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8B96
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BU of 8b96 by Molmil
Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5464
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Carrasco, K, Betzi, S, Morelli, X.
Deposit date:2022-10-05
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.338 Å)
Cite:Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5464
To Be Published
8B98
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BU of 8b98 by Molmil
Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5483
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Carrasco, K, Betzi, S, Morelli, X.
Deposit date:2022-10-05
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.495 Å)
Cite:Crystal structure of the human BRD4-BD1 bromodomain in complex with the inhibitor CRCM5464
To Be Published
7R2M
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BU of 7r2m by Molmil
SYNJ2BP complex with a synthetic Vangl2 peptide (9mer).
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, GLYCEROL, ...
Authors:Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
Deposit date:2022-02-04
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published
7R2T
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BU of 7r2t by Molmil
SYNJ2BP complex with a phosphorylated Vangl2 peptide at the P-1 position.
Descriptor: CALCIUM ION, GLYCEROL, Synaptojanin-2-binding protein,Annexin, ...
Authors:Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
Deposit date:2022-02-05
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published
8AEL
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BU of 8ael by Molmil
SYNJ2BP complex with a synthetic Vangl2 peptide (3mer).
Descriptor: CALCIUM ION, GLY-GLY-GLY-THR-SER-VAL, GLYCEROL, ...
Authors:Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G.
Deposit date:2022-07-13
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published
7Q5O
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BU of 7q5o by Molmil
Bromodomain-containing 2 BD2 in complex with the inhibitor CRCM5484
Descriptor: 1,2-ETHANEDIOL, 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide, Bromodomain-containing protein 2
Authors:Carrasco, K, Betzi, S, Morelli, X.
Deposit date:2021-11-04
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.519 Å)
Cite:CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation
J.Med.Chem., 65, 2022
7Q3F
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BU of 7q3f by Molmil
Bromodomain-containing 4 BD1 in complex with the inhibitor CRCM5484
Descriptor: 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide, Bromodomain-containing protein 4
Authors:Carrasco, K, Betzi, S, Morelli, X.
Deposit date:2021-10-27
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation
J.Med.Chem., 65, 2022
6FO5
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BU of 6fo5 by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
Authors:Raux, B, Betzi, S.
Deposit date:2018-02-06
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018
6FNX
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BU of 6fnx by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR F1
Descriptor: 1,2-ETHANEDIOL, 7-ethyl-3-(phenylmethyl)purine-2,6-dione, Bromodomain-containing protein 4
Authors:Raux, B, Betzi, S.
Deposit date:2018-02-05
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018

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