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5EWW
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BU of 5eww by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED21
Descriptor: NITRATE ION, Peregrin, ~{N}-[(2~{R})-butan-2-yl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Authors:Zhu, J, Wiedmer, L, Caflisch, A.
Deposit date:2015-11-21
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with SEED21
To Be Published
5EWH
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BU of 5ewh by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED19
Descriptor: NITRATE ION, Peregrin, isoquinolin-5-ol
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-11-20
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 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
5EWC
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BU of 5ewc by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED17
Descriptor: NITRATE ION, Peregrin, ethyl (2~{R})-2-methyl-3-oxidanylidene-2,4-dihydro-1~{H}-quinoxaline-6-carboxylate
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-11-20
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 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
5EWV
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BU of 5ewv by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED20
Descriptor: 1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline, NITRATE ION, Peregrin
Authors:Zhu, J, Wiedmer, L, Caflisch, A.
Deposit date:2015-11-21
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with SEED20
To Be Published
5ETB
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BU of 5etb by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED13
Descriptor: 1-(7-methyl-1~{H}-indol-3-yl)ethanone, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-11-17
Release date:2016-05-25
Last modified:2024-01-10
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
6TS3
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BU of 6ts3 by Molmil
EF-hands 3 and 4 of alpha-actinin in complex with CaMKII regulatory segment
Descriptor: ACE-ASN-ALA-ARG-ARG-LYS-LEU-LYS-GLY-ALA-ILE-LEU-THR-THR-MET-LEU-ALA-THR-ARG-ASN-PHE, ACETYL GROUP, Alpha-actinin-2
Authors:Zhu, J, Gold, M.
Deposit date:2019-12-19
Release date:2021-01-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:EF-hands 3 and 4 of alpha-actinin in complex with CaMKII regulatory segment
To Be Published
5EM3
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BU of 5em3 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED9
Descriptor: NITRATE ION, Peregrin, quinolin-5-ol
Authors:Zhu, J, Caflisch, A.
Deposit date:2015-11-05
Release date:2016-06-08
Last modified:2024-01-10
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
5EPS
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BU of 5eps by Molmil
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
5EQ1
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BU of 5eq1 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED12
Descriptor: 5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE, 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 (1.55 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
5OWE
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BU of 5owe by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
Descriptor: 1,3-bis(oxidanyl)benzo[c]chromen-6-one, NITRATE ION, Peregrin
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2017-08-31
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
To Be Published
5OWA
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BU of 5owa by Molmil
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
5O4S
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BU of 5o4s by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ135
Descriptor: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-05-30
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5A
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BU of 5o5a by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ032
Descriptor: 1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-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 (1.6 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O97
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BU of 5o97 by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
Descriptor: (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Zhu, J, Marchand, J.R, Caflisch, A.
Deposit date:2017-06-15
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
To Be Published
5O55
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BU of 5o55 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ047
Descriptor: NITRATE ION, Peregrin, ~{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:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O4T
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BU of 5o4t by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ061
Descriptor: 1,4-dimethylquinoxaline-2,3-dione, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-05-30
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5F
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BU of 5o5f by Molmil
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
5O5H
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BU of 5o5h by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ053
Descriptor: NITRATE ION, Peregrin, ~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OV8
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BU of 5ov8 by Molmil
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
3RO3
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BU of 3ro3 by Molmil
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
5OWB
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BU of 5owb by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
Descriptor: 4-methyl-6-oxidanyl-1-benzofuran-3-one, NITRATE ION, Peregrin
Authors:Zhu, J, Spiliotopoulos, D, Caflisch, A.
Deposit date:2017-08-31
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
To Be Published
4HTX
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BU of 4htx by Molmil
Crystal structure of PDE2 catalytic domain in complex with BAY60-7550
Descriptor: 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Zhu, J, Huang, Q.
Deposit date:2012-11-02
Release date:2013-08-28
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:X-ray Crystal Structure of Phosphodiesterase 2 in Complex with a Highly Selective, Nanomolar Inhibitor Reveals a Binding-Induced Pocket Important for Selectivity.
J.Am.Chem.Soc., 135, 2013
4HTZ
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BU of 4htz by Molmil
Crystal structure of PDE2 catalytic domain in space group P1
Descriptor: MAGNESIUM ION, ZINC ION, cGMP-dependent 3',5'-cyclic phosphodiesterase
Authors:Zhu, J, Huang, Q.
Deposit date:2012-11-02
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray Crystal Structure of Phosphodiesterase 2 in Complex with a Highly Selective, Nanomolar Inhibitor Reveals a Binding-Induced Pocket Important for Selectivity.
J.Am.Chem.Soc., 135, 2013
5YPR
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BU of 5ypr by Molmil
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
Descriptor: Disks large homolog 4, Synthesized GK inhibitor
Authors:Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M.
Deposit date:2017-11-02
Release date:2018-03-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
7VS4
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BU of 7vs4 by Molmil
Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex
Descriptor: DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ...
Authors:Zhu, J, Gao, P.
Deposit date:2021-10-25
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022

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