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4BAY
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BU of 4bay by Molmil
Phosphomimetic mutant of LSD1-8a splicing variant in complex with CoREST
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1
著者Toffolo, E, Paganini, L, Rusconi, F, Tortorici, M, Pilotto, S, Verpelli, C, Tedeschi, G, Maffioli, E, Sala, C, Mattevi, A, Battaglioli, E.
登録日2012-09-17
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Phosphorylation of Neuronal Lysine-Specific Demethylase 1Lsd1/Kdm1A Impairs Transcriptional Repression by Regulating Interaction with Corest and Histone Deacetylases Hdac1/2.
J.Neurochem., 128, 2014
4O77
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BU of 4o77 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB 202190
分子名称: 4-[4-(4-fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl]phenol, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4BJX
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BU of 4bjx by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH GSK1324726A (I-BET726)
分子名称: 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 4
著者Chung, C.
登録日2013-04-20
公開日2013-10-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Bet Inhibition Silences Expression of Mycn and Bcl2 and Induces Cytotoxicity in Neuroblastoma Tumor Models.
Plos One, 8, 2013
4BL8
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BU of 4bl8 by Molmil
Crystal structure of full-length human Suppressor of fused (SUFU)
分子名称: MALTOSE-BINDING PERIPLASMIC PROTEIN, SUPPRESSOR OF FUSED HOMOLOG, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Karlstrom, M, Finta, C, Cherry, A.L, Toftgard, R, Jovine, L.
登録日2013-05-02
公開日2013-11-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structural Basis of Sufu-GLI Interaction in Hedgehog Signalling Regulation
Acta Crystallogr.,Sect.D, 69, 2013
4DRW
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BU of 4drw by Molmil
Crystal Structure of the Ternary Complex between S100A10, an Annexin A2 N-terminal Peptide and an AHNAK Peptide
分子名称: Neuroblast differentiation-associated protein AHNAK, Protein S100-A10/Annexin A2 chimeric protein
著者Rezvanpour, A, Lee, T.-W, Junop, M.S, Shaw, G.S.
登録日2012-02-17
公開日2012-10-24
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure of an asymmetric ternary protein complex provides insight for membrane interaction.
Structure, 20, 2012
4DGE
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BU of 4dge by Molmil
TRIMCyp cyclophilin domain from Macaca mulatta: H70C mutant, HIV-1 CA(O-loop) complex
分子名称: TRIMCyp, capsid protein
著者Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C.
登録日2012-01-25
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Diverse HIV viruses are targeted by a conformationally dynamic antiviral.
Nat.Struct.Mol.Biol., 19, 2012
4DHF
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BU of 4dhf by Molmil
Structure of Aurora A mutant bound to Biogenidec cpd 15
分子名称: 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Aurora kinase A, MAGNESIUM ION, ...
著者Silvian, L, Marcotte, D.J.
登録日2012-01-27
公開日2012-07-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4DK7
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BU of 4dk7 by Molmil
Crystal structure of LXR ligand binding domain in complex with full agonist 1
分子名称: ACETATE ION, CALCIUM ION, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide, ...
著者Piper, D.E, Xu, H.
登録日2012-02-03
公開日2012-03-21
最終更新日2012-05-09
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Discovery of a new binding mode for a series of liver X receptor agonists.
Bioorg.Med.Chem.Lett., 22, 2012
4N1Q
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BU of 4n1q by Molmil
Structure of Cyclophilin A in complex with cyclohexanecarboxamide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, cyclohexanecarboxamide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
4ESG
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BU of 4esg by Molmil
X-ray structure of WDR5-MLL1 Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase MLL, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-23
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
4B0G
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BU of 4b0g by Molmil
Complex of Aurora-A bound to an Imidazopyridine-based inhibitor
分子名称: 6-bromo-2-(1-methyl-1H-imidazol-5-yl)-7-{4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl}-1H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION
著者Kosmopoulou, M, Bayliss, R.
登録日2012-07-02
公開日2013-03-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Optimization of Imidazo[4,5-B]Pyridine-Based Kinase Inhibitors: Identification of a Dual Flt3/Aurora Kinase Inhibitor as an Orally Bioavailable Preclinical Development Candidate for the Treatment of Acute Myeloid Leukemia.
