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5B79
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Crystal structure of DPF2 double PHD finger
分子名称: ZINC ION, Zinc finger protein ubi-d4
著者Li, H, Xiong, X.
登録日2016-06-05
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5BNH
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BU of 5bnh by Molmil
Crystal structure of the HLTF HIRAN domain with a ssDNA fragment
分子名称: ACETATE ION, DNA (5'-D(*(GD)P*GP*TP*G)-3'), DNA (5'-D(*(TD)P*TP*G)-3'), ...
著者Neculai, D, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S.
登録日2015-05-26
公開日2016-05-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Co-crystal structure of the HLTF HIRAN domain with a ssDNA fragment
To Be Published
5CS8
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BU of 5cs8 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-23
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5D0C
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BU of 5d0c by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-08-03
公開日2016-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5D3J
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BU of 5d3j by Molmil
First bromodomain of BRD4 bound to inhibitor XD33
分子名称: 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5D3R
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BU of 5d3r by Molmil
First bromodomain of BRD4 bound to inhibitor XD42
分子名称: 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4
著者Wohlwend, D, Huegle, M.
登録日2015-08-06
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1).
J.Med.Chem., 59, 2016
5CTL
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BU of 5ctl by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-07-24
公開日2016-01-13
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5DMR
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BU of 5dmr by Molmil
Crystal Structure of C-terminal domain of mouse eRF1 in complex with RNase H domain of RT of Moloney Murine Leukemia Virus
分子名称: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80
著者Tang, X, Song, H.
登録日2015-09-09
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus
Nat Commun, 7, 2016
5DLQ
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BU of 5dlq by Molmil
Crystal structure of RanGTP-Exportin 4-eIF5A complex
分子名称: Eukaryotic translation initiation factor 5A-1, Exportin-4, GTP-binding nuclear protein Ran, ...
著者Aksu, M, Trakhanov, S, Gorlich, D.
登録日2015-09-07
公開日2016-06-22
最終更新日2016-06-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structure of the exportin Xpo4 in complex with RanGTP and the hypusine-containing translation factor eIF5A.
Nat Commun, 7, 2016
5DX4
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BU of 5dx4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand
分子名称: 1,2-ETHANEDIOL, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ...
著者Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y.
登録日2015-09-23
公開日2016-01-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5DYG
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BU of 5dyg by Molmil
Structure of p97 N-D1 L198W mutant in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase
著者Tang, W.K, Xia, D.
登録日2015-09-24
公開日2016-02-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Role of the D1-D2 Linker of Human VCP/p97 in the Asymmetry and ATPase Activity of the D1-domain.
Sci Rep, 6, 2016
5B1M
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BU of 5b1m by Molmil
The mouse nucleosome structure containing H3.1
分子名称: DNA (146-MER), Histone H2A type 1, Histone H2B type 3-A, ...
著者Urahama, T, Machida, S, Horikoshi, N, Osakabe, A, Tachiwana, H, Taguchi, H, Kurumizaka, H.
登録日2015-12-08
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Testis-Specific Histone Variant H3t Gene Is Essential for Entry into Spermatogenesis
Cell Rep, 18, 2017
5BPW
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BU of 5bpw by Molmil
Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain
分子名称: Anaphase-promoting complex subunit 4
著者Kulkarni, K, Yang, J, Zhang, Z, Barford, D.
登録日2015-05-28
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
5DLX
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BU of 5dlx by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}piperidine-4-carboxamide
分子名称: Bromodomain-containing protein 4, N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
著者Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
登録日2015-09-07
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
5E7I
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BU of 5e7i by Molmil
Crystal structure of the active catalytic core of the human DEAD-box protein DDX3
分子名称: ATP-dependent RNA helicase DDX3X
著者Floor, S.N, Condon, K.J, Doudna, J.A.
登録日2015-10-12
公開日2015-12-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.223 Å)
主引用文献Autoinhibitory Interdomain Interactions and Subfamily-specific Extensions Redefine the Catalytic Core of the Human DEAD-box Protein DDX3.
J.Biol.Chem., 291, 2016
5E0U
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BU of 5e0u by Molmil
Human PCNA variant (S228I) complexed with p21 at 1.9 Angstroms
分子名称: Cyclin-dependent kinase inhibitor 1, Proliferating cell nuclear antigen
著者Duffy, C.M, Hilbert, B.J, Kelch, B.A.
登録日2015-09-29
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site.
J.Mol.Biol., 428, 2016
5E7D
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BU of 5e7d by Molmil
Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand
分子名称: (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1
著者Filippakopoulos, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Owen, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-10-12
公開日2016-10-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand
To Be Published
5C1A
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BU of 5c1a by Molmil
p97-N750D/R753D/M757D/Q760D in complex with ATP-gamma-S
分子名称: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
著者Haenzelmann, P, Schindelin, H.
登録日2015-06-13
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structural Basis of ATP Hydrolysis and Intersubunit Signaling in the AAA+ ATPase p97.
Structure, 24, 2016
5CJ2
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BU of 5cj2 by Molmil
Ran GDP Y39A mutant triclinic crystal form
分子名称: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Vetter, I.R, Brucker, S.
登録日2015-07-13
公開日2015-09-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy.
J.Biol.Chem., 290, 2015
5CLQ
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BU of 5clq by Molmil
Ran Y39A in complex with GPPNHP and RanBD1
分子名称: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
著者Vetter, I.R, Brucker, S.
登録日2015-07-16
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Catalysis of GTP Hydrolysis by Small GTPases at Atomic Detail by Integration of X-ray Crystallography, Experimental, and Theoretical IR Spectroscopy.
J.Biol.Chem., 290, 2015
5DLZ
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BU of 5dlz by Molmil
FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-({1-[(3-methylphe methyl]piperidin-4-yl}methyl)butanamide
分子名称: Bromodomain-containing protein 4, N-{[1-(3-methylbenzyl)piperidin-4-yl]methyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
著者Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
登録日2015-09-07
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Protein-Protein Interaction Inhibition (2P2I)-Oriented Chemical Library Accelerates Hit Discovery.
Acs Chem.Biol., 11, 2016
5DMQ
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BU of 5dmq by Molmil
Crystal structure of mouse eRF1 in complex with Reverse Transcriptase (RT) of Moloney Murine Leukemia Virus
分子名称: Eukaryotic peptide chain release factor subunit 1, Reverse transcriptase/ribonuclease H p80
著者Tang, T, Song, H.
登録日2015-09-09
公開日2016-07-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural basis of suppression of host translation termination by Moloney Murine Leukemia Virus
Nat Commun, 7, 2016
5E0V
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BU of 5e0v by Molmil
Human PCNA variant (S228I) complexed with FEN1 at 2.1 Angstroms
分子名称: Flap endonuclease 1, Proliferating cell nuclear antigen
著者Duffy, C.M, Hilbert, B.J, Kelch, B.A.
登録日2015-09-29
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.074 Å)
主引用文献A Disease-Causing Variant in PCNA Disrupts a Promiscuous Protein Binding Site.
J.Mol.Biol., 428, 2016
5DNR
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BU of 5dnr by Molmil
Aurora A Kinase in complex with ATP in space group P41212
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.
登録日2015-09-10
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
5DR6
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BU of 5dr6 by Molmil
Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122
分子名称: 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-15
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.534 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016

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