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5FLW
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BU of 5flw by Molmil
Crystal structure of putative exo-beta-1,3-galactanase from Bifidobacterium bifidum s17
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EXO-BETA-1,3-GALACTANASE
著者Godoy, A.S, de Lima, M.Z.T, Ramia, M.P, Camilo, C.M, Muniz, J.R.C, Polikarpov, I.
登録日2015-10-28
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Crystal structure of a putative exo-beta-1,3-galactanase from Bifidobacterium bifidum S17.
Acta Crystallogr F Struct Biol Commun, 72, 2016
7PUG
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BU of 7pug by Molmil
GH115 alpha-1,2-glucuronidase in complex with xylopentaose
分子名称: CALCIUM ION, CHLORIDE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ...
著者Wilkens, C, Morth, J.P, Polikarpov, I.
登録日2021-09-29
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献A GH115 alpha-glucuronidase structure reveals dimerization-mediated substrate binding and a proton wire potentially important for catalysis.
Acta Crystallogr D Struct Biol, 78, 2022
7PXQ
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BU of 7pxq by Molmil
GH115 alpha-1,2-glucuronidase D303A
分子名称: CALCIUM ION, xylan alpha-1,2-glucuronidase
著者Wilkens, C, Morth, J.P, Polikarpov, I.
登録日2021-10-08
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A GH115 alpha-glucuronidase structure reveals dimerization-mediated substrate binding and a proton wire potentially important for catalysis.
Acta Crystallogr D Struct Biol, 78, 2022
6WGD
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BU of 6wgd by Molmil
Crystal structure of a 6-phospho-beta-glucosidase from Bacillus licheniformis
分子名称: 1,2-ETHANEDIOL, 6-phospho-beta-glucosidase
著者Liberato, M.V, Popov, A, Polikarpov, I.
登録日2020-04-05
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray Structure, Bioinformatics Analysis, and Substrate Specificity of a 6-Phospho-beta-glucosidase Glycoside Hydrolase 1 Enzyme from Bacillus licheniformis .
J.Chem.Inf.Model., 60, 2020
6WQW
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BU of 6wqw by Molmil
Thermobacillus composti GH10 xylanase
分子名称: Beta-xylanase, beta-D-xylopyranose
著者Briganti, L, Polikarpov, I.
登録日2020-04-29
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Transformation of xylan into value-added biocommodities using Thermobacillus composti GH10 xylanase.
Carbohydr Polym, 247, 2020
6WPX
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BU of 6wpx by Molmil
Crystal structure of Bacillus licheniformis lipase BlEst2 in propetide form
分子名称: BlEst2, IODIDE ION
著者Nakamura, A.M, Godoy, A.S, Kadowaki, M.A.S, Polikarpov, I.
登録日2020-04-28
公開日2021-06-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The first structure of Bacillus licheniformis lipase BlEst2 in its propeptide and mature form revealing molecular details of inhibition by its C-terminal domains
To Be Published
6WPY
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BU of 6wpy by Molmil
Crystal structure of Bacillus licheniformis lipase BlEst2 in mature form
分子名称: BlEst2
著者Nakamura, A.M, Godoy, A.S, Kadowaki, M.A.S, Polikarpov, I.
登録日2020-04-28
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献The first structure of Bacillus licheniformis lipase BlEst2 in its propeptide and mature form revealing molecular details of inhibition by its C-terminal domains
To Be Published
3SZ1
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BU of 3sz1 by Molmil
Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid
分子名称: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MYRISTIC ACID, Peroxisome proliferator-activated receptor gamma, ...
著者Puhl, A.C, Bernardes, A, Polikarpov, I.
登録日2011-07-18
公開日2012-03-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mode of peroxisome proliferator-activated receptor gamma activation by luteolin.
Mol.Pharmacol., 81, 2012
3TKM
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BU of 3tkm by Molmil
Crystal structure PPAR delta binding GW0742
分子名称: 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
著者Trivella, D.B.B, Batista, F.H, Polikarpov, I.
登録日2011-08-27
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Structural Insights into Human Peroxisome Proliferator Activated Receptor Delta (PPAR-Delta) Selective Ligand Binding.
Plos One, 7, 2012
5TOA
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BU of 5toa by Molmil
Crystal Structure of ER beta bound to Estradiol
分子名称: ESTRADIOL, Estrogen receptor beta
著者Textor, L, Nascimento, A.S, Polikarpov, I.
登録日2016-10-17
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An alternative conformation of ER beta bound to estradiol reveals H12 in a stable antagonist position.
Sci Rep, 7, 2017
5VQJ
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BU of 5vqj by Molmil
Discovery of a first GH11 exo-1,4-beta-xylanase from a diverse microbial sugar cane bagasse composting community
分子名称: exo-beta-1,4-xylanase
著者Mello, B.L, Polikarpov, I.
登録日2017-05-09
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Targeted metatranscriptomics of compost-derived consortia reveals a GH11 exerting an unusual exo-1,4-beta-xylanase activity.
Biotechnol Biofuels, 10, 2017
4H7M
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BU of 4h7m by Molmil
The X-ray Crystal Structure of the Trichoderma harzianum Endoglucanase 3 from family GH12
分子名称: Endo-1,4-beta-glucanase
著者Liberato, M.V, Polikarpov, I.
登録日2012-09-20
公開日2013-04-03
実験手法X-RAY DIFFRACTION (2.068 Å)
主引用文献X-ray Structure and Molecular Dynamics Simulations of Endoglucanase 3 from Trichoderma harzianum: Structural Organization and Substrate Recognition by Endoglucanases That Lack Cellulose Binding Module.
