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7DF5
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BU of 7df5 by Molmil
Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor
Descriptor: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, CHLORIDE ION, Galectin-3, ...
Authors:Ghosh, K, Kumar, A.
Deposit date:2020-11-06
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
7DF6
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BU of 7df6 by Molmil
Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor
Descriptor: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, Galectin-3
Authors:Ghosh, K, Kumar, A.
Deposit date:2020-11-06
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
7C31
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BU of 7c31 by Molmil
Crystal structure of the grapevine defensin VvK1
Descriptor: Knot1 domain-containing protein
Authors:Chen, M.W, Chang, S.C, Chandy, K.G, Luo, D.
Deposit date:2020-05-10
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin.
Acs Pharmacol Transl Sci, 3, 2020
1UT5
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BU of 1ut5 by Molmil
Divalent metal ions (manganese) bound to T5 5'-exonuclease
Descriptor: EXODEOXYRIBONUCLEASE, MANGANESE (II) ION
Authors:Ceska, T.A, Sayers, J.R, Suck, D.
Deposit date:2003-12-04
Release date:2004-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Roles of Divalent Metal Ions in Flap Endonuclease-Substrate Interactions
Nat.Struct.Mol.Biol., 11, 2004
1UT8
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BU of 1ut8 by Molmil
Divalent metal ions (zinc) bound to T5 5'-exonuclease
Descriptor: EXODEOXYRIBONUCLEASE, ZINC ION
Authors:Ceska, T.A, Sayers, J.R, Suck, D.
Deposit date:2003-12-04
Release date:2004-02-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Roles of Divalent Metal Ions in Flap Endonuclease-Substrate Interactions
Nat.Struct.Mol.Biol., 11, 2004
4QUC
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BU of 4quc by Molmil
Crystal structure of chromodomain of Rhino
Descriptor: RE36324p
Authors:Li, S, Patel, D.J.
Deposit date:2014-07-10
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing.
Genes Dev., 28, 2014
4QUF
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BU of 4quf by Molmil
crystal structure of chromodomain of Rhino with H3K9me3
Descriptor: H3(1-15)K9me3 peptide, RE36324p
Authors:Li, S, Patel, D.J.
Deposit date:2014-07-10
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Transgenerationally inherited piRNAs trigger piRNA biogenesis by changing the chromatin of piRNA clusters and inducing precursor processing.
Genes Dev., 28, 2014
7C2P
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BU of 7c2p by Molmil
Structure of Egk Peptide
Descriptor: Plant defensing Egk
Authors:El Sahili, A.
Deposit date:2020-05-08
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin.
Acs Pharmacol Transl Sci, 3, 2020
5JA4
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BU of 5ja4 by Molmil
Crystal structure of human TONSL and MCM2 HBDs binding to a histone H3-H4 tetramer
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA replication licensing factor MCM2, GLYCEROL, ...
Authors:Huang, H, Patel, D.
Deposit date:2016-04-11
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:H4K20me0 marks post-replicative chromatin and recruits the TONSL-MMS22L DNA repair complex.
Nature, 534, 2016
5K7E
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BU of 5k7e by Molmil
The structure of pistol ribozyme, soaked with Mn2+
Descriptor: DNA/RNA 11-MER, MANGANESE (II) ION, RNA 47-MER
Authors:Ren, A, Patel, D.
Deposit date:2016-05-26
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage.
Nat.Chem.Biol., 12, 2016
2LA5
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BU of 2la5 by Molmil
RNA Duplex-Quadruplex Junction Complex with FMRP RGG peptide
Descriptor: Fragile X mental retardation 1 protein, RNA (36-MER)
Authors:Phan, A, Kuryavyi, V, Darnell, J, Serganov, A, Majumdar, A, Ilin, S, Darnell, R, Patel, D.
Deposit date:2011-03-03
Release date:2011-06-08
Last modified:2011-07-20
Method:SOLUTION NMR
Cite:Structure-function studies of FMRP RGG peptide recognition of an RNA duplex-quadruplex junction.
Nat.Struct.Mol.Biol., 18, 2011
5K7C
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BU of 5k7c by Molmil
The native structure of native pistol ribozyme
Descriptor: DNA/RNA 11-MER, MAGNESIUM ION, RNA 47-MER
Authors:Ren, A, Patel, D.
Deposit date:2016-05-26
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage.
Nat.Chem.Biol., 12, 2016
5K7D
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BU of 5k7d by Molmil
The structure of native pistol ribozyme, bound to Iridium
Descriptor: DNA/RNA 11-MER, IRIDIUM HEXAMMINE ION, MAGNESIUM ION, ...
Authors:Ren, A, Patel, D.
Deposit date:2016-05-26
Release date:2016-07-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage.
Nat.Chem.Biol., 12, 2016
5KDM
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BU of 5kdm by Molmil
Crystal structure of EBV tegument protein BNRF1 in complex with histone chaperone DAXX and histones H3.3-H4
Descriptor: Death domain-associated protein 6, Histone H3.3, Histone H4, ...
