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5KU3
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BU of 5ku3 by Molmil
BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
Descriptor: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
Authors:Murray, J.M, Huang, W.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KTU
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BU of 5ktu by Molmil
Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold
Descriptor: 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone, CREB-binding protein, DIMETHYL SULFOXIDE
Authors:Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KTX
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BU of 5ktx by Molmil
CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
Descriptor: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, CREB-binding protein, ...
Authors:Murray, J.M, Noland, C.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KTW
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BU of 5ktw by Molmil
CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide)
Descriptor: 1,2-ETHANEDIOL, 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide, CREB-binding protein
Authors:Murray, J.M, Boenig, G.
Deposit date:2016-07-12
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.087 Å)
Cite:Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
4NTF
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BU of 4ntf by Molmil
Mus Musculus LTC4 synthase in S-hexyl-GSH complex form
Descriptor: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-12-02
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:To be published
To be Published
4NTB
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BU of 4ntb by Molmil
Mus Musculus LTC4 synthase in GSH complex form
Descriptor: GLUTATHIONE, Leukotriene C4 synthase, NICKEL (II) ION, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-12-02
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mus Musculus LTC4 synthase in GSH complex form
To be Published
4NTA
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BU of 4nta by Molmil
Mus Musculus LTC4 synthase in apo form
Descriptor: Leukotriene C4 synthase, PALMITIC ACID, SULFATE ION
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-12-02
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mus Musculus LTC4 synthase in apo form
To be Published
7UJD
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BU of 7ujd by Molmil
PSMD2 Structure bound to MC1 and Fab8/14
Descriptor: 26S proteasome non-ATPase regulatory subunit 2, ACY-PHE-PRO-ASP-VAL-SAR-LEU-HIS-ARG-TYR-TRP-GLY-TRP-ASP-CYS-GLY-NH2, Fab 14 HC CDRs, ...
Authors:Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C.
Deposit date:2022-03-30
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
7UIH
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BU of 7uih by Molmil
PSMD2 Structure
Descriptor: 26S proteasome non-ATPase regulatory subunit 2, Fab 14 HC CDRs, Fab 14 LC CDRs, ...
Authors:Johnson, M.C, Bashore, C, Ciferri, C, Dueber, E.C.
Deposit date:2022-03-29
Release date:2023-01-11
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Targeted degradation via direct 26S proteasome recruitment.
Nat.Chem.Biol., 19, 2023
4MS6
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BU of 4ms6 by Molmil
Human Leukotriene A4 Hydrolase in complex with Pro-Gly-Pro analogue
Descriptor: 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, ACETIC ACID, Leukotriene A-4 hydrolase, ...
Authors:Stsiapanava, A, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-09-18
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Binding of Pro-Gly-Pro at the active site of leukotriene A4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor.
Proc.Natl.Acad.Sci.USA, 111, 2014
4JCZ
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BU of 4jcz by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-02-22
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4J7T
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BU of 4j7t by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: D-gamma-glutamyl-S-(4-phenylbutyl)-L-cysteinylglycine, Leukotriene C4 synthase, NICKEL (II) ION, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-02-14
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.203 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4J7Y
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BU of 4j7y by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: D-gamma-glutamyl-(Z)-N-(carboxymethylidene)-S-[(2R)-2-hydroxy-4-phenylbutyl]-L-cysteinamide, Leukotriene C4 synthase, NICKEL (II) ION, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-02-14
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4JRZ
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BU of 4jrz by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-03-22
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4JC7
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BU of 4jc7 by Molmil
Human LTC4 synthase in complex with product analogs - implications for enzyme catalysis
Descriptor: Leukotriene C4 synthase, NICKEL (II) ION, PALMITIC ACID, ...
Authors:Niegowski, D, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-02-21
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: IMPLICATIONS FOR THE ENZYME MECHANISM.
J.Biol.Chem., 289, 2014
4L2L
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BU of 4l2l by Molmil
Human Leukotriene A4 Hydrolase complexed with ligand 4-(4-benzylphenyl)thiazol-2-amine
Descriptor: 4-(4-benzylphenyl)-1,3-thiazol-2-amine, ACETATE ION, Leukotriene A-4 hydrolase, ...
Authors:Stsiapanava, A, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2013-06-04
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Binding of Pro-Gly-Pro at the active site of leukotriene A4 hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor.
Proc.Natl.Acad.Sci.USA, 111, 2014
7KHL
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BU of 7khl by Molmil
BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate)
Descriptor: Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate
Authors:Murray, J.M.
Deposit date:2020-10-21
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.286 Å)
Cite:Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
7KHH
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BU of 7khh by Molmil
Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide)
Descriptor: Bromodomain-containing protein 4, Elongin-B, Elongin-C, ...
Authors:Murray, J.M.
Deposit date:2020-10-21
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.281 Å)
Cite:Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
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