Plos One, 8, 2013
2P3D
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BU of 2p3d by Molmil
Crystal Structure of the multi-drug resistant mutant subtype F HIV protease complexed with TL-3 inhibitor
分子名称: Pol protein, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
著者Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I.
登録日2007-03-08
公開日2007-04-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
2P3A
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BU of 2p3a by Molmil
Crystal Structure of the multi-drug resistant mutant subtype B HIV protease complexed with TL-3 inhibitor
分子名称: benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease
著者Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I.
登録日2007-03-08
公開日2007-04-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
2P3B
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BU of 2p3b by Molmil
Crystal Structure of the subtype B wild type HIV protease complexed with TL-3 inhibitor
分子名称: benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease
著者Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I.
登録日2007-03-08
公開日2007-04-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
2P3C
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BU of 2p3c by Molmil
Crystal Structure of the subtype F wild type HIV protease complexed with TL-3 inhibitor
分子名称: ACETIC ACID, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease
著者Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I.
登録日2007-03-08
公開日2007-04-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
1XC6
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BU of 1xc6 by Molmil
Native Structure Of Beta-Galactosidase from Penicillium sp. in complex with Galactose
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rojas, A.L, Nagem, R.A.P, Neustroev, K.N, Arand, M, Adamska, M, Eneyskaya, E.V, Kulminskaya, A.A, Garratt, R.C, Golubev, A.M, Polikarpov, I.
登録日2004-09-01
公開日2004-11-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of beta-Galactosidase from Penicillium sp. and its Complex with Galactose
J.Mol.Biol., 343, 2004
1Y9G
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BU of 1y9g by Molmil
Crystal structure of exo-inulinase from Aspergillus awamori complexed with fructose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-fructofuranose, ...
著者Nagem, R.A.P, Rojas, A.L, Golubev, A.M, Korneeva, O.S, Eneyskaya, E.V, Kulminskaya, A.A, Neustroev, K.N, Polikarpov, I.
登録日2004-12-15
公開日2004-12-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of exo-inulinase from Aspergillus awamori: the enzyme fold and structural determinants of substrate recognition
J.Mol.Biol., 344, 2004
1Y4W
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Crystal structure of exo-inulinase from Aspergillus awamori in spacegroup P21
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Nagem, R.A.P, Rojas, A.L, Golubev, A.M, Korneeva, O.S, Eneyskaya, E.V, Kulminskaya, A.A, Neustroev, K.N, Polikarpov, I.
登録日2004-12-01
公開日2004-12-14
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of exo-inulinase from Aspergillus awamori: the enzyme fold and structural determinants of substrate recognition
J.Mol.Biol., 344, 2004
1Y9M
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BU of 1y9m by Molmil
Crystal structure of exo-inulinase from Aspergillus awamori in spacegroup P212121
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
著者Nagem, R.A.P, Rojas, A.L, Golubev, A.M, Korneeva, O.S, Eneyskaya, E.V, Kulminskaya, A.A, Neustroev, K.N, Polikarpov, I.
登録日2004-12-16
公開日2004-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of exo-inulinase from Aspergillus awamori: the enzyme fold and structural determinants of substrate recognition
J.Mol.Biol., 344, 2004
3NEE
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BU of 3nee by Molmil
Wild type human transthyretin (TTR) complexed with GC-1 (TTRwt:GC-1)
分子名称: GLYCEROL, Transthyretin, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid
著者Trivella, D.B.B, Polikarpov, I.
登録日2010-06-08
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The binding of synthetic triiodo l-thyronine analogs to human transthyretin: molecular basis of cooperative and non-cooperative ligand recognition.
J.Struct.Biol., 173, 2011
4XUM
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BU of 4xum by Molmil
PPARgamma ligand binding domain in complex with indomethacin
分子名称: INDOMETHACIN, Peroxisome proliferator-activated receptor gamma
著者Puhl, A.C, Webb, P, Polikarpov, I.
登録日2015-01-26
公開日2015-11-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanisms of peroxisome proliferator activated receptor gamma regulation by non-steroidal anti-inflammatory drugs.
Nucl Recept Signal, 13, 2015
4YZT
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BU of 4yzt by Molmil
Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis complexed with cellotetraose
分子名称: 1,2-ETHANEDIOL, Cellulose hydrolase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Liberato, M.V, Popov, A, Polikarpov, I.
登録日2015-03-25
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.665 Å)
主引用文献Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016
4YZP
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BU of 4yzp by Molmil
Crystal structure of a tri-modular GH5 (subfamily 4) endo-beta-1, 4-glucanase from Bacillus licheniformis
分子名称: Cellulose hydrolase
著者Liberato, M.V, Popov, A, Polikarpov, I.
登録日2015-03-25
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular characterization of a family 5 glycoside hydrolase suggests an induced-fit enzymatic mechanism.
Sci Rep, 6, 2016
2Y9N
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Cellobiohydrolase I Cel7A from Trichoderma harzianum at 2.9 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, EXOGLUCANASE 1, TRIETHYLENE GLYCOL
著者Textor, L.C, Colussi, F, Serpa, V, Squina, F, Pereira Jr, N, Polikarpov, I.
登録日2011-02-15
公開日2012-02-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Cellobiohydrolase I from Trichoderma Harzianum: Structural and Enzymatic Characterization
To be Published

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