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4PEH
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BU of 4peh by Molmil
Dbr1 in complex with synthetic linear RNA
Descriptor: GLYCEROL, MANGANESE (II) ION, RNA (5'-R(*CP*UP*AP*(A2P)P*AP*CP*AP*A)-3'), ...
Authors:Montemayor, E.J, Katolik, A, Clark, N.E, Taylor, A.B, Schuermann, J.P, Combs, D.J, Johnsson, R, Holloway, S.P, Stevens, S.W, Damha, M.J, Hart, P.J.
Deposit date:2014-04-23
Release date:2014-08-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
4PEF
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BU of 4pef by Molmil
Dbr1 in complex with sulfate
Descriptor: GLYCEROL, MANGANESE (II) ION, RNA lariat debranching enzyme, ...
Authors:Montemayor, E.J, Katolik, A, Clark, N.E, Taylor, A.B, Schuermann, J.P, Combs, D.J, Johnsson, R, Holloway, S.P, Stevens, S.W, Damha, M.J, Hart, P.J.
Deposit date:2014-04-23
Release date:2014-08-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural basis of lariat RNA recognition by the intron debranching enzyme Dbr1.
Nucleic Acids Res., 42, 2014
5XHF
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BU of 5xhf by Molmil
Crystal structure of Trastuzumab Fab fragment bearing p-azido-L-phenylalanine
Descriptor: polypeptide (H chain), polypeptide (L chain)
Authors:Kuratani, M, Yanagisawa, T, Sakamoto, K, Yokoyama, S.
Deposit date:2017-04-20
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.205 Å)
Cite:Extensive Survey of Antibody Invariant Positions for Efficient Chemical Conjugation Using Expanded Genetic Codes.
Bioconjug. Chem., 28, 2017
5XHG
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BU of 5xhg by Molmil
Crystal structure of Trastuzumab Fab fragment bearing Ne-(o-azidobenzyloxycarbonyl)-L-lysine
Descriptor: (2-azidophenyl)methyl hydrogen carbonate, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Kuratani, M, Yanagisawa, T, Sakamoto, K, Yokoyama, S.
Deposit date:2017-04-20
Release date:2017-12-20
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Extensive Survey of Antibody Invariant Positions for Efficient Chemical Conjugation Using Expanded Genetic Codes.
Bioconjug. Chem., 28, 2017
4HP3
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BU of 4hp3 by Molmil
Crystal structure of Tet3 in complex with a CpG dsDNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), LOC100036628 protein, UNKNOWN ATOM OR ION, ...
Authors:Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-10-23
Release date:2012-12-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
4HP1
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BU of 4hp1 by Molmil
Crystal structure of Tet3 in complex with a non-CpG dsDNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*C)-3'), LOC100036628 protein, ZINC ION
Authors:Chao, X, Tempel, W, Bian, C, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2012-10-23
Release date:2012-12-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Tet3 CXXC Domain and Dioxygenase Activity Cooperatively Regulate Key Genes for Xenopus Eye and Neural Development.
Cell(Cambridge,Mass.), 151, 2012
7MFL
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BU of 7mfl by Molmil
Structure of the Clostridium perfringens GH89 in complex with beta-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
7MFK
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BU of 7mfk by Molmil
Structure of the Clostridium perfringens GH89 in complex with alpha-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
3EBO
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BU of 3ebo by Molmil
Glycogen Phosphorylase b/Chrysin complex
Descriptor: Glycogen phosphorylase, muscle form, chrysin
Authors:Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M.
Deposit date:2008-08-28
Release date:2009-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol
Food Chem.Toxicol., 61, 2013
3EBP
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BU of 3ebp by Molmil
Glycogen Phosphorylase b/flavopiridol complex
Descriptor: 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Glycogen phosphorylase, muscle form
Authors:Oikonomakos, N.G, Zographos, S.E, Leonidas, D.D, Hayes, J.M, Tiraidis, C, Alexacou, K.-M.
Deposit date:2008-08-28
Release date:2009-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Sourcing the affinity of flavonoids for the glycogen phosphorylase inhibitor site via crystallography, kinetics and QM/MM-PBSA binding studies: Comparison of chrysin and flavopiridol
Food Chem.Toxicol., 61, 2013
6MOZ
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BU of 6moz by Molmil
Structure of acid-beta-glucosidase in complex with an aromatic pyrrolidine iminosugar inhibitor
Descriptor: (2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Patterson-Orazem, A.C, Lieberman, R.L.
Deposit date:2018-10-05
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploring substituent diversity on pyrrolidine-aryltriazole iminosugars: Structural basis of beta-glucocerebrosidase inhibition.
Bioorg.Chem., 86, 2019
7DC8
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BU of 7dc8 by Molmil
Crystal structure of Switch Ab Fab and hIL6R in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Interleukin-6 receptor subunit alpha, SULFATE ION, ...
Authors:Kadono, S, Fukami, T.A, Kawauchi, H, Torizawa, T, Mimoto, F.
