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6JXW
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BU of 6jxw by Molmil
Complex of SUMO2 bound SLS4 from ICP0.
Descriptor: SLS4-SIM from Ubiquitin E3 ligase ICP0, Small ubiquitin-related modifier 2
Authors:Hembram, D.S.S, Negi, H, Shet, D, Das, R.
Deposit date:2019-04-25
Release date:2020-02-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Viral SUMO-Targeted Ubiquitin Ligase ICP0 is Phosphorylated and Activated by Host Kinase Chk2.
J.Mol.Biol., 432, 2020
5LQG
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BU of 5lqg by Molmil
A two-quartet G-quadruplex formed by human telomere in KCl solution at neutral pH
Descriptor: DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3')
Authors:Galer, P, Wang, B, Sket, P, Plavec, J.
Deposit date:2016-08-17
Release date:2018-06-13
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Reversible pH Switch of Two-Quartet G-Quadruplexes Formed by Human Telomere.
Angew.Chem.Int.Ed.Engl., 55, 2016
5LQH
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BU of 5lqh by Molmil
A two-quartet G-quadruplex formed by human telomere in KCl solution at pH 5.0
Descriptor: DNA (5'-D(*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*G)-3')
Authors:Galer, P, Wang, B, Sket, P, Plavec, J.
Deposit date:2016-08-17
Release date:2018-01-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Reversible pH Switch of Two-Quartet G-Quadruplexes Formed by Human Telomere.
Angew.Chem.Int.Ed.Engl., 55, 2016
8D50
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BU of 8d50 by Molmil
Crystal Structure of Mosaic HIV-1 Envelope (MosM3.1) in Complex with antibodies PGT124 and 35O22 at 4.3 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ...
Authors:Xian, Y, Wilson, I.A.
Deposit date:2022-06-03
Release date:2023-12-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (4.32 Å)
Cite:Structural and Antigenic Characterization of B Cell Mosaic Env Trimers
To Be Published
1W46
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BU of 1w46 by Molmil
P4 protein from Bacteriophage PHI12 in complex with ADP and MG
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NTPASE P4
Authors:Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I.
Deposit date:2004-07-22
Release date:2004-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation
Cell(Cambridge,Mass.), 118, 2004
7PTR
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BU of 7ptr by Molmil
Structure of hexameric S-layer protein from Haloferax volcanii archaea
Descriptor: CALCIUM ION, Cell surface glycoprotein, beta-D-glucopyranose
Authors:von Kuegelgen, A, Bharat, T.A.M.
Deposit date:2021-09-27
Release date:2021-12-15
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Complete atomic structure of a native archaeal cell surface.
Cell Rep, 37, 2021
6Y5C
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BU of 6y5c by Molmil
The crystal structure of glycogen phosphorylase in complex with 52
Descriptor: 2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
Authors:Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2020-02-25
Release date:2020-08-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
8JS7
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BU of 8js7 by Molmil
Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme
Descriptor: GLYCEROL, IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y.
Deposit date:2023-06-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
8JS5
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BU of 8js5 by Molmil
Dimeric PAS domains of oxygen sensor FixL with ferric unliganded heme
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Sensor protein FixL
Authors:Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y.
Deposit date:2023-06-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
8JS6
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BU of 8js6 by Molmil
Dimeric PAS domains of oxygen sensor FixL in complex with cyanide-bound ferric heme
Descriptor: CYANIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kamaya, M, Koteishi, H, Sawai, H, Sugimoto, H, Shiro, Y.
Deposit date:2023-06-19
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dimeric PAS domains of oxygen sensor FixL in complex with imidazole-bound heme.
To be published
6YC6
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BU of 6yc6 by Molmil
Structure of C. glutamicum GlnK
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, PII protein
Authors:Grau, F.C, Muller, Y.A.
Deposit date:2020-03-18
Release date:2021-03-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of adenylylated and unadenylylated P II protein GlnK from Corynebacterium glutamicum.
Acta Crystallogr D Struct Biol, 77, 2021
8CQ1
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BU of 8cq1 by Molmil
Stem-Loop 4 of the 5'-UTR of the SARS-CoV2 genomic RNA
Descriptor: 5_SL4
Authors:Duchardt-Ferner, E, Voegele, J.
Deposit date:2023-03-03
Release date:2023-09-20
Last modified:2023-11-22
Method:SOLUTION NMR
Cite:High-resolution structure of stem-loop 4 from the 5'-UTR of SARS-CoV-2 solved by solution state NMR.
Nucleic Acids Res., 51, 2023
6YVE
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BU of 6yve by Molmil
Glycogen phosphorylase b in complex with pelargonidin 3-O-beta-D-glucoside
Descriptor: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ...
Authors:Drakou, C.E, Gardeli, C, Tsialtas, I, Alexopoulos, S, Mallouchos, A, Koulas, S, Tsagkarakou, A, Asimakopoulos, D, Leonidas, D.D, Psarra, A.M, Skamnaki, V.T.
