4USC
 
 | | Crystal structure of peroxidase from palm tree Chamaerops excelsa | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Bernardes, A, Santos, J.C, Textor, L.C, Cuadrado, N.H, Kostetsky, E.Y, Roig, M.G, Muniz, J.R.C, Shnyrov, V.L, Polikarpov, I. | | Deposit date: | 2014-07-07 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure Analysis of Peroxidase from the Palm Tree Chamaerops Excelsa.
Biochimie, 111, 2015
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4BCR
 | | Structure of PPARalpha in complex with WY14643 | | Descriptor: | 1,2-ETHANEDIOL, 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA | | Authors: | Bernardes, A, Muniz, J.R.C, Polikarpov, I. | | Deposit date: | 2012-10-02 | | Release date: | 2013-05-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.497 Å) | | Cite: | Molecular Mechanism of Peroxisome Proliferator-Activated Receptor Alpha Activation by Wy14643: A New Mode of Ligand Recognition and Receptor Stabilization
J.Mol.Biol., 425, 2013
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1PMI
 | | Candida Albicans Phosphomannose Isomerase | | Descriptor: | PHOSPHOMANNOSE ISOMERASE, ZINC ION | | Authors: | Cleasby, A, Skarzynski, T, Wonacott, A, Davies, G.J, Hubbard, R.E, Proudfoot, A.E.I, Wells, T.N.C, Payton, M.A, Bernard, A.R. | | Deposit date: | 1996-04-03 | | Release date: | 1997-03-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The x-ray crystal structure of phosphomannose isomerase from Candida albicans at 1.7 angstrom resolution.
Nat.Struct.Biol., 3, 1996
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2KQF
 | | Solution structure of MAST205-PDZ complexed with the C-terminus of a rabies virus G protein | | Descriptor: | C-terminal motif from Glycoprotein, Microtubule-associated serine/threonine-protein kinase 2 | | Authors: | Terrien, E, Wolff, N, Cordier, F, Simenel, C, Bernard, A, Lafon, M, Delepierre, M. | | Deposit date: | 2009-11-04 | | Release date: | 2010-11-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | 1H, 13C and 15N resonance assignments of the PDZ of Microtubule-associated serine/threonine kinase 205 (MAST205) in complex with the C-Terminal motif from the rabies virus glycoprotein
To be Published
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3SZ1
 | | Human PPAR gamma ligand binding domain in complex with luteolin and myristic acid | | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MYRISTIC ACID, Peroxisome proliferator-activated receptor gamma, ... | | Authors: | Puhl, A.C, Bernardes, A, Polikarpov, I. | | Deposit date: | 2011-07-18 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mode of peroxisome proliferator-activated receptor gamma activation by luteolin.
Mol.Pharmacol., 81, 2012
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6XOF
 | | Crystal structure of SCLam, a non-specific endo-beta-1,3(4)-glucanase from family GH16 | | Descriptor: | CALCIUM ION, GH16 family protein, GLYCEROL | | Authors: | Liberato, M.V, Bernardes, A, Polikarpov, I, Squina, F. | | Deposit date: | 2020-07-07 | | Release date: | 2021-02-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 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
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4CI4
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4CI5
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4UZS
 | | 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
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4UCF
 | | 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
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6DZD
 | | Crystal structure of Bacillus licheniformis hypothetical protein YfiH | | Descriptor: | CHLORIDE ION, POTASSIUM ION, SODIUM ION, ... | | Authors: | Almeida, L.R, Grejo, M.P, Mulinari, E.J, Santos, J.C, Camargo, S, Bernardes, A, Muniz, J.R.C. | | Deposit date: | 2018-07-03 | | Release date: | 2019-09-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Crystal structure of Bacillus licheniformis hypothetical protein YfiH
To Be Published
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4WX4
 | | Crystal structure of adenovirus 8 protease in complex with a nitrile inhibitor | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCINE, N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide, ... | | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | | Deposit date: | 2014-11-13 | | Release date: | 2015-01-14 | | Last modified: | 2015-01-28 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
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4WX7
 | | Crystal structure of adenovirus 8 protease with a nitrile inhibitor | | Descriptor: | 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease | | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | | Deposit date: | 2014-11-13 | | Release date: | 2015-01-14 | | Last modified: | 2015-01-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
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4WX6
 | | Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor | | Descriptor: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease | | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | | Deposit date: | 2014-11-13 | | Release date: | 2015-01-14 | | Last modified: | 2015-01-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
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6R2V
 | | Arabidopsis NF-Y/CCAAT-box complex | | Descriptor: | FT (-5kb) CCAAT-box 3', FT (-5kb) CCAAT-box 5', NF-YB2, ... | | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | | Deposit date: | 2019-03-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants.
