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4N8E
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BU of 4n8e by Molmil
DPP4 complexed with compound 12a
Descriptor: 1-[cis-4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Ostermann, N, Zink, F, Kroemer, M.
Deposit date:2013-10-17
Release date:2014-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
5FVG
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BU of 5fvg by Molmil
Structure of IrisFP at 100 K.
Descriptor: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION
Authors:Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M.
Deposit date:2016-02-07
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett, 7, 2016
6Q8R
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BU of 6q8r by Molmil
HEW Lysozyme under 2 kbar of argon
Descriptor: ACETATE ION, ARGON, CHLORIDE ION, ...
Authors:Prange, T, Carpentier, P, Colloc'h, N.
Deposit date:2018-12-16
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Labelling protein crystals by argon at 2 kbar
To be published
6Q8Q
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BU of 6q8q by Molmil
Bovine Insulin under 2 kbar of argon
Descriptor: ARGON, Insulin
Authors:Prange, T, Carpentier, P.
Deposit date:2018-12-16
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Argon-labelling protein crystals by high pressure cooling at 2 kbar
To be published
6QAR
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BU of 6qar by Molmil
Thermolysine under 2 kbar of argon
Descriptor: ARGON, CALCIUM ION, CHLORIDE ION, ...
Authors:Prange, T, Carpentier, P.
Deposit date:2018-12-19
Release date:2020-01-15
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Labelling protein crystals by argon at 2 kbar
To be published
5FVI
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BU of 5fvi by Molmil
Structure of IrisFP in mineral grease at 100 K.
Descriptor: Green to red photoconvertible GFP-like protein EosFP, SULFATE ION
Authors:Colletier, J.P, Gallat, F.X, Coquelle, N, Weik, M.
Deposit date:2016-02-07
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Serial Femtosecond Crystallography and Ultrafast Absorption Spectroscopy of the Photoswitchable Fluorescent Protein Irisfp.
J.Phys.Chem.Lett., 7, 2016
3M9Y
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BU of 3m9y by Molmil
Crystal structure of Triosephosphate isomerase from methicillin resistant Staphylococcus aureus at 1.9 Angstrom resolution
Descriptor: CITRIC ACID, SODIUM ION, Triosephosphate isomerase
Authors:Mukherjee, S, Dutta, D, Saha, B, Das, A.K.
Deposit date:2010-03-23
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of triosephosphate isomerase from methicillin resistant Staphylococcus aureus MRSA252 provide structural insights into novel modes of ligand binding and unique conformations of catalytic loop
Biochimie, 94, 2012
4N8D
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BU of 4n8d by Molmil
DPP4 complexed with syn-7aa
Descriptor: 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ...
Authors:Ostermann, N, Zink, F, Kroemer, M.
Deposit date:2013-10-17
Release date:2014-02-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.
Bioorg.Med.Chem.Lett., 24, 2014
4FW8
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BU of 4fw8 by Molmil
Crystal structure of FABG4 complexed with Coenzyme NADH
Descriptor: (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-oxoacyl-(Acyl-carrier-protein) reductase
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2012-06-30
Release date:2012-11-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal structure of hexanoyl-CoA bound to beta-ketoacyl reductase FabG4 of Mycobacterium tuberculosis
Biochem.J., 450, 2013
4H35
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BU of 4h35 by Molmil
Feruloyl Esterase Domain of XYNY from Clostridium thermocellum before exposure to 266nm UV laser
Descriptor: CADMIUM ION, Endo-1,4-beta-xylanase Y
Authors:Pereira, P.J.B, de Sanctis, D.
Deposit date:2012-09-13
Release date:2012-12-12
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:In-house UV radiation-damage-induced phasing of selenomethionine-labeled protein structures.
J.Struct.Biol., 181, 2013
4D17
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BU of 4d17 by Molmil
Crystal structure of cofactor-free urate oxidase in complex with its 5-peroxoisourate intermediate (X-ray dose, 106 kGy)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(HYDRO)PEROXOISOURATE, OXYGEN MOLECULE, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2014-05-01
Release date:2014-11-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Angew. Chem. Int. Ed. Engl., 53, 2014
4CW3
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BU of 4cw3 by Molmil
Crystal structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-metyl uric acid (X-ray dose, 665 kGy)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, 9-METHYL URIC ACID, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2014-04-01
Release date:2014-10-29
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Angew. Chem. Int. Ed. Engl., 53, 2014
4CW6
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BU of 4cw6 by Molmil
Crystal structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-metyl uric acid (X-ray dose, 92 kGy)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, 9-METHYL URIC ACID, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2014-04-01
Release date:2014-10-29
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Angew. Chem. Int. Ed. Engl., 53, 2014
4D12
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BU of 4d12 by Molmil
Crystal Structure of Cofactor-free Urate Oxidase Anaerobically Complexed with Uric Acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, URIC ACID, URICASE
Authors:Bui, S, Steiner, R.A.