J.Med.Chem., 55, 2012
4ERY
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BU of 4ery by Molmil
X-ray structure of WDR5-MLL3 Win motif peptide binary complex
分子名称: Histone-lysine N-methyltransferase MLL3, WD repeat-containing protein 5
著者Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
登録日2012-04-21
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
3ZN1
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BU of 3zn1 by Molmil
LSD1-CoREST in complex with PRLYLV peptide
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, PEPTIDE, ...
著者Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A.
登録日2013-02-13
公開日2013-06-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
3ZJY
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BU of 3zjy by Molmil
Crystal Structure of Importin 13 - RanGTP - eIF1A complex
分子名称: EUKARYOTIC TRANSLATION INITIATION FACTOR 1A, X-CHROMOSOMAL, GTP-BINDING NUCLEAR PROTEIN RAN, ...
著者Gruenwald, M, Lazzaretti, D, Bono, F.
登録日2013-01-21
公開日2013-04-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural Basis for the Nuclear Export Activity of Importin13.
Embo J., 32, 2013
4O76
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BU of 4o76 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with TG101209
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide
著者Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O71
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BU of 4o71 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with FLAVOPIRIDOL
分子名称: 1,2-ETHANEDIOL, 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Bromodomain-containing protein 4
著者Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O75
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BU of 4o75 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with FOSTAMATINIB
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate
著者Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4BEX
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BU of 4bex by Molmil
Structure of human Cofilin1
分子名称: COFILIN-1
著者Klejnot, M, Gabrielsen, M, Cameron, J, Mleczak, A, Talapatra, S.K, Kozielski, F, Pannifer, A, Olson, M.F.
登録日2013-03-12
公開日2013-08-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Analysis of the Human Cofilin1 Structure Reveals Conformational Changes Required for Actin-Binding
Acta Crystallogr.,Sect.D, 69, 2013
4FGT
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BU of 4fgt by Molmil
Allosteric peptidic inhibitor of human thymidylate synthase that stabilizes inactive conformation of the enzyme.
分子名称: CG peptide, SULFATE ION, Thymidylate synthase
著者Tochowicz, A, Finer-Moore, J, Stroud, R.M, Costi, M.P.
登録日2012-06-04
公開日2013-03-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides.
J.Med.Chem., 58, 2015
4O74
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BU of 4o74 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with BI 2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4, ...
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
4O7E
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BU of 4o7e by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SB-610251-B
分子名称: 1,2-ETHANEDIOL, 3-[2-phenyl-4-(pyridin-4-yl)-1H-imidazol-5-yl]phenol, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Watts, C, Schonbrunn, E.
登録日2013-12-24
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
3ZYL
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BU of 3zyl by Molmil
Structure of a truncated CALM (PICALM) ANTH domain
分子名称: PHOSPHATIDYLINOSITOL-BINDING CLATHRIN ASSEMBLY PROTEIN
著者Miller, S.E, Sahlender, D.A, Graham, S.C, Honing, S, Robinson, M.S, Peden, A.A, Owen, D.J.
登録日2011-08-23
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The molecular basis for the endocytosis of small R-SNAREs by the clathrin adaptor CALM.
Cell, 147, 2011
3ZEH
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BU of 3zeh by Molmil
Solution structure of the Hs. PSIP1 PWWP domain
分子名称: PC4 AND SFRS1-INTERACTING PROTEIN
著者van Ingen, H, van Nuland, R, Timmers, H.T.M, Boelens, R.
登録日2012-12-05
公開日2013-05-22
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Nucleosomal DNA Binding Drives the Recognition of H3K36-Methylated Nucleosomes by the Psip1-Pwwp Domain.
Epigenetics Chromatin, 6, 2013
4N1R
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BU of 4n1r by Molmil
Structure of Cyclophilin A in complex with benzenesulfonohydrazide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, benzenesulfonohydrazide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
4MZ7
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BU of 4mz7 by Molmil
Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Zhu, C, Gao, W, Zhao, K, Qin, X, Zhang, Y, Peng, X, Zhang, L, Dong, Y, Zhang, W, Li, P, Wei, W, Gong, Y, Yu, X.F.
登録日2013-09-29
公開日2013-11-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase
Nat Commun, 4, 2013

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