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4ZEB
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BU of 4zeb by Molmil
PBP AccA from A. tumefaciens C58 in complex with agrocinopine A
Descriptor: 1,2-ETHANEDIOL, ABC transporter, substrate binding protein (Agrocinopines A and B), ...
Authors:El Sahili, A, Morera, S.
Deposit date:2015-04-20
Release date:2015-08-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
4ZEK
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BU of 4zek by Molmil
PBP AccA from A. tumefaciens C58 in complex with L-arabinose-2-isopropylphosphate
Descriptor: 1,2-ETHANEDIOL, 2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:El Sahili, A, Morera, S.
Deposit date:2015-04-20
Release date:2015-08-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens.
Plos Pathog., 11, 2015
3N43
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BU of 3n43 by Molmil
Crystal structures of the mature envelope glycoprotein complex (trypsin cleavage) of Chikungunya virus.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
Deposit date:2010-05-21
Release date:2010-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
3N44
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BU of 3n44 by Molmil
Crystal structure of the mature envelope glycoprotein complex (trypsin cleavage; Osmium soak) of Chikungunya virus.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, E1 envelope glycoprotein, ...
Authors:Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
Deposit date:2010-05-21
Release date:2010-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
3N41
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BU of 3n41 by Molmil
Crystal structure of the mature envelope glycoprotein complex (spontaneous cleavage) of Chikungunya virus.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, E1 envelope glycoprotein, ...
Authors:Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
Deposit date:2010-05-21
Release date:2010-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
3N40
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BU of 3n40 by Molmil
Crystal structure of the immature envelope glycoprotein complex of Chikungunya virus.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
Deposit date:2010-05-21
Release date:2010-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
3N42
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BU of 3n42 by Molmil
Crystal structures of the mature envelope glycoprotein complex (furin cleavage) of Chikungunya virus.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, E1 envelope glycoprotein, ...
Authors:Voss, J, Vaney, M.C, Duquerroy, S, Rey, F.A.
Deposit date:2010-05-21
Release date:2010-12-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.
Nature, 468, 2010
8P5L
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BU of 8p5l by Molmil
Kinase domain of mutant human ULK1 in complex with compound MRT67307
Descriptor: MAGNESIUM ION, N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase ULK1
Authors:Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P.
Deposit date:2023-05-24
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.836 Å)
Cite:Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
8P5G
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BU of 8p5g by Molmil
Kinase domain of wild type human ULK1 in complex with compound CCT241533
Descriptor: 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ...
Authors:Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P.
Deposit date:2023-05-24
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.019 Å)
Cite:Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
8P5H
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BU of 8p5h by Molmil
Kinase domain of mutant human ULK1 in complex with compound CCT241533
Descriptor: 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ...
Authors:Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P.
Deposit date:2023-05-24
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.941 Å)
Cite:Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
8P5J
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BU of 8p5j by Molmil
Kinase domain of mutant human ULK1 in complex with compound WZ4003
Descriptor: MAGNESIUM ION, SODIUM ION, Serine/threonine-protein kinase ULK1, ...
Authors:Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P.
Deposit date:2023-05-24
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.164 Å)
Cite:Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
8P5I
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BU of 8p5i by Molmil
Kinase domain of mutant human ULK1 in complex with compound XMD-17-51
Descriptor: 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one, GLYCEROL, MAGNESIUM ION, ...
Authors:Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P.
Deposit date:2023-05-24
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.829 Å)
Cite:Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
5L9P
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BU of 5l9p by Molmil
Crystal structure of the PBP MotA from A. tumefaciens B6
Descriptor: SULFATE ION, periplasmic binding protein
Authors:Morera, S, Marty, L.
Deposit date:2016-06-10
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
5L9L
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BU of 5l9l by Molmil
