5O5F
 
 | | Crystal structure of the human BRPF1 bromodomain in complex with BZ038 | | Descriptor: | 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-06-01 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.302 Å) | | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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5O5H
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5OV8
 | | Crystal structure of the human BRPF1 bromodomain in complex with BZ097 | | Descriptor: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-08-28 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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5OWB
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5OWW
 | | Crystal structure of human BRD4(1) bromodomain in complex with UT22B | | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-09-04 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
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5OVB
 | | Crystal structure of human BRD4(1) bromodomain in complex with DR46 | | Descriptor: | Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-08-28 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
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5OWA
 | | Crystal structure of the human BRPF1 bromodomain in complex with BZ054 | | Descriptor: | Peregrin, ~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-08-31 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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5OWE
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5OWM
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3RO3
 | | crystal structure of LGN/mInscuteable complex | | Descriptor: | CHLORIDE ION, ETHANOL, G-protein-signaling modulator 2, ... | | 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 | | Last modified: | 2024-03-20 | | 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
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3WP1
 | | Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl | | Descriptor: | Disks large homolog 4, Lethal(2) giant larvae protein homolog 2, SULFATE ION | | Authors: | Zhu, J, Shang, Y, Wan, Q, Xia, Y, Chen, J, Du, Q, Zhang, M. | | Deposit date: | 2014-01-08 | | Release date: | 2014-03-19 | | Last modified: | 2014-04-30 | | Method: | X-RAY DIFFRACTION (2.804 Å) | | Cite: | Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
Cell Res., 24, 2014
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3WP0
 | | Crystal structure of Dlg GK in complex with a phosphor-Lgl2 peptide | | Descriptor: | Disks large homolog 4, GLYCEROL, Lethal(2) giant larvae protein homolog 2 | | Authors: | Zhu, J, Shang, Y, Wan, Q, Xia, Y, Chen, J, Du, Q, Zhang, M. | | Deposit date: | 2014-01-08 | | Release date: | 2014-03-19 | | Last modified: | 2014-04-30 | | Method: | X-RAY DIFFRACTION (2.039 Å) | | Cite: | Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
Cell Res., 24, 2014
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7U9V
 | | Integrin alaphIIBbeta3 complex with BMS4-1 | | Descriptor: | (4-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 light chain, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-11 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.25492167 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TMZ
 | | Integrin alaphIIBbeta3 complex with BMS compound 4 | | Descriptor: | (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-20 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.20002 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7TPD
 | | Integrin alaphIIBbeta3 complex with EF5154 | | Descriptor: | (4-{[2-oxo-4-(piperidin-4-yl)piperazin-1-yl]acetyl}phenoxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-01-25 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7U60
 | | Integrin alaphIIBbeta3 complex with cRGDfV | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ... | | Authors: | Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A. | | Deposit date: | 2022-03-03 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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7RJT
 | | Aplysia Slo1 with Barium | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BARIUM ION, BK channel, ... | | Authors: | Zhu, J, Srivastava, S, Cachau, R, Holmgren, M. | | Deposit date: | 2021-07-21 | | Release date: | 2022-06-22 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | CryoEM structure of Aplysia Slo1 with 10 mM Ba2+ at 2.93 A
To Be Published
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7RK6
 | | Aplysia Slo1 with Barium | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, BARIUM ION, BK channel, ... | | Authors: | Zhu, J, Srivastava, S, Cachau, R, Holmgren, M. | | Deposit date: | 2021-07-22 | | Release date: | 2022-06-22 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | CryoEM structure of Aplysia Slo1 with 0 mM Ba2+ at 2.91 A
To Be Published
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5E3G
 | | Crystal structure of the human BRPF1 bromodomain in complex with SEED8 | | Descriptor: | 2-thioxo-2,3,7,9-tetrahydro-1H-purine-6,8-dione, NITRATE ION, Peregrin | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2015-10-02 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 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
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5DYA
 | | Crystal structure of the human BRPF1 bromodomain in complex with SEED5 | | Descriptor: | (2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid, NITRATE ION, Peregrin | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2015-09-24 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 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
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5E3D
 | | Crystal structure of the human BRPF1 bromodomain in complex with SEED7 | | Descriptor: | 2,8-dithioxo-1,2,3,7,8,9-hexahydro-6H-purin-6-one, NITRATE ION, Peregrin | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2015-10-02 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.71 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
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5DY7
 | | Crystal structure of the human BRPF1 bromodomain in complex with SEED4 | | Descriptor: | 7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2015-09-24 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 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
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5DYC
 | | Crystal structure of the human BRPF1 bromodomain in complex with SEED6 | | Descriptor: | 7-bromo-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2015-09-24 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 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
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5EM3
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5EPS
 | | Crystal structure of the human BRPF1 bromodomain in complex with SEED10 | | Descriptor: | 1-methyl-3,4-dihydroquinoxalin-2-one, NITRATE ION, Peregrin | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2015-11-12 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | 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
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