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6YXF
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BU of 6yxf by Molmil
Cryogenic human adiponectin receptor 2 (ADIPOR2) with Gd-DO3 ligand determined by Serial Crystallography (SSX) using CrystalDirect
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, Adiponectin receptor protein 2, ...
Authors:Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A.
Deposit date:2020-05-01
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.025 Å)
Cite:An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
6YXH
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BU of 6yxh by Molmil
Cryogenic human alkaline ceramidase 3 (ACER3) at 2.6 A resolution determined by Serial Crystallography (SSX) using CrystalDirect
Descriptor: Alkaline ceramidase 3, CALCIUM ION, MAGNESIUM ION, ...
Authors:Healey, R.D, Basu, S, Humm, A.S, Leyrat, C, Dupeux, F, Pica, A, Granier, S, Marquez, J.A.
Deposit date:2020-05-01
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An automated platform for structural analysis of membrane proteins through serial crystallography.
Cell Rep Methods, 1, 2021
5OD6
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BU of 5od6 by Molmil
Crystal structure of Smad3-MH1 bound to the GGCGC site.
Descriptor: DNA (5'-D(P*TP*GP*CP*AP*GP*GP*CP*GP*CP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 3, ZINC ION
Authors:Kaczmarska, Z, Marquez, J.A, Macias, M.J.
Deposit date:2017-07-04
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5ODG
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BU of 5odg by Molmil
Crystal structure of Smad3-MH1 bound to the GGCT site.
Descriptor: CHLORIDE ION, DNA (5'-D(P*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), Mothers against decapentaplegic homolog 3, ...
Authors:Kaczmarska, Z, Marquez, J.A, Macias, M.J.
Deposit date:2017-07-05
Release date:2017-11-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
5MF0
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BU of 5mf0 by Molmil
Crystal structure of Smad4-MH1 bound to the GGCCG site.
Descriptor: CHLORIDE ION, DNA (5'-D(P*AP*CP*GP*GP*GP*CP*CP*GP*CP*GP*GP*CP*CP*CP*GP*T)-3'), MH1 domain of human Smad4, ...
Authors:Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J.
Deposit date:2016-11-16
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors.
Nat Commun, 8, 2017
4C9C
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BU of 4c9c by Molmil
Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 1E protein (Form A)
Descriptor: GLYCEROL, MAJOR STRAWBERRY ALLERGEN FRA A 1-E, SULFATE ION
Authors:Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A.
Deposit date:2013-10-02
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates.
J.Biol.Chem., 288, 2013
4C94
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BU of 4c94 by Molmil
Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 3 protein in complex with Catechin
Descriptor: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, FRA A 3 ALLERGEN
Authors:Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A.
Deposit date:2013-10-02
Release date:2013-10-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates.
J.Biol.Chem., 288, 2013
2X89
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BU of 2x89 by Molmil
Structure of the Beta2_microglobulin involved in amyloidogenesis
Descriptor: ANTIBODY, BETA-2-MICROGLOBULIN
Authors:Domanska, K, Srinivasan, V, Vanderhaegen, S, Pardon, E, Marquez, J.A, Bellotti, V, Wyns, L, Steyaert, J.
Deposit date:2010-03-07
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Atomic Structure of a Nanobody-Trapped Domain-Swapped Dimer of an Amyloidogenic {Beta}2-Microglobulin Variant.
Proc.Natl.Acad.Sci.USA, 108, 2011
7ZV5
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BU of 7zv5 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 4
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, inhibitor TRIP5
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
7ZV7
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BU of 7zv7 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 57
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, inhibitor 57
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
7ZV8
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BU of 7zv8 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, OCTANOIC ACID (CAPRYLIC ACID), ...
