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2JVZ
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BU of 2jvz by Molmil
Solution NMR Structure of the Second and Third KH Domains of KSRP
Descriptor: Far upstream element-binding protein 2
Authors:Diaz-Moreno, I, Hollingworth, D, Garcia-Mayoral, M.F, Kelly, G, Cukier, C.D, Ramos, A.
Deposit date:2007-09-28
Release date:2009-02-17
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of the Second and Third KH Domains of KSRP
To be Published, 2007
2MPW
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BU of 2mpw by Molmil
Solution structure of the LysM region of the E. coli Intimin periplasmic domain
Descriptor: Intimin
Authors:Coles, M, Chaubey, M, Leo, J.C, Linke, D, Schuetz, M.C, Goetz, F, Autenrieth, I.B.
Deposit date:2014-06-05
Release date:2014-11-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The Intimin periplasmic domain mediates dimerisation and binding to peptidoglycan.
Mol.Microbiol., 95, 2015
2N8L
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BU of 2n8l by Molmil
Zipcode-binding-protein-1 KH3KH4(DD) domains in complex with the KH3 RNA target
Descriptor: Insulin-like growth factor 2 mRNA-binding protein 1, RNA (5'-R(P*GP*CP*AP*CP*AP*CP*CP*C)-3')
Authors:Nicastro, G, Candel, A.M, Ramos, A, Hollingworth, D.
Deposit date:2015-10-21
Release date:2017-01-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Zipcode-binding-protein-1 KH3KH4(DD) domains in complex with the RNA target GCACACCC
To be Published
2N8M
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BU of 2n8m by Molmil
Zipcode-binding-protein-1 KH3(DD)KH4 domains in complex with the KH4 RNA target
Descriptor: Insulin-like growth factor 2 mRNA-binding protein 1, RNA (5'-R(P*UP*CP*GP*GP*AP*CP*U)-3')
Authors:Nicastro, G, Ramos, A, Candel, A, Hollingworth, D.
Deposit date:2015-10-21
Release date:2017-01-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Zipcode-binding-protein-1 KH3(DD)KH4 domains in complex with the RNA target UCGGACU
To be Published
5UBK
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BU of 5ubk by Molmil
Inactive S1A/N269D-cpPvdQ mutant in complex with the pyoverdine precursor PVDIq reveals a specific binding pocket for the D-Tyr of this substrate
Descriptor: Acyl-homoserine lactone acylase PvdQ, N-[(1R)-1-{(6S)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-N~2~-tetradecanoyl-L-glutamine
Authors:Mascarenhas, R, Catlin, D, Wu, R, Clevenger, K, Fast, W, Liu, D.
Deposit date:2016-12-20
Release date:2017-03-01
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Circular Permutation Reveals a Chromophore Precursor Binding Pocket of the Siderophore Tailoring Enzyme PvdQ
To Be Published
2KXH
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BU of 2kxh by Molmil
Solution structure of the first two RRM domains of FIR in the complex with FBP Nbox peptide
Descriptor: Poly(U)-binding-splicing factor PUF60, peptide of Far upstream element-binding protein 1
Authors:Cukier, C.D, Ramos, A, Hollingworth, D, Diaz-Moreno, I, Kelly, G.
Deposit date:2010-05-05
Release date:2010-08-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular basis of FIR-mediated c-myc transcriptional control.
Nat.Struct.Mol.Biol., 17, 2010
2KXF
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BU of 2kxf by Molmil
Solution structure of the first two RRM domains of FBP-interacting repressor (FIR)
Descriptor: Poly(U)-binding-splicing factor PUF60
Authors:Cukier, C.D, Ramos, A, Hollingworth, D, Diaz-Moreno, I, Kelly, G.
Deposit date:2010-05-04
Release date:2010-08-18
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Molecular basis of FIR-mediated c-myc transcriptional control.
Nat.Struct.Mol.Biol., 17, 2010
2LME
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BU of 2lme by Molmil
Solid-state NMR structure of the membrane anchor domain of the trimeric autotransporter YadA
Descriptor: Adhesin yadA
Authors:Shahid, S.A, Bardiaux, B, Franks, W.T, Habeck, M, Linke, D, van Rossum, B.
