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4C47
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BU of 4c47 by Molmil
Salmonella enterica trimeric lipoprotein SadB
Descriptor: INNER MEMBRANE LIPOPROTEIN
Authors:Grin, I, Linke, D, Hartmann, M.D.
Deposit date:2013-09-02
Release date:2014-01-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:A Trimeric Lipoprotein Assists in Trimeric Autotransporter Biogenesis in Enterobacteria.
J.Biol.Chem., 289, 2014
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
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
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
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
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
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
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
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:2024-10-23
Method:X-RAY DIFFRACTION (1.62 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:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
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:2024-10-23
Method:X-RAY DIFFRACTION (1.8 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:2024-11-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
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
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
8PTA
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BU of 8pta by Molmil
JNK1 covalently bound to BD837 cyclohexenone based inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
Authors:Sok, P, Poti, A, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Reversible covalent c-Jun N-terminal kinase inhibitors targeting a specific cysteine by precision-guided Michael-acceptor warheads.
Nat Commun, 15, 2024
8PT9
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BU of 8pt9 by Molmil
JNK1 covalently bound to BD838 cyclohexenone based inhibitor
Descriptor: Mitogen-activated protein kinase 8, methyl (1S,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
Authors:Sok, P, Poti, A, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Reversible covalent c-Jun N-terminal kinase inhibitors targeting a specific cysteine by precision-guided Michael-acceptor warheads.
Nat Commun, 15, 2024
8PT8
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BU of 8pt8 by Molmil
JNK1 covalently bound to RU135 cyclohexenone based inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
Authors:Sok, P, Poti, A, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Reversible covalent c-Jun N-terminal kinase inhibitors targeting a specific cysteine by precision-guided Michael-acceptor warheads.
Nat Commun, 15, 2024
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
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
5BYM
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BU of 5bym by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to SMX2 RNA
Descriptor: RNA (5'-R(*UP*GP*UP*AP*CP*UP*AP*UP*A)-3'), Suppressor protein MPT5
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2015-06-10
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
5BZU
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BU of 5bzu by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to AAT2 RNA
Descriptor: Suppressor protein MPT5, UGUAAUA
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2015-06-11
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
5BZ1
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BU of 5bz1 by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to MFA2 RNA
Descriptor: RNA (5'-R(*UP*GP*UP*AP*UP*UP*UP*GP*UP*A)-3'), Suppressor protein MPT5
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2015-06-11
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015
5BZ5
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BU of 5bz5 by Molmil
Crystal structure of the RNA-binding domain of yeast Puf5p bound to AMN1 RNA
Descriptor: RNA (5'-R(*UP*GP*UP*AP*AP*CP*UP*UP*UP*A)-3'), Suppressor protein MPT5
Authors:Qiu, C, Hall, T.M.T.
Deposit date:2015-06-11
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:RNA regulatory networks diversified through curvature of the PUF protein scaffold.
Nat Commun, 6, 2015

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