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.937 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
5JY0
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BU of 5jy0 by Molmil
Crystal structure of Porphyromonas endodontalis DPP11 in complex with substrate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Asp/Glu-specific dipeptidyl-peptidase, LEU-ASP-VAL
Authors:Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
6ST8
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BU of 6st8 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6ST9
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BU of 6st9 by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, D48R mutant
Descriptor: CHLORIDE ION, Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
6STA
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BU of 6sta by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, E46A D48A mutant
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
5JXP
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BU of 5jxp by Molmil
Crystal structure of Porphyromonas endodontalis DPP11 in alternate conformation
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CALCIUM ION, CHLORIDE ION
Authors:Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5JXK
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BU of 5jxk by Molmil
Crystal structure of Porphyromonas endodontalis DPP11
Descriptor: Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION
Authors:Bezerra, G.A, Cornaciu, I, Hoffmann, G, Djinovic-Carugo, K, Marquez, J.A.
Deposit date:2016-05-13
Release date:2017-06-14
Last modified:2017-06-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5LKU
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BU of 5lku by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with coenzyme A.
Descriptor: COENZYME A, Histone acetyltransferase p300,Histone acetyltransferase p300, ZINC ION
Authors:Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
Deposit date:2016-07-25
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
5LKX
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BU of 5lkx by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with propionyl-coenzyme A.
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ...
Authors:Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
Deposit date:2016-07-25
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
5LKT
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BU of 5lkt by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with butyryl-coenzyme A.
Descriptor: Butyryl Coenzyme A, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
Deposit date:2016-07-24
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
5LKZ
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BU of 5lkz by Molmil
Crystal structure of the p300 acetyltransferase catalytic core with crotonyl-coenzyme A.
Descriptor: CROTONYL COENZYME A, GLYCEROL, Histone acetyltransferase p300,Histone acetyltransferase p300, ...
Authors:Kaczmarska, Z, Ortega, E, Marquez, J.A, Panne, D.
Deposit date:2016-07-25
Release date:2016-11-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of p300 in complex with acyl-CoA variants.
Nat. Chem. Biol., 13, 2017
6STB
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BU of 6stb by Molmil
Crystal structure of the strawberry pathogenesis-related 10 (PR-10) Fra a 1.02 protein, Q64W mutant
Descriptor: Major strawberry allergen Fra a 1-2
Authors:Orozco-Navarrete, B, Kaczmarska, Z, Dupeux, F, Pott, D, Diaz Perales, A, Casanal, A, Marquez, J.A, Valpuesta, V, Merchante, C.
Deposit date:2019-09-10
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural Bases for the Allergenicity of Fra a 1.02 in Strawberry Fruits.
J.Agric.Food Chem., 68, 2020
4AXU
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BU of 4axu by Molmil
CRYSTAL STRUCTURE OF THAUMATIN FROM AN AUTO-HARVESTED CRYSTAL, control experiment
Descriptor: THAUMATIN-1
Authors:Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A.
Deposit date:2012-06-14
Release date:2012-10-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films
Acta Crystallogr.,Sect.D, 68, 2012
3ZVU
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BU of 3zvu by Molmil
Structure of the PYR1 His60Pro mutant in complex with the HAB1 phosphatase and Abscisic acid
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABSCISIC ACID RECEPTOR PYR1, MANGANESE (II) ION, ...
Authors:Betz, K, Dupeux, F, Santiago, J, Rodriguez, P.L, Marquez, J.A.
Deposit date:2011-07-27
Release date:2012-06-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Thermodynamic Switch Modulates Abscisic Acid Receptor Sensitivity.
Embo J., 30, 2011
4AXR
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BU of 4axr by Molmil
CRYSTAL STRUCTURE OF thaumatin FROM A AUTO-HARVESTED CRYSTAL
Descriptor: L(+)-TARTARIC ACID, THAUMATIN-1
Authors:Cipriani, F, Rower, M, Landret, C, Zander, U, Felisaz, F, Marquez, J.A.
Deposit date:2012-06-14
Release date:2012-10-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal Direct: A New Method for Automated Crystal Harvesting Based on Laser-Induced Photoablation of Thin Films
Acta Crystallogr.,Sect.D, 68, 2012

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