1HHX
 
 | | Solution structure of LNA3:RNA hybrid | | Descriptor: | 5- D(*CP*+TP*GP*AP*+TP*AP*+TP*GP*C) -3, 5- R(*GP*CP*AP*UP*AP*UP*CP*AP*G) -3 | | Authors: | Petersen, M, Bondensgaard, K, Wengel, J, Jacobsen, J.P. | | Deposit date: | 2000-12-29 | | Release date: | 2002-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Locked Nucleic Acid (Lna) Recognition of RNA: NMR Solution Structures of Lna:RNA Hybrids
J.Am.Chem.Soc., 124, 2002
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1HHW
 | | Solution structure of LNA1:RNA hybrid | | Descriptor: | 5- D(*CP*TP*GP*AP*+TLNP*AP*TP*GP*C) -3, 5- R(*GP*CP*AP*UP*AP*UP*CP*AP*G) -3 | | Authors: | Petersen, M, Bondensgaard, K, Wengel, J, Jacobsen, J.P. | | Deposit date: | 2000-12-29 | | Release date: | 2002-05-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Locked Nucleic Acid (Lna) Recognition of RNA: NMR Solution Structures of Lna:RNA Hybrids
J.Am.Chem.Soc., 124, 2002
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1HG9
 | | Solution structure of DNA:RNA hybrid | | Descriptor: | 5- D(*CP*TP*GP*AP*TP*AP*TP*GP*C) -3, 5- R(*GP*CP*AP*UP*AP*UP*CP*AP*G) -3 | | Authors: | Petersen, M, Bondensgaard, K, Wengel, J, Jacobsen, J.P. | | Deposit date: | 2000-12-13 | | Release date: | 2002-01-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural studies of LNA:RNA duplexes by NMR: conformations and implications for RNase H activity.
Chemistry, 6, 2000
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8RMN
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8ATL
 | | Discovery of IRAK4 Inhibitor 23 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-08-23 | | Release date: | 2023-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.464 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8ATN
 | | Discovery of IRAK4 Inhibitor 38 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-08-23 | | Release date: | 2023-09-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.171 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8ATB
 | | Discovery of IRAK4 Inhibitor 16 | | Descriptor: | GLYCEROL, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-08-22 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8BR6
 | | Discovery of IRAK4 Inhibitor 40 | | Descriptor: | ACETATE ION, Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wengner, A.M, Guimond, N, Thaler, T, Platzek, J, Ewerspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-11-22 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.167 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8BR5
 | | Discovery of IRAK4 Inhibitor 41 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-11-22 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8BR7
 | | Discovery of IRAK4 Inhibitors BAY1834845 and BAY1830839 | | Descriptor: | 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | Deposit date: | 2022-11-22 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.119 Å) | | Cite: | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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2L4F
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3BAZ
 | | Structure of hydroxyphenylpyruvate reductase from coleus blumei in complex with NADP+ | | Descriptor: | Hydroxyphenylpyruvate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Janiak, V, Klebe, G, Petersen, M, Heine, A. | | Deposit date: | 2007-11-09 | | Release date: | 2008-11-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth
Acta Crystallogr.,Sect.D, 66, 2010
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2L4E
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3BA1
 | | Structure of hydroxyphenylpyruvate reductase from coleus blumei | | Descriptor: | Hydroxyphenylpyruvate reductase | | Authors: | Janiak, V, Klebe, G, Petersen, M, Heine, A. | | Deposit date: | 2007-11-07 | | Release date: | 2008-11-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth.
Acta Crystallogr.,Sect.D, 66, 2010
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4EMS
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4EVI
 | | Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol 9-Methyl Ether and S -Adenosyl-L-Homocysteine | | Descriptor: | 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, ... | | Authors: | Wolters, S, Heine, A, Petersen, M. | | Deposit date: | 2012-04-26 | | Release date: | 2013-05-01 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
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4E70
 | | Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol | | Descriptor: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, GLYCEROL | | Authors: | Wolters, S, Heine, A, Petersen, M. | | Deposit date: | 2012-03-16 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6093 Å) | | Cite: | Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
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1W86
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2WCN
 | | Solution structure of an LNA-modified quadruplex | | Descriptor: | DNA (5'-D(*DGP*LCG*DGP*LCG*DTP*DTP*DTP *DTP*DGP*LCG*DGP*LCG)-3') | | Authors: | Nielsen, J.T, Arar, K, Petersen, M. | | Deposit date: | 2009-03-12 | | Release date: | 2009-11-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Locked Nucleic Acid Modified Quadruplex: Introducing the V4 Folding Topology.
