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2YEM
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BU of 2yem by Molmil
Crystal Structure of the Second Bromodomain of Human Brd4 with the inhibitor GW841819X
Descriptor: BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C.W.
Deposit date:2011-03-25
Release date:2011-06-15
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains.
J.Med.Chem., 54, 2011
6ZB0
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BU of 6zb0 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-benzyl-N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2, ...
Authors:Chung, C.
Deposit date:2020-06-06
Release date:2020-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
J.Med.Chem., 63, 2020
6ZB1
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BU of 6zb1 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK620
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide
Authors:Chung, C.
Deposit date:2020-06-06
Release date:2020-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
J.Med.Chem., 63, 2020
6Z7F
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BU of 6z7f by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ...
Authors:Chung, C.
Deposit date:2020-05-30
Release date:2020-07-29
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.605 Å)
Cite:Design and Synthesis of a Highly Selective andIn Vivo-Capable Inhibitor of the Second Bromodomain of the Bromodomain and Extra Terminal Domain Family of Proteins.
J.Med.Chem., 63, 2020
6ZB2
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BU of 6zb2 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK549
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, DI(HYDROXYETHYL)ETHER, ...
Authors:Chung, C.
Deposit date:2020-06-06
Release date:2020-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.282 Å)
Cite:The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
J.Med.Chem., 63, 2020
6ZB3
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BU of 6zb3 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK620
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, PENTAETHYLENE GLYCOL, ...
Authors:Chung, C.
Deposit date:2020-06-06
Release date:2020-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.419 Å)
Cite:The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
J.Med.Chem., 63, 2020
7A9U
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BU of 7a9u by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
Descriptor: 1,2-ETHANEDIOL, 3-(3-(but-3-yn-1-yl)-3H-diazirin-3-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2020-09-02
Release date:2020-10-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:A Photoaffinity-Based Fragment-Screening Platform for Efficient Identification of Protein Ligands.
Angew.Chem.Int.Ed.Engl., 59, 2020
7P4S
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BU of 7p4s by Molmil
BROMODOMAIN OF HUMAN TAF1 (2) WITH naphthyridinone compound
Descriptor: 8-[[1-(3-azanylpropyl)piperidin-4-yl]amino]-5-[5-(hydroxymethyl)pyridin-3-yl]-3-methyl-1~{H}-1,7-naphthyridin-2-one, Isoform 2a of Transcription initiation factor TFIID subunit 1
Authors:Chung, C.
Deposit date:2021-07-13
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Optimization of Naphthyridones into Selective TATA-Binding Protein Associated Factor 1 (TAF1) Bromodomain Inhibitors.
Acs Med.Chem.Lett., 12, 2021
2ZB1
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BU of 2zb1 by Molmil
Crystal structure of P38 in complex with biphenyl amide inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 14, N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide
Authors:Somers, D.O.
Deposit date:2007-10-13
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
2ZAZ
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BU of 2zaz by Molmil
Crystal structure of P38 in complex with 4-anilino quinoline inhibitor
Descriptor: 4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde, ACETATE ION, GLYCEROL, ...
Authors:Somers, D.O.
Deposit date:2007-10-12
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode
Bioorg.Med.Chem.Lett., 18, 2008
4C66
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BU of 4c66 by Molmil
Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains
Descriptor: 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O.
Deposit date:2013-09-17
Release date:2013-10-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains.
J.Med.Chem., 56, 2013
4C67
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BU of 4c67 by Molmil
Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains
Descriptor: 1,2-ETHANEDIOL, 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O.
Deposit date:2013-09-17
Release date:2013-10-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains.
J.Med.Chem., 56, 2013
4ALG
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BU of 4alg by Molmil
N-Terminal Bromodomain of Human BRD2 With IBET-151
Descriptor: 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, ACETATE ION, BROMODOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O.
Deposit date:2012-03-03
Release date:2012-07-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22, 2012
4AKN
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BU of 4akn by Molmil
N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 2, ...
Authors:Chung, C, Lamotte, Y, Donche, F, Bouillot, A, Mirguet, O.
Deposit date:2012-02-26
Release date:2012-07-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Identification of a Novel Series of Bet Family Bromodomain Inhibitors: Binding Mode and Profile of I-Bet151 (Gsk1210151A).
Bioorg.Med.Chem.Lett., 22, 2012

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