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2B9Z
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BU of 2b9z by Molmil
Solution structure of FHV B2, a viral suppressor of RNAi
Descriptor: B2 protein
Authors:Lingel, A, Simon, B, Izaurralde, E, Sattler, M.
Deposit date:2005-10-13
Release date:2005-11-29
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:The structure of the flock house virus B2 protein, a viral suppressor of RNA interference, shows a novel mode of double-stranded RNA recognition.
Embo Rep., 6, 2005
1T2R
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BU of 1t2r by Molmil
Structural basis for 3' end recognition of nucleic acids by the Drosophila Argonaute 2 PAZ domain
Descriptor: 5'-R(*CP*UP*CP*AP*C)-3', Argonaute 2
Authors:Lingel, A, Simon, B, Izaurralde, E, Sattler, M.
Deposit date:2004-04-22
Release date:2004-06-01
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Nucleic acid 3'-end recognition by the Argonaute2 PAZ domain.
Nat.Struct.Mol.Biol., 11, 2004
1T2S
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BU of 1t2s by Molmil
Structural basis for 3' end recognition of nucleic acids by the Drosophila Argonaute 2 PAZ domain
Descriptor: 5'-D(*CP*TP*CP*AP*C)-3', Argonaute 2
Authors:Lingel, A, Simon, B, Izaurralde, E, Sattler, M.
Deposit date:2004-04-22
Release date:2004-06-01
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Nucleic acid 3'-end recognition by the Argonaute2 PAZ domain.
Nat.Struct.Mol.Biol., 11, 2004
1VYN
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BU of 1vyn by Molmil
STRUCTURE AND NUCLEIC ACID BINDING OF THE DROSOPHILA ARGONAUTE2 PAZ DOMAIN
Descriptor: ARGONAUTE2
Authors:Lingel, A, Simon, B, Izaurralde, E, Sattler, M.
Deposit date:2004-05-03
Release date:2004-05-11
Last modified:2018-01-17
Method:SOLUTION NMR
Cite:Structure and nucleic-acid binding of the Drosophila Argonaute 2 PAZ domain.
Nature, 426, 2003
2KLL
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BU of 2kll by Molmil
Solution structure of human interleukin-33
Descriptor: Interleukin-33
Authors:Lingel, A, Fairbrother, W.
Deposit date:2009-07-06
Release date:2009-11-17
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of IL-33 and its interaction with the ST2 and IL-1RAcP receptors--insight into heterotrimeric IL-1 signaling complexes.
Structure, 17, 2009
2KDD
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BU of 2kdd by Molmil
Solution structure of the conserved C-terminal dimerization domain of Borealin
Descriptor: Borealin
Authors:Lingel, A, Bourhis, E, Cochran, A.G, Fairbrother, W.J.
Deposit date:2009-01-06
Release date:2009-06-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Phosphorylation of a borealin dimerization domain is required for proper chromosome segregation.
Biochemistry, 48, 2009
2VXG
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BU of 2vxg by Molmil
Crystal structure of the conserved C-terminal region of Ge-1
Descriptor: CG6181-PA, ISOFORM A
Authors:Jinek, M, Eulalio, A, Lingel, A, Helms, S, Conti, E, Izaurralde, E.
Deposit date:2008-07-04
Release date:2008-09-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The C-Terminal Region of Ge-1 Presents Conserved Structural Features Required for P-Body Localization.
RNA, 14, 2008
3T6P
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BU of 3t6p by Molmil
IAP antagonist-induced conformational change in cIAP1 promotes E3 ligase activation via dimerization
Descriptor: Baculoviral IAP repeat-containing protein 2, ZINC ION
Authors:Dueber, E.C, Schoeffler, A.J, Lingel, A, Elliott, M, Fedorova, A.V, Giannetti, A.M, Zobel, K, Maurer, B, Varfolomeev, E, Wu, P, Wallweber, H, Hymowitz, S, Deshayes, K, Vucic, D, Fairbrother, W.J.
Deposit date:2011-07-28
Release date:2011-11-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Antagonists induce a conformational change in cIAP1 that promotes autoubiquitination.
Science, 334, 2011
6B7D
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BU of 6b7d by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
Descriptor: 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine, DIMETHYL SULFOXIDE, POTASSIUM ION, ...
Authors:Proudfoot, A.W, Bussiere, D, Lingel, A.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6B7C
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BU of 6b7c by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with N-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-5-methyl-1H-imidazo[4,5-b]pyridin-2-amine
Descriptor: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine, ...
Authors:Proudfoot, A.W, Bussiere, D, Lingel, A.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.564 Å)
Cite:High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6B7A
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BU of 6b7a by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 2-methyl-1H-benzo[d]imidazol-4-ol
Descriptor: 2-methyl-1H-benzimidazol-7-ol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Proudfoot, A.W, Bussiere, D, Lingel, A.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6B7E
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BU of 6b7e by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-4-(5-(difluoromethyl)-1H-imidazol-1-yl)-3,3-dimethylisochroman-1-one
Descriptor: (4R)-4-[5-(difluoromethyl)-1H-imidazol-1-yl]-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ...