Deposit date:2020-04-28
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Affinity Crystallography Reveals Binding of Pomegranate Juice Anthocyanins at the Inhibitor Site of Glycogen Phosphorylase: The Contribution of a Sugar Moiety to Potency and Its Implications to the Binding Mode.
J.Agric.Food Chem., 68, 2020
8FZQ
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BU of 8fzq by Molmil
Dehosphorylated, ATP-bound human cystic fibrosis transmembrane conductance regulator (CFTR)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Levring, J, Terry, D.S, Kilic, Z, Fitzgerald, G.A, Blanchard, S.C, Chen, J.
Deposit date:2023-01-29
Release date:2023-03-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:CFTR function, pathology and pharmacology at single-molecule resolution.
Nature, 616, 2023
6Y55
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BU of 6y55 by Molmil
The crystal structure of glycogen phosphorylase in complex with 43
Descriptor: 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
Authors:Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2020-02-24
Release date:2020-08-19
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
6YB8
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BU of 6yb8 by Molmil
Human octameric PAICS in complex with CAIR and SAICAR
Descriptor: (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid, 1,2-ETHANEDIOL, 5-AMINO-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, ...
Authors:Skerlova, J, Unterlass, J, Gottmann, M, Homan, E, Helleday, T, Jemth, A.S, Stenmark, P.
Deposit date:2020-03-16
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal structures of human PAICS reveal substrate and product binding of an emerging cancer target.
J.Biol.Chem., 295, 2020
8C6J
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BU of 8c6j by Molmil
Human spliceosomal PM5 C* complex
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent RNA helicase DHX8, ...
Authors:Dybkov, O, Kastner, B, Luehrmann, R.
Deposit date:2023-01-12
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Regulation of 3' splice site selection after step 1 of splicing by spliceosomal C* proteins.
Sci Adv, 9, 2023
6Y5O
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BU of 6y5o by Molmil
The crystal structure of glycogen phosphorylase in complex with 20
Descriptor: 2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one, Glycogen phosphorylase, muscle form
Authors:Kyriakis, E, Koulas, S.M, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2020-02-25
Release date:2020-08-19
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Synthetic flavonoid derivatives targeting the glycogen phosphorylase inhibitor site: QM/MM-PBSA motivated synthesis of substituted 5,7-dihydroxyflavones, crystallography, in vitro kinetics and ex-vivo cellular experiments reveal novel potent inhibitors.
Bioorg.Chem., 102, 2020
8OV1
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BU of 8ov1 by Molmil
SARS-CoV-2 nsp10-16 methyltransferase in complex with ADP
Descriptor: 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kremling, V, Sprenger, J, Oberthuer, D.
Deposit date:2023-04-25
Release date:2023-05-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structures of Tubercidin and Adenosine bound to the active site of the SARS-CoV-2 methyltransferase nsp10-16
To Be Published
8POQ
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BU of 8poq by Molmil
Crystal structure of wolbachia leucyl-tRNA synthetase editing domain
Descriptor: Leucine--tRNA ligase
Authors:Palencia, A, Lukarska, M.
Deposit date:2023-07-05
Release date:2024-06-12
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Targeting a microbiota Wolbachian aminoacyl-tRNA synthetase to block its pathogenic host.
Sci Adv, 10, 2024
8PKB
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BU of 8pkb by Molmil
Staphylococcus aureus endonuclease IV with bound phosphate
Descriptor: CHLORIDE ION, FE (III) ION, PHOSPHATE ION, ...
Authors:Saper, M, Kirillov, S, Rouvinski, A.
Deposit date:2023-06-26
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus
To Be Published
3GMW
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BU of 3gmw by Molmil
Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Complex with TEM-1 Beta-Lactamase
Descriptor: B-lactamase, Beta-lactamase inhibitory protein BLIP-I, PHOSPHATE ION
Authors:Lim, D.C, Gretes, M, Strynadka, N.C.J.
Deposit date:2009-03-15
Release date:2009-03-31
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP.
J.Mol.Biol., 389, 2009
3GPQ
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BU of 3gpq by Molmil
Crystal structure of macro domain of Chikungunya virus in complex with RNA
Descriptor: Non-structural protein 3, RNA (5'-R(*AP*AP*A)-3')
Authors:Malet, H, Jamal, S, Coutard, B, Canard, B.
Deposit date:2009-03-23
Release date:2009-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structures of Chikungunya and Venezuelan equine encephalitis virus nsP3 macro domains define a conserved adenosine binding pocket
J.Virol., 83, 2009
3GRR
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BU of 3grr by Molmil
Crystal Structure of the complex between S-Adenosyl Homocysteine and Methanocaldococcus jannaschi Dim1.
Descriptor: Dimethyladenosine transferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2009-03-26
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design.
Biochemistry, 49, 2010
3GRV
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BU of 3grv by Molmil
Crystal Structure of the Complex between Adenosine and Methanocaldococcus jannaschi Dim1
Descriptor: ADENOSINE, Dimethyladenosine transferase, SULFATE ION
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2009-03-26
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design.
Biochemistry, 49, 2010

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