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7CDE
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BU of 7cde by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
7CDG
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BU of 7cdg by Molmil
Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ...
著者Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T.
登録日2020-06-19
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
6ZWK
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BU of 6zwk by Molmil
Crystal structure of the phosphorylated C-terminal tail of histone H2AX in complex with a specific nanobody (C6 gammaXbody)
分子名称: CHLORIDE ION, Histone H2AX, SODIUM ION, ...
著者McEwen, A.G, Moeglin, E, Desplancq, D, Weiss, E, Poterszman, A.
登録日2020-07-28
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A Novel Nanobody Precisely Visualizes Phosphorylated Histone H2AX in Living Cancer Cells under Drug-Induced Replication Stress.
Cancers (Basel), 13, 2021
4Q0N
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BU of 4q0n by Molmil
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
分子名称: (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Monteiro, O, Fedorov, O, Chaikuad, A, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-04-02
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
To be Published
6ZUE
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BU of 6zue by Molmil
Crystal structure of human DDB1 bound to human DCAF1 (amino acid residues 1046-1396)
分子名称: DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1
著者Schwefel, D, Taylor, I.A.
登録日2020-07-22
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.094 Å)
主引用文献Structural insights into Cullin4-RING ubiquitin ligase remodelling by Vpr from simian immunodeficiency viruses.
Plos Pathog., 17, 2021
2JRS
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BU of 2jrs by Molmil
Solution NMR Structure of CAPER RRM2 Domain. Northeast Structural Genomics Target HR4730A
分子名称: RNA-binding protein 39
著者Rossi, P, Zhao, L, Nwosu, C, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2007-06-28
公開日2007-09-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of CAPER RRM2 Domain.
To be Published
4Q6F
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BU of 4q6f by Molmil
Crystal structure of human BAZ2A PHD zinc finger in complex with unmodified H3K4 histone peptide
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, ZINC ION, ...
著者Tallant, C, Overvoorde, L, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-04-22
公開日2014-05-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
7CUX
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BU of 7cux by Molmil
Crystal structure of human Schlafen 5 N'-terminal domain (SLFN5-N) involved in ssRNA cleaving and DNA binding
分子名称: Schlafen family member 5, ZINC ION
著者Yang, J.Y, Luo, M, Ou, J.Y, Wang, Z.W, Gao, S.
登録日2020-08-25
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.29477072 Å)
主引用文献Crystal structure of human Schlafen 5 N'-terminal domain (SLFN5-N) involved in ssRNA cleaving and DNA binding
To Be Published
2JY8
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BU of 2jy8 by Molmil
NMR structure of the ubiquitin associated (UBA) domain of p62 (SQSTM1) in complex with ubiquitin. RDC refined
分子名称: Ubiquitin-binding protein p62
著者Long, J.E, Layfield, R, Searle, M.S.
登録日2007-12-07
公開日2007-12-18
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Ubiquitin Recognition by the Ubiquitin-associated Domain of p62 Involves a Novel Conformational Switch
J.Biol.Chem., 283, 2008
7DHG
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BU of 7dhg by Molmil
Crystal structure of SARS-CoV-2 Orf9b complex with human TOM70
分子名称: Mitochondrial import receptor subunit TOM70, ORF9b protein
著者Gao, X, Zhu, K, Qin, B, Olieric, V, Wang, M, Cui, S.
登録日2020-11-14
公開日2021-05-12
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of SARS-CoV-2 Orf9b in complex with human TOM70 suggests unusual virus-host interactions.
Nat Commun, 12, 2021
2JVN
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BU of 2jvn by Molmil
Domain C of human PARP-1
分子名称: Poly [ADP-ribose] polymerase 1, ZINC ION
著者Hoffman, D, Tao, Z, Liu, H.
登録日2007-09-24
公開日2008-05-13
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Domain C of human poly(ADP-ribose) polymerase-1 is important for enzyme activity and contains a novel zinc-ribbon motif.
Biochemistry, 47, 2008
2J4Z
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BU of 2j4z by Molmil
Structure of Aurora-2 in complex with PHA-680626
分子名称: 4-(4-METHYLPIPERAZIN-1-YL)-N-[5-(2-THIENYLACETYL)-1,5-DIHYDROPYRROLO[3,4-C]PYRAZOL-3-YL]BENZAMIDE, ARSENIC, SERINE THREONINE-PROTEIN KINASE 6
著者Cameron, A.D, Izzo, G, Storici, P, Rusconi, L, Fancelli, D, Varasi, M, Berta, D, Bindi, S, Forte, B, Severino, D, Tonani, R, Vianello, P.
登録日2006-09-08
公開日2006-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
J. Med. Chem., 49, 2006
7DCJ
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BU of 7dcj by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 2-site HSE DNA in the head-to-head orientation
分子名称: DNA (5'-D(*GP*CP*CP*GP*AP*AP*TP*AP*TP*TP*CP*GP*G)-3'), Heat shock factor protein 1, SODIUM ION
著者Feng, N, Liu, W.