Plant J., 105, 2021
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6R0N
 | | Histone fold domain of AtNF-YB2/NF-YC3 in I2 | | Descriptor: | GLYCEROL, NF-YB2, NF-YC3 | | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Bernardini, A, Fornara, F, Nardini, M, Mantovani, R. | | Deposit date: | 2019-03-13 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants.
Plant J., 105, 2021
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2XR6
 | | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo trimannoside mimic. | | Descriptor: | 2-AZIDOETHANOL, CALCIUM ION, CD209 ANTIGEN, ... | | Authors: | Thepaut, M, Suitkeviciute, I, Sattin, S, Reina, J, Bernardi, A, Fieschi, F. | | Deposit date: | 2010-09-10 | | Release date: | 2011-10-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Unique Dc-Sign Clustering Activity of a Small Glycomimetic: A Lesson for Ligand Design.
Acs Chem.Biol., 9, 2014
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6R0M
 | | Histone fold domain of AtNF-YB2/NF-YC3 in P212121 | | Descriptor: | NF-YB2, NF-YC3 | | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | | Deposit date: | 2019-03-13 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants.
Plant J., 105, 2021
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5G6U
 | | Crystal structure of langerin carbohydrate recognition domain with GlcNS6S | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Porkolab, V, Chabrol, E, Varga, N, Ordanini, S, Sutkeviciute, I, Thepaut, M, Bernardi, A, Fieschi, F. | | Deposit date: | 2016-07-21 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.844 Å) | | Cite: | Rational-Differential Design of Highly Specific Glycomimetic Ligands: Targeting DC-SIGN and Excluding Langerin Recognition.
ACS Chem. Biol., 13, 2018
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3G8I
 | | Aleglitazar, a new, potent, and balanced PPAR alpha/gamma agonist for the treatment of type II diabetes | | Descriptor: | (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha | | Authors: | Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puentener, K, Raab, S, Ruf, A, Schlatter, D, Gsell, B, Stihle, M, Mohr, P. | | Deposit date: | 2009-02-12 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
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3G9E
 | | Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes | | Descriptor: | (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma | | Authors: | Ruf, A, Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puenterner, K, Raab, S, Schlatter, D, Gsell, B, Stihle, M, Mohr, P. | | Deposit date: | 2009-02-13 | | Release date: | 2009-06-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
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6GHV
 | | Structure of a DC-SIGN CRD in complex with high affinity glycomimetic. | | Descriptor: | CALCIUM ION, CD209 antigen, CHLORIDE ION, ... | | Authors: | Thepaut, M, Achilli, S, Medve, L, Bernardi, A, Fieschi, F. | | Deposit date: | 2018-05-09 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Enhancing Potency and Selectivity of a DC-SIGN Glycomimetic Ligand by Fragment-Based Design: Structural Basis.
Chemistry, 25, 2019
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2XR5
 | | Crystal structure of the complex of the carbohydrate recognition domain of human DC-SIGN with pseudo dimannoside mimic. | | Descriptor: | CALCIUM ION, CD209 ANTIGEN, CHLORIDE ION, ... | | Authors: | Thepaut, M, Suitkeviciute, I, Sattin, S, Reina, J, Bernardi, A, Fieschi, F. | | Deposit date: | 2010-09-10 | | Release date: | 2011-10-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure of a Glycomimetic Ligand in the Carbohydrate Recognition Domain of C-Type Lectin Dc-Sign. Structural Requirements for Selectivity and Ligand Design.
J.Am.Chem.Soc., 135, 2013
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4PIS
 | | Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor | | Descriptor: | N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide, PVI, Protease | | Authors: | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, K, Erbel, P, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | | Deposit date: | 2014-05-09 | | Release date: | 2014-09-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
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4PIE
 | | Crystal structure of human adenovirus 2 protease a substrate based nitrile inhibitor | | Descriptor: | ACETATE ION, N-{(2S)-2-(3-chlorophenyl)-2-[(methylsulfonyl)amino]acetyl}-L-phenylalanyl-N-[(2Z)-2-iminoethyl]glycinamide, Pre-protein VI, ... | | Authors: | Mac Sweeney, A, Grosche, P, Ellis, D, Combrink, C, Erbel, C, Hughes, N, Sirockin, F, Melkko, S, Bernardi, A, Ramage, P, Jarousse, N, Altmann, E. | | Deposit date: | 2014-05-08 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and structure-based optimization of adenain inhibitors.
Acs Med.Chem.Lett., 5, 2014
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