Angew.Chem.Int.Ed.Engl., 48, 2009
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1OKF
 | | NMR structure of an alpha-L-LNA:RNA hybrid | | Descriptor: | 5'-D(*CP*ATLP*GP*AP*ATLP*AP*ATLP*GP*CP)-3', 5'-R(*GP*CP*AP*UP*AP*UP*CP*AP*GP)-3' | | Authors: | Nielsen, J.T, Stein, P.C, Petersen, M. | | Deposit date: | 2003-07-23 | | Release date: | 2003-10-09 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of an Alpha-L-Lna:RNA Hybrid: Structural Implications for Rnase H Recognition
Nucleic Acids Res., 31, 2003
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1OCI
 | | [3.2.0]bcANA:DNA | | Descriptor: | 5'-D(*CP*TP*GP*A TLBP*AP*TP*GP*CP)-3', 5'-D(*GP*CP*AP*TP*AP*TP*CP*AP*GP)-3' | | Authors: | Tommerholt, H.V, Christensen, N.K, Nielsen, P, Wengel, J, Stein, P.C, Jacobsen, J.P, Petersen, M. | | Deposit date: | 2003-02-07 | | Release date: | 2003-07-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structure of a DsDNA Containing a Bicyclic D-Arabino-Configured Nucleotide Fixed in an O4'-Endo Sugar Conformation
Org.Biomol.Chem., 1, 2003
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1S88
 | | NMR structure of a DNA duplex with two INA nucleotides inserted opposite each other, dCTCAACXCAAGCT:dAGCTTGXGTTGAG | | Descriptor: | 5'-D(*AP*GP*CP*TP*TP*GP*(2DM)P*GP*TP*TP*GP*AP*G)-3', 5'-D(*CP*TP*CP*AP*AP*CP*(2DM)P*CP*AP*AP*GP*CP*T)-3' | | Authors: | Nielsen, C.B, Petersen, M, Pedersen, E.B, Hansen, P.E, Christensen, U.B. | | Deposit date: | 2004-01-31 | | Release date: | 2004-05-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure determination of a modified DNA oligonucleotide containing a new intercalating nucleic acid.
Bioconjug.Chem., 15, 2004
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1GV6
 | | Solution structure of alfa-L-LNA:DNA duplex | | Descriptor: | 5- D(*CP*(ATL)P*GP*CP*(ATL)P*(ATL)P*CP*(ATL)P* GP*C) -3, 5- D(*GP*CP*AP*GP*AP*AP*GP*CP*AP*G) -3 | | Authors: | Nielsen, K.M.E, Petersen, M, Haakansson, A.E, Wengel, J, Jacobsen, J.P. | | Deposit date: | 2002-02-06 | | Release date: | 2002-07-05 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Alfa-L-Lna (Alfa-L-Ribo Configured Locked Nucleic Acid) Recognition of DNA: An NMR Spectroscopic Study
Chemistry, 8, 2002
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1H0Q
 | | NMR solution structure of a fully modified locked nucleic acid (LNA) hybridized to RNA | | Descriptor: | 5-D(*(LKC)P*(TLN)P*(LCG)P*(LCA)P*(TLN)P*(LCA)P* (TLN)P*(LCG)P*(LCC))-3, 5-R(*GP*CP*AP*UP*AP*UP*CP*AP*G)-3 | | Authors: | Rasmussen, J, Petersen, M, Nielsen, K.E, Kumar, R, Wengel, J, Jacobsen, J.P. | | Deposit date: | 2002-06-27 | | Release date: | 2003-07-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Studies of Fully Modified Locked Nucleic Acid (Lna) Hybrids: Solution Structure of an Lna:RNA Hybrid and Characterization of an Lna:RNA Hybrid
Bioconjug.Chem., 15, 2004
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2CHK
 | | NMR structure of TLLLLT quadruplex | | Descriptor: | 5'-D(*T LCG LCG LCG LCGP*TP)-3' | | Authors: | Nielsen, J.T, Petersen, M. | | Deposit date: | 2006-03-15 | | Release date: | 2006-04-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Solution Structures of Lna (Locked Nucleic Acid) Modified Quadruplexes
Nucleic Acids Res., 34, 2006
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