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2H6Q
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BU of 2h6q by Molmil
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
Descriptor: Histone H3 K4-Me3 9-residue peptide, WD-repeat protein 5
Authors:Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L.
Deposit date:2006-06-01
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex.
Nat.Struct.Mol.Biol., 13, 2006
3R63
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BU of 3r63 by Molmil
Structure of ERK2 (SPE) mutant (S246E)
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Karamansha, Y.
Deposit date:2011-03-21
Release date:2011-08-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Nuclear ERK translocation is mediated by protein kinase CK2 and accelerated by autophosphorylation.
Mol.Cell.Biol., 31, 2011
4NU1
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BU of 4nu1 by Molmil
Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ...
Authors:Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I.
Deposit date:2013-12-03
Release date:2014-03-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
4I6M
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BU of 4i6m by Molmil
Structure of Arp7-Arp9-Snf2(HSA)-RTT102 subcomplex of SWI/SNF chromatin remodeler.
Descriptor: Actin-like protein ARP9, Actin-related protein 7, PHOSPHATE ION, ...
Authors:Schubert, H.L, Cairns, B.R, Hill, C.P.
Deposit date:2012-11-29
Release date:2013-02-13
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (2.801 Å)
Cite:Structure of an actin-related subcomplex of the SWI/SNF chromatin remodeler.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LOO
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BU of 4loo by Molmil
Structural basis of autoactivation of p38 alpha induced by TAB1 (Monoclinic crystal form)
Descriptor: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Chaikuad, A, DeNicola, G.F, Krojer, T, Allerston, C.K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-07-13
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1.
Nat.Struct.Mol.Biol., 20, 2013
4LOQ
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BU of 4loq by Molmil
Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate)
Descriptor: 1,2-ETHANEDIOL, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, ...
Authors:Chaikuad, A, DeNicola, G.F, Yue, W.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Marber, M.S, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-07-13
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.319 Å)
Cite:Mechanism and consequence of the autoactivation of p38 alpha mitogen-activated protein kinase promoted by TAB1.
Nat.Struct.Mol.Biol., 20, 2013
2D48
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BU of 2d48 by Molmil
Crystal structure of the Interleukin-4 variant T13D
Descriptor: Interleukin-4, SULFATE ION
Authors:Kraich, M, Klein, M, Patino, E, Harrer, H, Sebald, W, Mueller, T.D.
Deposit date:2005-10-11
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A modular interface of IL-4 allows for scalable affinity without affecting specificity for the IL-4 receptor
Bmc Biol., 4, 2006
4UVC
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BU of 4uvc by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
7LB0
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BU of 7lb0 by Molmil
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-295
Descriptor: 1,2-ETHANEDIOL, 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl}cyclopropane-1-sulfonamide, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-07
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-295
To Be Published
7LB1
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BU of 7lb1 by Molmil
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585
Descriptor: 1,2-ETHANEDIOL, 5-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}isoquinoline, DI(HYDROXYETHYL)ETHER, ...
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-07
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-585
To Be Published
7LB2
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BU of 7lb2 by Molmil
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-589
Descriptor: (3R)-3-methyl-4-{6-[1-(S-methylsulfonimidoyl)cyclopropyl]-2-(naphthalen-1-yl)pyrimidin-4-yl}morpholine, 1,2-ETHANEDIOL, HEXANE-1,6-DIOL, ...
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-07
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ZS1-589
To Be Published
6ZDP
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BU of 6zdp by Molmil
Structure of telomerase from Candida Tropicalis in complexe with TWJ fragment of telomeric RNA
Descriptor: Chains: B, POTASSIUM ION, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-15
Release date:2021-04-28
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
3KOV
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BU of 3kov by Molmil
Structure of MEF2A bound to DNA reveals a completely folded MADS-box/MEF2 domain that recognizes DNA and recruits transcription co-factors
