-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Interaction of the herbicide glyphosate with its target enzyme 5-enolpyruvylshikimate 3-phosphate synthase in atomic detail.
Proc.Natl.Acad.Sci.USA, 98, 2001
1G6S
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BU of 1g6s by Molmil
STRUCTURE OF EPSP SYNTHASE LIGANDED WITH SHIKIMATE-3-PHOSPHATE AND GLYPHOSATE
Descriptor: EPSP SYNTHASE, FORMIC ACID, GLYPHOSATE, ...
Authors:Schonbrunn, E, Eschenburg, S, Shuttleworth, W, Schloss, J.V, Amrhein, N, Evans, J.N.S, Kabsch, W.
Deposit date:2000-11-07
Release date:2001-02-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Interaction of the herbicide glyphosate with its target enzyme 5-enolpyruvylshikimate 3-phosphate synthase in atomic detail.
Proc.Natl.Acad.Sci.USA, 98, 2001
8FP5
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BU of 8fp5 by Molmil
CDK2 liganded with ATP and Mg2+
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-04
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8FOW
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BU of 8fow by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Dinaciclib
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
8FP0
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BU of 8fp0 by Molmil
Ternary complex of CDK2 with small molecule ligands TW8672 and Roscovitine
Descriptor: 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2, ...
Authors:Schonbrunn, E, Sun, L.
Deposit date:2023-01-03
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding.
Nat Commun, 14, 2023
7UUU
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BU of 7uuu by Molmil
First bromodomain of BRDT liganded with compound 2c
Descriptor: 1,2-ETHANEDIOL, Bromodomain testis-specific protein, prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
Authors:Schonbrunn, E, Chan, A.
Deposit date:2022-04-29
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:1,4-Dihydropyridinebutyrolactone-derived ring-opened ester and amide analogs targeting BET bromodomains.
Arch Pharm, 355, 2022

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PDB entries from 2024-03-13

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