Authors:Huang, H, Patel, D.
Deposit date:2016-06-08
Release date:2016-09-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis underlying viral hijacking of a histone chaperone complex.
Nat Commun, 7, 2016
5XQ2
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BU of 5xq2 by Molmil
Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 5A6 on the guide strand
Descriptor: DNA (5'-D(*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(*AP*GP*T)-3'), DNA (5'-D(P*TP*GP*AP*AP*GP*AP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*T)-3'), ...
Authors:Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, D, Wang, Y.
Deposit date:2017-06-06
Release date:2017-10-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.33 Å)
Cite:Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes
Nucleic Acids Res., 45, 2017
1SI2
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BU of 1si2 by Molmil
Crystal structure of the PAZ domain of human eIF2c1 in complex with a 9-mer siRNA-like duplex of deoxynucleotide overhang
Descriptor: 5'-R(*CP*GP*UP*GP*AP*CP*U)-D(P*CP*T)-3', Eukaryotic translation initiation factor 2C 1
Authors:Ye, K, Ma, J.B, Patel, D.
Deposit date:2004-02-26
Release date:2004-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for overhang-specific small interfering RNA recognition by the PAZ domain.
Nature, 429, 2004
1SI3
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BU of 1si3 by Molmil
Crystal structure of the PAZ domain of human eIF2c1 in complex with a 9-mer siRNA-like duplex
Descriptor: 5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3', Eukaryotic translation initiation factor 2C 1
Authors:Ye, K, Ma, J.B, Patel, D.
Deposit date:2004-02-27
Release date:2004-05-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for overhang-specific small interfering RNA recognition by the PAZ domain.
Nature, 429, 2004
3FT8
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BU of 3ft8 by Molmil
Structure of HSP90 bound with a noval fragment.
Descriptor: (5E,7S)-2-amino-7-(4-fluoro-2-pyridin-3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-5(6H)-one oxime, Heat shock protein HSP 90-alpha
Authors:Barker, J.B, Cheng, R.K.Y, Palan, S, Felicetti, B.
Deposit date:2009-01-12
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fragment-based identification of Hsp90 inhibitors.
Chemmedchem, 4, 2009
3FT5
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BU of 3ft5 by Molmil
Structure of HSP90 bound with a novel fragment
Descriptor: 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine, Heat shock protein HSP 90-alpha
Authors:Barker, J.B, Mather, O, Cheng, R.K.Y, Palan, S, Felicetti, B.
Deposit date:2009-01-12
Release date:2009-05-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4, 2009
5DDO
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BU of 5ddo by Molmil
Structural and Dynamic Basis for Low Affinity-High Selectivity Binding of L-glutamine by the Gln-riboswitch
Descriptor: L-glutamine riboswitch (58-MER), U1 small nuclear ribonucleoprotein A
Authors:Ren, A, Patel, D.
Deposit date:2015-08-25
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
3PO8
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BU of 3po8 by Molmil
Structural and functional analysis of phosphothreonine-dependent FHA domain interactions
Descriptor: PHOSPHATE ION, Putative uncharacterized protein TB39.8
Authors:Pennell, S, Smerdon, S.J.
Deposit date:2010-11-22
Release date:2011-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and functional analysis of phosphothreonine-dependent FHA domain interactions
Structure, 18, 2010
3POA
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BU of 3poa by Molmil
Structural and functional analysis of phosphothreonine-dependent FHA domain interactions
Descriptor: Putative uncharacterized protein TB39.8, ZINC ION, synthetic phosphopeptide
Authors:Pennell, S, Smerdon, S.J.
Deposit date:2010-11-22
Release date:2011-01-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and functional analysis of phosphothreonine-dependent FHA domain interactions
Structure, 18, 2010
2KU7
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BU of 2ku7 by Molmil
Solution structure of MLL1 PHD3-Cyp33 RRM chimeric protein
Descriptor: MLL1 PHD3-Cyp33 RRM chimeric protein
Authors:Song, J, Wang, Z, Patel, D.
Deposit date:2010-02-12
Release date:2010-07-07
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Pro isomerization in MLL1 PHD3-bromo cassette connects H3K4me readout to CyP33 and HDAC-mediated repression.
Cell(Cambridge,Mass.), 141, 2010
5AN3
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BU of 5an3 by Molmil
Structure of an Sgt1-Skp1 Complex
Descriptor: SGT1, SUPPRESSOR OF KINETOCHORE PROTEIN 1
Authors:Willhoft, O, Vaughan, C.K.
Deposit date:2015-09-03
Release date:2017-02-08
Last modified:2017-02-15
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:The crystal structure of the Sgt1-Skp1 complex: the link between Hsp90 and both SCF E3 ubiquitin ligases and kinetochores.
Sci Rep, 7, 2017
8BOU
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BU of 8bou by Molmil
Crystal structure of Blautia producta GH94
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Levy, C.W.
Deposit date:2022-11-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Blautia producta is a competent degrader among human gut Firmicutes for utilizing dietary beta mixed linkage glucan
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