Authors:Proudfoot, A.W, Bussiere, D, Lingel, A.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6B7F
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BU of 6b7f by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3,3-dimethyl-4-(5-vinyl-1H-imidazol-1-yl)isochroman-1-one
Descriptor: (4R)-4-(5-ethenyl-1H-imidazol-1-yl)-3,3-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ...
Authors:Proudfoot, A.W, Bussiere, D, Lingel, A.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.562 Å)
Cite:High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
6B7B
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BU of 6b7b by Molmil
Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 5-methoxy-2-methyl-1H-indole
Descriptor: 5-methoxy-2-methyl-1H-indole, DIMETHYL SULFOXIDE, PYROPHOSPHATE 2-, ...
Authors:Proudfoot, A.W, Bussiere, D, Lingel, A.
Deposit date:2017-10-03
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
2KJX
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BU of 2kjx by Molmil
Solution structure of the extracellular domain of JTB
Descriptor: Jumping translocation breakpoint protein
Authors:Rousseau, F, Lingel, A, Pan, B, Fairbrother, W.J, Bazan, F.
Deposit date:2009-06-10
Release date:2010-08-11
Last modified:2012-04-18
Method:SOLUTION NMR
Cite:The structure of the extracellular domain of the jumping translocation breakpoint protein reveals a variation of the midkine fold.
J.Mol.Biol., 415, 2012
5U5H
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BU of 5u5h by Molmil
Crystal structure of EED in complex with 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine 6-(2-fluoro-5-methoxybenzyl)-1-isopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
Descriptor: (6S)-6-[(2-fluoro-5-methoxyphenyl)methyl]-1-(propan-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Polycomb protein EED
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U62
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BU of 5u62 by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 6-(benzo[d][1,3]dioxol-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine
Descriptor: (6S)-6-[(2H-1,3-benzodioxol-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-amine, GLYCEROL, Histone-lysine N-methyltransferase EZH2, ...
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-07
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5T
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BU of 5u5t by Molmil
Crystal structure of EED in complex with H3K27Me3 peptide and 3-(benzo[d][1,3]dioxol-4-ylmethyl)piperidine-1-carboximidamide
Descriptor: (3R)-3-[(2H-1,3-benzodioxol-4-yl)methyl]piperidine-1-carboximidamide, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-07
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
5U5K
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BU of 5u5k by Molmil
Crystal structure of EED in complex with 3-(3-methoxybenzyl)piperidine hydrochloride
Descriptor: (3R)-3-[(3-methoxyphenyl)methyl]piperidine, FORMIC ACID, Polycomb protein EED
Authors:Bussiere, D, Shu, W.
Deposit date:2016-12-06
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure-Guided Design of EED Binders Allosterically Inhibiting the Epigenetic Polycomb Repressive Complex 2 (PRC2) Methyltransferase.
J. Med. Chem., 60, 2017
8RYS
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BU of 8rys by Molmil
Human IL-1beta, unliganded
Descriptor: Interleukin-1 beta, SULFATE ION
Authors:Rondeau, J.-M, Lehmann, S.
Deposit date:2024-02-09
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Ligandability assessment of IL-1beta by integrated hit identification approaches
To be published
7Z2I
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BU of 7z2i by Molmil
TRYPSIN (BOVINE) COMPLEXED WITH compound 4
Descriptor: 5-[[3-(trifluoromethyl)phenyl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Schiering, N, Dalvit, C, Vulpetti, A.
Deposit date:2022-02-27
Release date:2022-05-25
Last modified:2022-07-20
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts.
Chemmedchem, 17, 2022
7Z25
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BU of 7z25 by Molmil
TRYPSIN (BOVINE) COMPLEXED WITH compound 12
Descriptor: 2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Schiering, N, Dalvit, C, Vulpetti, A.
Deposit date:2022-02-25
Release date:2022-05-25
Last modified:2022-07-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Efficient Screening of Target-Specific Selected Compounds in Mixtures by 19 F NMR Binding Assay with Predicted 19 F NMR Chemical Shifts.
Chemmedchem, 17, 2022
8C3U
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BU of 8c3u by Molmil
Crystal Structure of human IL-1beta in complex with a low molecular weight antagonist
Descriptor: (S)-4'-hydroxy-3'-(6-methyl-2-oxo-3-(1H-pyrazol-4-yl)indolin-3-yl)-[1,1'-biphenyl]-2,4-dicarboxylic acid, Interleukin-1 beta
Authors:Rondeau, J.-M, Lehmann, S, Koch, E.
Deposit date:2022-12-28
Release date:2023-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Discovery of a selective and biologically active low-molecular weight antagonist of human interleukin-1 beta.
Nat Commun, 14, 2023
7QK4
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BU of 7qk4 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683)
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QJG
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BU of 7qjg by Molmil
EED in complex with PRC2 allosteric inhibitor compound 6
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-16
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022

 

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