Deposit date:2011-11-30
Release date:2012-11-07
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Membrane-protein structure determination by solid-state NMR spectroscopy of microcrystals.
Nat.Methods, 9, 2012
2MVO
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BU of 2mvo by Molmil
Solution structure of the lantibiotic self-resistance lipoprotein MlbQ from Microbispora ATCC PTA-5024
Descriptor: Putative lipoprotein
Authors:Pozzi, R, Schwartz, P, Linke, D, Kulik, A, Nega, M, Wohlleben, W, Stegmann, E, Coles, M.
Deposit date:2014-10-09
Release date:2015-07-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Distinct mechanisms contribute to immunity in the lantibiotic NAI-107 producer strain Microbispora ATCC PTA-5024.
Environ Microbiol, 18, 2016
4W7L
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BU of 4w7l by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. D168N MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
4W7N
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BU of 4w7n by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. Y147S AND W377S DOUBLE MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
4W7O
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BU of 4w7o by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. G169L, Y147S AND W377S TRIPLE MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
5NFS
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BU of 5nfs by Molmil
Structure of coxsackievirus B3 3C protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, Genome polyprotein
Authors:Ma, Q, Zhang, L, Hilgenfeld, R.
Deposit date:2017-03-15
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5N5O
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BU of 5n5o by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide, Replicase polyprotein 1ab
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5NH0
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BU of 5nh0 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2017-03-21
Release date:2018-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5N19
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BU of 5n19 by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, DIMETHYL SULFOXIDE, SARS coronavirus main protease
Authors:Zhang, L, Ma, Q, Hilgenfeld, R.
Deposit date:2017-02-05
Release date:2018-02-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
4W7J
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BU of 4w7j by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
4W7M
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BU of 4w7m by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. W377S MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
4W7K
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BU of 4w7k by Molmil
CRYSTAL STRUCTURE OF A DECOLORIZING PEROXIDASE (DYP) FROM AURICULARIA AURICULA-JUDAE. Y147S MUTANT
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Medrano, F.J, Romero, A.
Deposit date:2014-08-22
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study.
Biochem.J., 466, 2015
5IKG
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BU of 5ikg by Molmil
Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Romero, A, Davo-Siguero, I, Martinez, A.T.
Deposit date:2016-03-03
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Catalysis Science And Technology, 6, 2016
5IKD
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BU of 5ikd by Molmil
Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Descriptor: Dye-decolorizing peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Romero, A, Davo-Siguero, I, Martinez, A.T.
Deposit date:2016-03-03
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.109 Å)
Cite:Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase
Catalysis Science And Technology, 2016
6P2B
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BU of 6p2b by Molmil
Tethered PXR-LBD/SRC-1p bound to Garcinoic Acid
Descriptor: (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid, DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2
Authors:Walton, W.G, Pellock, S.J, Redinbo, M.R.
Deposit date:2019-05-21
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Garcinoic Acid Is a Natural and Selective Agonist of Pregnane X Receptor.
J.Med.Chem., 63, 2020
5M1T
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BU of 5m1t by Molmil
PaMucR Phosphodiesterase, c-di-GMP complex
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, MucR Phosphodiesterase
Authors:Hutchin, A, Tews, I, Walsh, M.A.
Deposit date:2016-10-10
Release date:2017-03-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
5I26
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BU of 5i26 by Molmil
Azurin T30R1, crystal form I
Descriptor: Azurin, COPPER (II) ION
Authors:Hagelueken, G.
Deposit date:2016-02-08
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Determination of nitroxide spin label conformations via PELDOR and X-ray crystallography.
Phys Chem Chem Phys, 18, 2016
5I28
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BU of 5i28 by Molmil
Azurin T30R1, crystal form II
Descriptor: Azurin, COPPER (II) ION, GLYCEROL
Authors:Hagelueken, G.
Deposit date:2016-02-08
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Determination of nitroxide spin label conformations via PELDOR and X-ray crystallography.
Phys Chem Chem Phys, 18, 2016

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