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5N2M
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BU of 5n2m by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
5N2L
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BU of 5n2l by Molmil
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, SULFATE ION, ...
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
To Be Published
5EK9
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BU of 5ek9 by Molmil
Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor
Descriptor: Bromodomain-containing protein 2, propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate
Authors:Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Picaud, S, Fedorov, O, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2015-11-03
Release date:2016-11-16
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Exploiting a water network to achieve enthalpy-driven, bromodomain-selective BET inhibitors.
Bioorg. Med. Chem., 26, 2018
6DDI
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BU of 6ddi by Molmil
Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2, ...
Authors:White, S.W, Yun, M.
Deposit date:2018-05-10
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
6DDJ
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BU of 6ddj by Molmil
Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2
Authors:White, S.W, Yun, M.
Deposit date:2018-05-10
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
7KAY
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BU of 7kay by Molmil
Crystal structure of OhyA(E82A)-18:1 complex from Staphylococcus aureus
Descriptor: GLYCEROL, OLEIC ACID, Oleate hydratase, ...
Authors:Radka, C.D, Rock, C.O.
Deposit date:2020-10-01
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and mechanism of Staphylococcus aureus oleate hydratase (OhyA).
J.Biol.Chem., 296, 2021
7KAX
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BU of 7kax by Molmil
Crystal structure of OhyA(E82A) from Staphylococcus aureus
Descriptor: Oleate hydratase
Authors:Radka, C.D, Rock, C.O.
Deposit date:2020-10-01
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.514 Å)
Cite:Structure and mechanism of Staphylococcus aureus oleate hydratase (OhyA).
J.Biol.Chem., 296, 2021
7KAV
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BU of 7kav by Molmil
Crystal structure of OhyA-PEG400 complex from Staphylococcus aureus
Descriptor: GLYCEROL, HEXAETHYLENE GLYCOL, Oleate hydratase, ...
Authors:Radka, C.D, Rock, C.O.
Deposit date:2020-10-01
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:Structure and mechanism of Staphylococcus aureus oleate hydratase (OhyA).
J.Biol.Chem., 296, 2021
7KAZ
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BU of 7kaz by Molmil
Crystal structure of OhyA(E82A)-18:1/h18:0-FAD complex from Staphylococcus aureus
Descriptor: (10R)-10-hydroxyoctadecanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, OLEIC ACID, ...
Authors:Radka, C.D, Rock, C.O.
Deposit date:2020-10-01
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.854 Å)
Cite:Structure and mechanism of Staphylococcus aureus oleate hydratase (OhyA).
J.Biol.Chem., 296, 2021
7KAW
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BU of 7kaw by Molmil
Crystal structure of OhyA-PEG400-FAD complex from Staphylococcus aureus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Radka, C.D, Rock, C.O.
Deposit date:2020-10-01
Release date:2021-01-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Structure and mechanism of Staphylococcus aureus oleate hydratase (OhyA).
J.Biol.Chem., 296, 2021

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