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3V4O
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BU of 3v4o by Molmil
Human MALT1 (caspase domain) in complex with an irreversible peptidic inhibitor
Descriptor: MALT1 Inhibitor, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
Authors:Renatus, M, Wiesmann, C.
Deposit date:2011-12-15
Release date:2012-03-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Determinants of MALT1 Protease Activity.
J.Mol.Biol., 419, 2012
5LZH
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BU of 5lzh by Molmil
Cholera toxin classical B-pentamer in complex with inhibitor PC262
Descriptor: (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Heggelund, J.E, Martinsen, T, Krengel, U.
Deposit date:2016-09-29
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
3V4L
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BU of 3v4l by Molmil
Mouse MALT1(caspase-IG3 domains) in complex with a irreversible peptidic inhibitor
Descriptor: MALT1 Inhibitor, Mucosa-associated lymphoid tissue lymphoma translocation protein 1 homolog
Authors:Renatus, M, Wiesmann, C.
Deposit date:2011-12-15
Release date:2012-03-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural Determinants of MALT1 Protease Activity.
J.Mol.Biol., 419, 2012
3V55
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BU of 3v55 by Molmil
Human MALT1 (334-719) in its ligand free form
Descriptor: Mucosa-associated lymphoid tissue lymphoma translocation protein 1
Authors:Renatus, M, Wiesmann, C.
Deposit date:2011-12-16
Release date:2012-03-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structural Determinants of MALT1 Protease Activity.
J.Mol.Biol., 419, 2012
6XQH
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BU of 6xqh by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with cellotriose, presenting a 1,3-beta-D-cellobiosyl-glucose and a cellobiose at active site
Descriptor: CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
Authors:Liberato, M.V, Squina, F.
Deposit date:2020-07-09
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XQM
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BU of 6xqm by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with laminarihexaose, presenting a laminaribiose and a glucose at active site
Descriptor: CALCIUM ION, GH16 family protein, PHOSPHATE ION, ...
Authors:Liberato, M.V, Squina, F.
Deposit date:2020-07-09
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XQG
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BU of 6xqg by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with 1,3-beta-D-cellobiosyl-cellobiose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site
Descriptor: CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
Authors:Liberato, M.V, Squina, F.
Deposit date:2020-07-09
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XQL
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BU of 6xql by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with cellohexaose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site
Descriptor: CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
Authors:Liberato, M.V, Squina, F.
Deposit date:2020-07-09
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
6XQF
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BU of 6xqf by Molmil
Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with 1,3-beta-D-cellotriosyl-glucose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site
Descriptor: CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
Authors:Liberato, M.V, Squina, F.
Deposit date:2020-07-09
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds.
J.Biol.Chem., 296, 2021
4XTA
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BU of 4xta by Molmil
MECHANISMS OF PPARgamma ACTIVATION BY NON-STEROIDAL ANTI-INFLAMMATORY DRUGS
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Puhl, A.C, Webb, P, Polikarpov, I.
Deposit date:2015-01-23
Release date:2015-11-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
4XUH
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BU of 4xuh by Molmil
PPARgamma ligand binding domain in complex with sulindac sulfide
Descriptor: 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Puhl, A.C, Polikaporv, I, Webb, P.
Deposit date:2015-01-25
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
6TIG
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BU of 6tig by Molmil
Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) antigen
Descriptor: Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose
Authors:Varrot, A, Bermeo, R.
Deposit date:2019-11-22
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information.
Molecules, 25, 2020
8B1N
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BU of 8b1n by Molmil
Crystal structure of TrmD-Tm1570 from Calditerrivibrio nitroreducens in complex with S-adenosyl-L-methionine
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Kluza, A, Lewandowska, I, Augustyniak, R, Sulkowska, J.
Deposit date:2022-09-10
Release date:2022-09-28
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens.
Front Mol Biosci, 10, 2023
6TID
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BU of 6tid by Molmil
Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with H-type 1 antigen
Descriptor: Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Varrot, A, Bermeo, R.
Deposit date:2019-11-22
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.614 Å)
Cite:BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information.
Molecules, 25, 2020
5LZI
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BU of 5lzi by Molmil
Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146
Descriptor: (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
Authors:Heggelund, J.E, Mackenzie, A, Krengel, U.