Deposit date:2014-05-01
Release date:2014-10-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Angew. Chem. Int. Ed. Engl., 53, 2014
4CW0
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BU of 4cw0 by Molmil
Crystal structure of cofactor-free urate oxidase anaerobically complexed with 9-methyl uric acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 9-METHYL URIC ACID, URICASE
Authors:Bui, S, Steiner, R.A.
Deposit date:2014-03-31
Release date:2014-10-29
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Angew. Chem. Int. Ed. Engl., 53, 2014
4D13
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BU of 4d13 by Molmil
Crystal structure of cofactor-free urate oxidase in complex with its 5-peroxoisourate intermediate (X-ray dose, 2.2 kGy)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(HYDRO)PEROXOISOURATE, URICASE
Authors:Bui, S, Steiner, R.A.
Deposit date:2014-05-01
Release date:2014-10-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Angew. Chem. Int. Ed. Engl., 53, 2014
4CW2
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BU of 4cw2 by Molmil
Crystal structure of cofactor-free urate oxidase in complex with the 5-peroxo derivative of 9-metyl uric acid (X-ray dose, 2.5 kGy)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (5S)-5-(dioxidanyl)-9-methyl-7H-purine-2,6,8-trione, URICASE
Authors:Bui, S, Steiner, R.A.
Deposit date:2014-04-01
Release date:2014-10-29
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Angew. Chem. Int. Ed. Engl., 53, 2014
4D19
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BU of 4d19 by Molmil
Crystal structure of cofactor-free urate oxidase in complex with its 5-peroxoisourate intermediate (X-ray dose, 1.75 MGy)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(HYDRO)PEROXOISOURATE, OXYGEN MOLECULE, ...
Authors:Bui, S, Steiner, R.A.
Deposit date:2014-05-01
Release date:2014-10-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase.
Angew. Chem. Int. Ed. Engl., 53, 2014
4P78
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BU of 4p78 by Molmil
HicA3 and HicB3 toxin-antitoxin complex
Descriptor: GLYCEROL, HicA3 Toxin, HicB3 antitoxin
Authors:Li de la Sierra-Gallay, I, Bibi-Triki, S, van Tilbeurgh, H, Lazar, N, Pradel, E.
Deposit date:2014-03-26
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Functional and Structural Analysis of HicA3-HicB3, a Novel Toxin-Antitoxin System of Yersinia pestis.
J.Bacteriol., 196, 2014
4P7D
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BU of 4p7d by Molmil
Antitoxin HicB3 crystal structure
Descriptor: Antitoxin HicB3, CHLORIDE ION
Authors:Li de la Sierra-Gallay, I, Bibi-Triki, S, van Tilbeurgh, H, Lazar, N, Pradel, E.
Deposit date:2014-03-27
Release date:2014-08-27
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (2.781 Å)
Cite:Functional and Structural Analysis of HicA3-HicB3, a Novel Toxin-Antitoxin System of Yersinia pestis.
J.Bacteriol., 196, 2014
2QPQ
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BU of 2qpq by Molmil
Structure of Bug27 from Bordetella pertussis
Descriptor: CITRIC ACID, protein Bug27
Authors:Herrou, J, Bompard, C.
Deposit date:2007-07-25
Release date:2007-08-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-based mechanism of ligand binding for periplasmic solute-binding protein of the Bug family.
J.Mol.Biol., 373, 2007
6IC1
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BU of 6ic1 by Molmil
urate oxidase under 90 bar of krypton
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 8-AZAXANTHINE, ACETATE ION, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-12-01
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
6IA3
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BU of 6ia3 by Molmil
urate oxidase under 220 bar (22 MPa) of argon
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 8-AZAXANTHINE, ARGON, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
6GCB
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BU of 6gcb by Molmil
Crystal structure of glutathione transferase Xi 3 from Trametes versicolor in complex with glutathione
Descriptor: GLUTATHIONE, Glutathione transferase Xi 3 from Trametes versicolor
Authors:Schwartz, M, Favier, F, Didierjean, C.
Deposit date:2018-04-17
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:Trametes versicolor glutathione transferase Xi 3, a dual Cys-GST with catalytic specificities of both Xi and Omega classes.
FEBS Lett., 592, 2018
6IA1
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BU of 6ia1 by Molmil
urate oxidase under 120 bar of argon
Descriptor: 8-AZAXANTHINE, ACETATE ION, ARGON, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022

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