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PDB: 318 件
5O5A
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BU of 5o5a by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ032
分子名称: 1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2017-06-01
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5YPR
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BU of 5ypr by Molmil
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
分子名称: Disks large homolog 4, Synthesized GK inhibitor
著者Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M.
登録日2017-11-02
公開日2018-03-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.349 Å)
主引用文献Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
5OV8
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BU of 5ov8 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ097
分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
著者Zhu, J, Caflisch, A.
登録日2017-08-28
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OWB
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BU of 5owb by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
分子名称: 4-methyl-6-oxidanyl-1-benzofuran-3-one, NITRATE ION, Peregrin
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-08-31
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
To Be Published
5OWW
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BU of 5oww by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with UT22B
分子名称: Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-09-04
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
5OVB
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BU of 5ovb by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with DR46
分子名称: Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-08-28
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
5OWE
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BU of 5owe by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
分子名称: 1,3-bis(oxidanyl)benzo[c]chromen-6-one, NITRATE ION, Peregrin
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-08-31
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: 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
著者Zhu, J, Caflisch, A.
登録日2017-08-31
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5OWM
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BU of 5owm by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with UT48
分子名称: Bromodomain-containing protein 4, [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
著者Zhu, J, Caflisch, A.
登録日2017-09-01
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
5O5F
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BU of 5o5f by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ038
分子名称: 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2017-06-01
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献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
分子名称: NITRATE ION, Peregrin, ~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-06-01
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5NLK
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BU of 5nlk by Molmil
Crystal structure of CREBBP bromodomain complexd with US13A
分子名称: CREB-binding protein, ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-04-04
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
ACS Cent Sci, 4, 2018
5O97
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BU of 5o97 by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
分子名称: (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
著者Zhu, J, Marchand, J.R, Caflisch, A.
登録日2017-06-15
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
To Be Published
5O4S
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BU of 5o4s by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ135
分子名称: 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
著者Zhu, J, Caflisch, A.
登録日2017-05-30
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: 1,4-dimethylquinoxaline-2,3-dione, Peregrin
著者Zhu, J, Caflisch, A.
登録日2017-05-30
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
3WP1
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BU of 3wp1 by Molmil
Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
分子名称: Disks large homolog 4, Lethal(2) giant larvae protein homolog 2, SULFATE ION
著者Zhu, J, Shang, Y, Wan, Q, Xia, Y, Chen, J, Du, Q, Zhang, M.
登録日2014-01-08
公開日2014-03-19
最終更新日2014-04-30
実験手法X-RAY DIFFRACTION (2.804 Å)
主引用文献Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
Cell Res., 24, 2014
3WP0
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BU of 3wp0 by Molmil
Crystal structure of Dlg GK in complex with a phosphor-Lgl2 peptide
分子名称: Disks large homolog 4, GLYCEROL, Lethal(2) giant larvae protein homolog 2
著者Zhu, J, Shang, Y, Wan, Q, Xia, Y, Chen, J, Du, Q, Zhang, M.
登録日2014-01-08
公開日2014-03-19
最終更新日2014-04-30
実験手法X-RAY DIFFRACTION (2.039 Å)
主引用文献Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
Cell Res., 24, 2014
7VS4
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BU of 7vs4 by Molmil
Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex
分子名称: DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ...
著者Zhu, J, Gao, P.
登録日2021-10-25
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
7VRU
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BU of 7vru by Molmil
Crystal structure of PacII_M1M2S-DNA-SAH complex
分子名称: DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ...
著者Zhu, J, Gao, P.
登録日2021-10-25
公開日2022-11-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
4HTZ
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BU of 4htz by Molmil
Crystal structure of PDE2 catalytic domain in space group P1
分子名称: MAGNESIUM ION, ZINC ION, cGMP-dependent 3',5'-cyclic phosphodiesterase
著者Zhu, J, Huang, Q.
登録日2012-11-02
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
4HTX
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BU of 4htx by Molmil
Crystal structure of PDE2 catalytic domain in complex with BAY60-7550
分子名称: 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, ...
著者Zhu, J, Huang, Q.
登録日2012-11-02
公開日2013-08-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
2QVO
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BU of 2qvo by Molmil
Crystal structure of AF1382 from Archaeoglobus fulgidus
分子名称: Uncharacterized protein AF_1382
著者Zhu, J, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Hao, X, Chen, L, Liu, Z.J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2007-08-08
公開日2007-09-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of AF1382 from Archaeoglobus fulgidus.
To be Published
2P3E
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BU of 2p3e by Molmil
Crystal structure of AQ1208 from Aquifex aeolicus
分子名称: Diaminopimelate decarboxylase
著者Zhu, J, Swindell II, J.T, Chen, L, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Fu, Z.-Q, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-08
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献To be Published
To be Published
2P17
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BU of 2p17 by Molmil
Crystal structure of GK1651 from Geobacillus kaustophilus
分子名称: FE (III) ION, Pirin-like protein
著者Zhu, J, Swindell II, J.T, Chen, L, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Fu, Z.-Q, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-02
公開日2007-05-01
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structure of GK1651 from Geobacillus kaustophilus
To be Published
6BK4
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BU of 6bk4 by Molmil
Crystal structure of the HR-1 domain of Drosophila caprin in the P212121 space group
分子名称: Caprin homolog
著者Zhu, J, Wu, Y, Huang, X, Du, Z.
登録日2017-11-07
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a dimerization domain of Drosophila Caprin: further supports the assembly of an evolutionarily conserved ribonucleoprotein complex containing Caprin and FMRP
To Be Published

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