Deposit date:2016-09-29
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
4XUM
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BU of 4xum by Molmil
PPARgamma ligand binding domain in complex with indomethacin
Descriptor: INDOMETHACIN, Peroxisome proliferator-activated receptor gamma
Authors:Puhl, A.C, Webb, P, Polikarpov, I.
Deposit date:2015-01-26
Release date:2015-11-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
5LZG
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BU of 5lzg by Molmil
Cholera toxin El Tor B-pentamer in complex with inhibitor PC262
Descriptor: (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Heggelund, J.E, Martinsen, T, Krengel, U.
Deposit date:2016-09-29
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
4UZS
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BU of 4uzs by Molmil
Crystal structure of Bifidobacterium bifidum beta-galactosidase
Descriptor: BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Godoy, A.S, Murakami, M.T, Camilo, C.M, Bernardes, A, Polikarpov, I.
Deposit date:2014-09-08
Release date:2015-09-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal Structure of Beta1-6-Galactosidase from Bifidobacterium Bifidum S17: Trimeric Architecture, Molecular Determinants of the Enzymatic Activity and its Inhibition by Alpah-Galactose.
FEBS J., 283, 2016
5LZJ
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BU of 5lzj by Molmil
Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237
Descriptor: (~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, Cholera enterotoxin subunit B, DI(HYDROXYETHYL)ETHER, ...
Authors:Heggelund, J.E, Krengel, U.
Deposit date:2016-09-29
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
2RC5
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BU of 2rc5 by Molmil
Refined structure of FNR from Leptospira interrogans
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase, SULFATE ION, ...
Authors:Nascimento, A.S, Catalano-Dupuy, D.L, Polikarpov, I, Ceccarelli, E.A.
Deposit date:2007-09-19
Release date:2008-03-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.431 Å)
Cite:Crystal structures of Leptospira interrogans FAD-containing ferredoxin-NADP+ reductase and its complex with NADP+.
Bmc Struct.Biol., 7, 2007
2RC6
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BU of 2rc6 by Molmil
Refined structure of FNR from Leptospira interrogans bound to NADP+
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin-NADP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Nascimento, A.S, Catalano-Dupuy, D.L, Ceccarelli, E.A, Polikarpov, I.
Deposit date:2007-09-19
Release date:2008-03-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structures of Leptospira interrogans FAD-containing ferredoxin-NADP+ reductase and its complex with NADP+.
Bmc Struct.Biol., 7, 2007
4UCF
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BU of 4ucf by Molmil
Crystal structure of Bifidobacterium bifidum beta-galactosidase in complex with alpha-galactose
Descriptor: BETA-GALACTOSIDASE, DI(HYDROXYETHYL)ETHER, N-PROPANOL, ...
Authors:Godoy, A.S, Murakami, M.T, Camilo, C.M, Bernardes, A, Polikarpov, I.
Deposit date:2014-12-03
Release date:2016-01-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal Structure of Beta1-6-Galactosidase from Bifidobacterium Bifidum S17: Trimeric Architecture, Molecular Determinants of the Enzymatic Activity and its Inhibition by Alpha-Galactose.
FEBS J., 283, 2016
3TKM
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BU of 3tkm by Molmil
Crystal structure PPAR delta binding GW0742
Descriptor: GLYCEROL, Peroxisome proliferator-activated receptor delta, {4-[({2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl}methyl)sulfanyl]-2-methylphenoxy}acetic acid
Authors:Trivella, D.B.B, Batista, F.H, Polikarpov, I.
Deposit date:2011-08-27
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:Structural Insights into Human Peroxisome Proliferator Activated Receptor Delta (PPAR-Delta) Selective Ligand Binding.
Plos One, 7, 2012
4OJ4
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BU of 4oj4 by Molmil
Crystal structure of V290M PPARgamma mutant in complex with diclofenac
Descriptor: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, CALCIUM ION, Peroxisome proliferator-activated receptor gamma
Authors:Puhl, A.C, Webb, P, Polikarpov, I.
Deposit date:2014-01-20
Release date:2015-02-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a PPAR ligand-resistance syndrome mutant
To be Published
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