Descriptor: DNA (5'-D(*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), Myocyte-specific enhancer factor 2A
Authors:Wu, Y, Dey, R, Han, A, Jayathilaka, N, Philips, M, Ye, J, Chen, L.
Deposit date:2009-11-14
Release date:2010-02-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the MADS-box/MEF2 Domain of MEF2A Bound to DNA and Its Implication for Myocardin Recruitment.
J.Mol.Biol., 397, 2010
7LB3
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BU of 7lb3 by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-580
Descriptor: 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-indazole, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-07
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-580
To Be Published
4UVA
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BU of 4uva by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S)
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4XH9
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BU of 4xh9 by Molmil
CRYSTAL STRUCTURE OF HUMAN RHOA IN COMPLEX WITH DH/PH FRAGMENT OF THE GUANINE NUCLEOTIDE EXCHANGE FACTOR NET1
Descriptor: Neuroepithelial cell-transforming gene 1 protein, Transforming protein RhoA
Authors:Garcia, C, Petit, P, Boutin, J.A, Ferry, G, Vuillard, L.
Deposit date:2015-01-05
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A structural study of the complex between neuroepithelial cell transforming gene 1 (Net1) and RhoA reveals a potential anticancer drug hot spot.
J. Biol. Chem., 293, 2018
1M47
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BU of 1m47 by Molmil
Crystal Structure of Human Interleukin-2
Descriptor: SULFATE ION, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, Wells, J.A, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface.
Proc.Natl.Acad.Sci.USA, 100, 2003
1M4C
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BU of 1m4c by Molmil
Crystal Structure of Human Interleukin-2
Descriptor: interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
4R62
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BU of 4r62 by Molmil
Structure of Rad6~Ub
Descriptor: ACETATE ION, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 2
Authors:Kumar, P, Wolberger, C.
Deposit date:2014-08-22
Release date:2015-09-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Role of a non-canonical surface of Rad6 in ubiquitin conjugating activity.
Nucleic Acids Res., 43, 2015
1M49
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BU of 1m49 by Molmil
Crystal Structure of Human Interleukin-2 Complexed with SP-1985
Descriptor: 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
1M4A
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BU of 1m4a by Molmil
Crystal Structure of Human Interleukin-2 Y31C Covalently Modified at C31 with (1H-Indol-3-yl)-(2-mercapto-ethoxyimino)-acetic acid
Descriptor: (1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-ACETIC ACID, GLYCEROL, interleukin-2
Authors:Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C.
Deposit date:2002-07-02
Release date:2002-07-31
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Binding of small molecules to an adaptive protein-protein interface
Proc.Natl.Acad.Sci.USA, 100, 2003
4XOI
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BU of 4xoi by Molmil
Structure of hsAnillin bound with RhoA(Q63L) at 2.1 Angstroms resolution
Descriptor: Actin-binding protein anillin, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Sun, L, Guan, R, Lee, I.-J, Liu, Y, Chen, M, Wang, J, Wu, J, Chen, Z.
Deposit date:2015-01-16
Release date:2015-07-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Mechanistic insights into the anchorage of the contractile ring by anillin and mid1
Dev.Cell, 33, 2015
4WV6
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BU of 4wv6 by Molmil
Heterodimer of Importin alpha 1 with nuclear localization signal of TAF8
Descriptor: 1,2-ETHANEDIOL, Importin subunit alpha-1, Transcription initiation factor TFIID subunit 8
Authors:Trowitzsch, S.
Deposit date:2014-11-04
Release date:2015-01-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cytoplasmic TAF2-TAF8-TAF10 complex provides evidence for nuclear holo-TFIID assembly from preformed submodules.
Nat Commun, 6, 2015
4WQ6
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BU of 4wq6 by Molmil
The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
Descriptor: 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Li, D, Wang, W.
Deposit date:2014-10-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
6RT0
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BU of 6rt0 by Molmil
cryo-em structure of alpha-synuclein fibril polymorph 2A
Descriptor: Alpha-synuclein
Authors:Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H.
Deposit date:2019-05-22
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019

224931

數據於2024-09-11公開中

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