Author results

3RO3
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CRYSTAL STRUCTURE OF LGN/MINSCUTEABLE COMPLEX
Descriptor:G-protein-signaling modulator 2, peptide of Protein inscuteable homolog, GLYCEROL, ...
Authors:Zhu, J., Wen, W., Shang, Y., Wei, Z., Pan, Z., Wang, W., Zhang, M.
Deposit date:2011-04-25
Release date:2012-03-07
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
5EP7
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN CREBBP IN COMPLEX WITH UN32
Descriptor:CREB-binding protein, 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid
Authors:Dong, J., Caflisch, A.
Deposit date:2015-11-11
Release date:2016-11-23
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.198 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5MMG
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH UT07C
Descriptor:CREB-binding protein, 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone
Authors:Zhu, J., Caflisch, A.
Deposit date:2016-12-09
Release date:2017-12-20
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5MPN
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH FA26
Descriptor:CREB-binding protein, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, 1,2-ETHANEDIOL
Authors:Zhu, J., Caflisch, A.
Deposit date:2016-12-16
Release date:2018-01-17
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5MWZ
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CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ073
Descriptor:Peregrin, ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-01-20
Release date:2018-02-14
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OWK
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH DSPB2A002
Descriptor:CREB-binding protein, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
Authors:Zhu, J., Spiliotopoulos, D., Caflisch, A.
Deposit date:2017-09-01
Release date:2018-08-29
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5WXH
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CRYSTAL STRUCTURE OF TAF3 PHD FINGER BOUND TO H3K4ME3
Descriptor:Transcription initiation factor TFIID subunit 3, Histone H3K4me3, ZINC ION
Authors:Zhao, S., Huang, J., Li, H.
Deposit date:2017-01-07
Release date:2017-08-16
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (1.297 Å)
Cite:Kinetic and high-throughput profiling of epigenetic interactions by 3D-carbene chip-based surface plasmon resonance imaging technology
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5ENG
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN CREBBP IN COMPLEX WITH UP39
Descriptor:CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate
Authors:Dong, J., Caflisch, A.
Deposit date:2015-11-09
Release date:2016-11-23
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5O97
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CRYSTAL STRUCTURE OF HUMAN BRD4(1) BROMODOMAIN IN COMPLEX WITH JRMBR4106
Descriptor:Bromodomain-containing protein 4, (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one, 1,2-ETHANEDIOL
Authors:Zhu, J., Marchand, J.R., Caflisch, A.
Deposit date:2017-06-15
Release date:2018-06-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
To Be Published
5O5F
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CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ038
Descriptor:Peregrin, 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5ETB
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CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED13
Descriptor:Peregrin, 1-(7-methyl-1~{H}-indol-3-yl)ethanone, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-17
Release date:2016-05-25
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5D7X
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CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH XZ08
Descriptor:Peregrin, NITRATE ION, 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-08-14
Release date:2016-05-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J.Med.Chem., 59, 2016
5MME
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXD WITH US46C
Descriptor:CREB-binding protein, dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate
Authors:Zhu, J., Caflisch, A.
Deposit date:2016-12-09
Release date:2017-12-20
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5MQG
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH CBP015
Descriptor:CREB-binding protein, 1-(4-azanyl-3-methoxy-phenyl)ethanone
Authors:Zhu, J., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-12-20
Release date:2017-04-19
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
6FQO
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXD WITH DT29
Descriptor:CREB-binding protein, ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide, 1,2-ETHANEDIOL
Authors:Zhu, J., Caflisch, A.
Deposit date:2018-02-14
Release date:2018-08-29
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
4HBQ
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CRYSTAL STRUCTURE OF A LOOP DELETED MUTANT OF HUMAN MADCAM-1 D1D2
Descriptor:Mucosal addressin cell adhesion molecule 1, SULFATE ION, GLYCEROL, ...
Authors:Springer, T., Yu, Y., Zhu, J.
Deposit date:2012-09-28
Release date:2013-01-23
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Different Fold with an Integrin-Binding Loop Specialized for Flexibility in Mucosal Addressin Cell Adhesion Molecule-1
TO BE PUBLISHED
5EM3
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CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED9
Descriptor:Peregrin, quinolin-5-ol, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-05
Release date:2016-06-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5ETD
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CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED14
Descriptor:Peregrin, 1-(1~{H}-indol-3-yl)ethanone, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-17
Release date:2016-05-25
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5MPZ
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH CBP007
Descriptor:CREB-binding protein, methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
Authors:Zhu, J., Spiliotopoulos, D., Caflisch, A.
Deposit date:2016-12-19
Release date:2017-05-10
Last modified:2017-05-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Virtual screen to NMR (VS2NMR): Discovery of fragment hits for the CBP bromodomain.
Bioorg. Med. Chem. Lett., 27, 2017
6FQU
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CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXD WITH DR09
Descriptor:CREB-binding protein, 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone
Authors:Zhu, J., Caflisch, A.
Deposit date:2018-02-14
Release date:2018-08-29
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5EV9
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CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED15
Descriptor:Peregrin, ~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-19
Release date:2016-06-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EVA
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CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED16
Descriptor:Peregrin, ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-19
Release date:2016-06-08
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5O55
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CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH BZ047
Descriptor:Peregrin, NITRATE ION, ~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
Authors:Zhu, J., Caflisch, A.
Deposit date:2017-05-31
Release date:2018-06-13
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5EPS
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CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX WITH SEED10
Descriptor:Peregrin, 1-methyl-3,4-dihydroquinoxalin-2-one, NITRATE ION
Authors:Zhu, J., Caflisch, A.
Deposit date:2015-11-12
Release date:2016-05-25
Last modified:2016-06-22
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EIC
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CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN CREBBP IN COMPLEX WITH AYC
Descriptor:CREB-binding protein, 1,2-ETHANEDIOL, 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid
Authors:Dong, J., Caflisch, A.
Deposit date:2015-10-29
Release date:2016-11-16
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018