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7ZFN
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BU of 7zfn by Molmil
BRD4 in complex with FragLite24
Descriptor: 4-bromanyl-2-oxidanyl-benzoic acid, Bromodomain-containing protein 4, GLYCEROL
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-04-01
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZAD
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BU of 7zad by Molmil
BRD4 in complex with FragLite12
Descriptor: 4-iodanylbenzamide, GLYCEROL, Isoform C of Bromodomain-containing protein 4
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-22
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZEF
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BU of 7zef by Molmil
BRD4 in complex with FragLite22
Descriptor: (4-bromo-2-methoxyphenyl)methanol, Bromodomain-containing protein 4, GLYCEROL
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-31
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZFO
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BU of 7zfo by Molmil
BRD4 in complex with FragLite28
Descriptor: 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, GLYCEROL, Isoform C of Bromodomain-containing protein 4
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-04-01
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZFT
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BU of 7zft by Molmil
BRD4 in complex with FragLite33
Descriptor: 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-04-01
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZE7
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BU of 7ze7 by Molmil
BRD4 in complex with FragLite21
Descriptor: 5-bromo-2-hydroxybenzonitrile, Bromodomain-containing protein 4, GLYCEROL
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-30
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7Z9W
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BU of 7z9w by Molmil
BRD4 in complex with FragLite1
Descriptor: 4-bromo-1H-pyrazole, GLYCEROL, Isoform C of Bromodomain-containing protein 4
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-21
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.988 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZA8
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BU of 7za8 by Molmil
BRD4 in complex with FragLite6
Descriptor: 4-bromanyl-1~{H}-pyridin-2-one, Isoform C of Bromodomain-containing protein 4
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-22
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7Z9Y
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BU of 7z9y by Molmil
BRD4 in complex with FragLite2
Descriptor: 4-IODOPYRAZOLE, GLYCEROL, Isoform C of Bromodomain-containing protein 4
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-03-21
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7PPX
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BU of 7ppx by Molmil
ATAD2 in complex with FragLite3
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M.
Deposit date:2021-09-15
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QWO
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BU of 7qwo by Molmil
ATAD2 in complex with FragLite6
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-25
Release date:2022-11-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QXT
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BU of 7qxt by Molmil
ATAD2 in complex with FragLite10
Descriptor: 1,2-ETHANEDIOL, 6-bromo-1,3-dihydro-2H-indol-2-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-27
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QU7
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BU of 7qu7 by Molmil
ATAD2 in complex with FragLite16
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1,8-naphthyridine, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-17
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYL
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BU of 7qyl by Molmil
ATAD2 in complex with FragLite23
Descriptor: 1,2-ETHANEDIOL, 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-28
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QX1
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BU of 7qx1 by Molmil
ATAD2 in complex with FragLite7
Descriptor: 1,2-ETHANEDIOL, 4-iodanyl-3~{H}-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-26
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QUK
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BU of 7quk by Molmil
ATAD2 in complex with FragLite1
Descriptor: 1,2-ETHANEDIOL, 4-bromo-1H-pyrazole, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-18
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QUM
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BU of 7qum by Molmil
ATAD2 in complex with FragLite2
Descriptor: 1,2-ETHANEDIOL, 4-IODOPYRAZOLE, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-18
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QYK
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BU of 7qyk by Molmil
ATAD2 in complex with FragLite18
Descriptor: (4-bromanylpyridin-2-yl)methanol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-28
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZM
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BU of 7qzm by Molmil
ATAD2 in complex with FragLite28
Descriptor: 1,2-ETHANEDIOL, 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-01-31
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R05
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BU of 7r05 by Molmil
ATAD2 in complex with PepLite-Ile
Descriptor: (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-01
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R0Y
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BU of 7r0y by Molmil
ATAD2 in complex with PepLite-Glu
Descriptor: (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-02
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZZ
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BU of 7qzz by Molmil
ATAD2 in complex with FragLite31
Descriptor: 1,2-ETHANEDIOL, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-01
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7R00
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BU of 7r00 by Molmil
ATAD2 in complex with FragLite33
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-01
Release date:2022-12-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7QZY
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BU of 7qzy by Molmil
ATAD2 in complex with FragLite29
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one, ATPase family AAA domain-containing protein 2, ...
Authors:Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M.
Deposit date:2022-02-01
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
7ZPC
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BU of 7zpc by Molmil
CDK2 in complex 9K-DOS
Descriptor: Cyclin-dependent kinase 2, ~{N}-(1-methylpyrazol-4-yl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxamide
Authors:Watt, J.E, Martin, M.P, Noble, M.E.N.
Deposit date:2022-04-27
Release date:2023-02-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Build-Couple-Transform: A Paradigm for Lead-like Library Synthesis with Scaffold Diversity.
J.Med.Chem., 65, 2022
<12

 

221051

數據於2024-06-12公開中

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