登録日2020-10-26
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
7DCT
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BU of 7dct by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (24 bp)
分子名称: DNA (5'-D(*AP*CP*TP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*AP*C)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*AP*G)-3'), Heat shock factor protein 1, ...
著者Feng, N, Liu, W.
登録日2020-10-27
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
7DCU
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BU of 7dcu by Molmil
Crystal structure of HSF2 DNA-binding domain in complex with 3-site HSE DNA (21 bp)
分子名称: DNA (5'-D(*AP*CP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*G)-3'), Heat shock factor protein 2, ...
著者Feng, N, Liu, W.
登録日2020-10-27
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
7DCS
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BU of 7dcs by Molmil
Crystal structure of HSF1 DNA-binding domain in complex with 3-site HSE DNA (23 bp)
分子名称: DNA (5'-D(*AP*TP*CP*CP*GP*CP*GP*AP*AP*TP*AP*TP*TP*CP*TP*AP*GP*AP*AP*CP*GP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*CP*GP*TP*TP*CP*TP*AP*GP*AP*AP*TP*AP*TP*TP*CP*GP*CP*GP*GP*A)-3'), Heat shock factor protein 1, ...
著者Feng, N, Liu, W.
登録日2020-10-27
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of heat shock factor trimers bound to DNA.
Iscience, 24, 2021
7DCI
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BU of 7dci by Molmil
Crystal structure of HSF2 DNA-binding domain in complex with 2-site HSE DNA in the head-to-head orientation
分子名称: DNA (5'-D(*GP*GP*GP*AP*AP*TP*AP*TP*TP*CP*CP*C)-3'), Heat shock factor protein 2, SODIUM ION
著者Wei, L, Wei, L.
登録日2020-10-26
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of HSF2 DNA-binding domain in complex with 2-site HSE DNA in the head-to-head orientation
To Be Published
7AUD
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BU of 7aud by Molmil
Structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bloom syndrome protein,Bloom syndrome protein, DNA (5'-D(*GP*TP*AP*CP*CP*CP*GP*AP*TP*GP*TP*GP*T)-3'), ...
著者Chen, X, Oliver, A.W.
登録日2020-11-02
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021
4QB3
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BU of 4qb3 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with Olinone
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[4-(1-oxo-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
著者Plotnikov, A.N, Joshua, J, Zhou, M.-M.
登録日2014-05-06
公開日2015-04-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.94 Å)
主引用文献Selective chemical modulation of gene transcription favors oligodendrocyte lineage progression.
Chem.Biol., 21, 2014
7B2X
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BU of 7b2x by Molmil
Crystal structure of human 5' exonuclease Appollo H61Y variant
分子名称: 5' exonuclease Apollo, NICKEL (II) ION
著者Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-11-28
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
7AYI
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BU of 7ayi by Molmil
Crystal structure of Aurora A in complex with 7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-one derivative (compound 2a)
分子名称: 7-(2-phenylazanylpyrimidin-4-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one, Aurora kinase A
著者Chaikuad, A, Karatas, M, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-11-12
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献7-(2-Anilinopyrimidin-4-yl)-1-benzazepin-2-ones Designed by a "Cut and Glue" Strategy Are Dual Aurora A/VEGF-R Kinase Inhibitors.
Molecules, 26, 2021
4QF2
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BU of 4qf2 by Molmil
Crystal structure of human BAZ2A PHD zinc finger in the free form
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ...
著者Tallant, C, Overvoorde, L, Van Molle, I, Chirgadze, D.Y, Ciulli, A.
登録日2014-05-19
公開日2014-07-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
7AUC
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BU of 7auc by Molmil
Crystal structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
著者Chen, X, Oliver, A.W.
登録日2020-11-02
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021
2IE7
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BU of 2ie7 by Molmil
Annexin V under 2.0 MPa pressure of nitrous oxide
分子名称: Annexin A5, CALCIUM ION, NITROUS OXIDE, ...
著者Colloc'h, N, Sopkova-de Oliveira Santos, J, Prange, T, Brisson, A, Langlois d'Estainto, B, Gallois, B.
登録日2006-09-18
公開日2007-02-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Protein Crystallography under Xenon and Nitrous Oxide Pressure: Comparison with In Vivo Pharmacology Studies and Implications for the Mechanism of Inhaled Anesthetic Action
Biophys.J., 92, 2007
2IG0
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BU of 2ig0 by Molmil
Structure of 53BP1/methylated histone peptide complex
分子名称: Dimethylated Histone H4-K20 peptide, SULFATE ION, Tumor suppressor p53-binding protein 1
著者Mer, G.
登録日2006-09-22
公開日2007-01-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for the Methylation State-Specific Recognition of Histone H4-K20 by 53BP1 and Crb2 in DNA Repair.
Cell(Cambridge,Mass.), 127, 2006

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