Crystal structure of the PBP MotA from A. tumefaciens B6 in complex with glucopine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glucopine, ...
Authors:Marty, L, Morera, S.
Deposit date:2016-06-10
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
5L9G
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BU of 5l9g by Molmil
Crystal Structure of the PBP MotA in complex with mannopine from A. tumefaciens B6
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, mannopine, ...
Authors:Marty, L, Morera, S.
Deposit date:2016-06-10
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
5L9I
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BU of 5l9i by Molmil
Crystal structure of the periplasmic binding protein MotA in complex with DFG from A. tumefaciens B6
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Marty, L, Morera, S.
Deposit date:2016-06-10
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
6XPB
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BU of 6xpb by Molmil
Structure of human GGT1 in complex with 2-amino-4-(((1-((carboxymethyl)amino)-1-oxobutan-2-yl)oxy)(phenoxy)phosphoryl)butanoic acid (ACPB) molecule
Descriptor: 2,2-diamino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Terzyan, S.S, Hanigan, M.H.
Deposit date:2020-07-08
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structures of glutathione- and inhibitor-bound human GGT1: critical interactions within the cysteinylglycine binding site.
J.Biol.Chem., 296, 2020
6XPC
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BU of 6xpc by Molmil
Structure of human GGT1 in complex with full GSH molecule
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTATHIONE, ...
Authors:Terzyan, S.S, Hanigan, M.
Deposit date:2020-07-08
Release date:2020-11-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structures of glutathione- and inhibitor-bound human GGT1: critical interactions within the cysteinylglycine binding site.
J.Biol.Chem., 296, 2020
3H3K
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BU of 3h3k by Molmil
Structure of A. acidocaldarius cellulase CelA in complex with cellotetraose
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cellulase, ...
Authors:Morera, S, Eckert, K.
Deposit date:2009-04-16
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of A. acidocaldarius endoglucanase Cel9A in complex with Cello-oligosaccharides: strong -1 and -2 subsites mimic cellobiohydrolase activity
J.Mol.Biol., 394, 2009
5UKI
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BU of 5uki by Molmil
Mn2+ and Zn2+ requirements for the lariat debranching enzyme, Dbr1
Descriptor: MANGANESE (II) ION, RNA lariat debranching enzyme, putative, ...
Authors:Macbeth, M.R, Ransey, L.
Deposit date:2017-01-22
Release date:2018-02-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Entamoeba histolytica RNA lariat debranching enzyme EhDbr1 reveals a catalytic Zn2+/Mn2+heterobinucleation.
FEBS Lett., 591, 2017
4QYZ
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BU of 4qyz by Molmil
Crystal structure of a CRISPR RNA-guided surveillance complex, Cascade, bound to a ssDNA target
Descriptor: CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ...
Authors:Mulepati, S, Bailey, S.
Deposit date:2014-07-26
Release date:2014-09-03
Last modified:2014-10-01
Method:X-RAY DIFFRACTION (3.0303 Å)
Cite:Structural biology. Crystal structure of a CRISPR RNA-guided surveillance complex bound to a ssDNA target.
Science, 345, 2014
5V4Q
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BU of 5v4q by Molmil
Crystal Structure of human GGT1 in complex with DON
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5,5-dihydroxy-L-norleucine, CHLORIDE ION, ...
Authors:Terzyan, S, Hanigan, M.
Deposit date:2017-03-10
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of 6-diazo-5-oxo-norleucine-bound human gamma-glutamyl transpeptidase 1, a novel mechanism of inactivation.
Protein Sci., 26, 2017
7ALI
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BU of 7ali by Molmil
Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup P2(1)).
Descriptor: 3C-like proteinase
Authors:Costanzi, E, Demitri, N, Giabbai, B, Heroux, A, Storici, P.
Deposit date:2020-10-06
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and Biochemical Analysis of the Dual Inhibition of MG-132 against SARS-CoV-2 Main Protease (Mpro/3CLpro) and Human Cathepsin-L.
Int J Mol Sci, 22, 2021
1ZEQ
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BU of 1zeq by Molmil
1.5 A Structure of apo-CusF residues 6-88 from Escherichia coli
Descriptor: Cation efflux system protein cusF
Authors:Loftin, I.R, Franke, S, Roberts, S.A, Weichsel, A, Heroux, A, Montfort, W.R, Rensing, C, McEvoy, M.M.
Deposit date:2005-04-19
Release date:2005-08-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Novel Copper-Binding Fold for the Periplasmic Copper Resistance Protein CusF.
Biochemistry, 44, 2005
4EVO
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BU of 4evo by Molmil
Crystal structure of Staphylococcal nuclease variant NVIAGA/E122G at cryogenic temperature
Descriptor: PHOSPHATE ION, Thermonuclease
Authors:Doctrow, B.M, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A.
Deposit date:2012-04-26
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Local flexibility as a determinant of pKa values of surface ionizable groups in proteins
To be Published

223532

数据于2024-08-07公开中

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