Deposit date:2020-10-23
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.757 Å)
Cite:Exploitation of Elevated Extracellular ATP to Specifically Direct Antibody to Tumor Microenvironment.
Cell Rep, 33, 2020
7DC7
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BU of 7dc7 by Molmil
Crystal structure of D12 Fab-ATP complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D12 Fab heavy chain, D12 Fab light chain
Authors:Kawauchi, H, Fukami, T.A, Tatsumi, K, Torizawa, T, Mimoto, F.
Deposit date:2020-10-23
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Exploitation of Elevated Extracellular ATP to Specifically Direct Antibody to Tumor Microenvironment.
Cell Rep, 33, 2020
3VRU
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BU of 3vru by Molmil
VDR ligand binding domain in complex with 2-Methylidene-19,24-dinor-1alpha,25-dihydroxy vitaminD3
Descriptor: (1R,3R,7E,17beta)-17-[(2R)-5-hydroxy-5-methylhexan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K.
Deposit date:2012-04-14
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
3VRW
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BU of 3vrw by Molmil
VDR ligand binding domain in complex with 22S-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3
Descriptor: (1R,3R,7E,17beta)-17-[(2R,3S)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K.
Deposit date:2012-04-16
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
3VRV
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BU of 3vrv by Molmil
VDR ligand binding domain in complex with 2-Methylidene-26,27-dimethyl-19,24-dinor-1alpha,25-dihydroxyvitamin D3
Descriptor: (1R,3R,7E,17beta)-17-[(2R)-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Yoshimoto, N, Inaba, Y, Itoh, T, Nakabayashi, M, Ito, N, Yamamoto, K.
Deposit date:2012-04-14
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
3VRT
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BU of 3vrt by Molmil
VDR ligand binding domain in complex with 2-Mehylidene-19,25,26,27-tetranor-1alpha,24-dihydroxyvitaminD3
Descriptor: (1R,3R,7E,17beta)-17-[(2R)-5-hydroxypentan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 13-meric peptide from Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Nakabayashi, M, Yoshimoto, N, Inaba, Y, Itoh, T, Ito, N, Yamamoto, K.
Deposit date:2012-04-14
Release date:2012-05-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands
J.Med.Chem., 55, 2012
7CYW
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BU of 7cyw by Molmil
Crystal structure of a flavonoid C-glucosyltrasferase from Fagopyrum esculentum (FeCGTa) complexed with BrUTP
Descriptor: 5-bromouridine 5'-(tetrahydrogen triphosphate), ACETATE ION, UDP-glycosyltransferase 708C1
Authors:Koyanagi, Y, Taguchi, G, Arai, R.
Deposit date:2020-09-04
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a flavonoid C-glucosyltrasferase from Fagopyrum esculentum
To be published
8DZK
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BU of 8dzk by Molmil
Dbr1 in complex with 5-mer cleavage product
Descriptor: FE (II) ION, RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3'), RNA lariat debranching enzyme, ...
Authors:Clark, N.E, Taylor, A.B.
Deposit date:2022-08-08
Release date:2022-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the RNA Lariat Debranching Enzyme Dbr1 with Hydrolyzed Phosphorothioate RNA Product.
Biochemistry, 61, 2022
5K78
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BU of 5k78 by Molmil
Dbr1 in complex with 16-mer branched RNA
Descriptor: FE (II) ION, RNA lariat debranching enzyme, putative, ...
Authors:Clark, N.E, Taylor, A.B, Hart, P.J.
Deposit date:2016-05-25
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
5K77
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BU of 5k77 by Molmil
Dbr1 in complex with 7-mer branched RNA
Descriptor: FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ...
Authors:Clark, N.E, Taylor, A.B, Hart, P.J.
Deposit date:2016-05-25
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Metal dependence and branched RNA cocrystal structures of the RNA lariat debranching enzyme Dbr1.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5K71
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BU of 5k71 by Molmil
apo Dbr1
Descriptor: RNA lariat debranching enzyme, putative, SULFATE ION
Authors:Clark, N.E, Taylor, A.B, Hart, P.J.
Deposit date:2016-05-25
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
5K73
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BU of 5k73 by Molmil
as-isolated Dbr1 with Fe(II) and Zn(II)
Descriptor: FE (II) ION, HYDROXIDE ION, RNA lariat debranching enzyme, ...
Authors:Clark, N.E, Taylor, A.B, Hart, P.J.
Deposit date:2016-05-25
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The RNA lariat debranching enzyme Dbr1: metal dependence and branched RNA co-crystal structures
Proc.Natl.Acad.Sci.USA, 2016
5LQB
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BU of 5lqb by Molmil
Complex structure of human IL2 mutant, Proleukin, with Fab fragment of NARA1 antibody
Descriptor: Interleukin-2, anti-hIL2 FAB fragment heavy chain, anti-hIL2 FAB fragment light chain
Authors:Zou, C, Wirth, E.
Deposit date:2016-08-16
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Improved cancer immunotherapy by a CD25-mimobody conferring selectivity to human interleukin-2.
Sci Transl Med, 8, 2016
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