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2O72
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BU of 2o72 by Molmil
Crystal Structure Analysis of human E-cadherin (1-213)
Descriptor: CALCIUM ION, Epithelial-cadherin
Authors:Parisini, E, Wang, J.-H.
Deposit date:2006-12-09
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Human E-cadherin Domains 1 and 2, and Comparison with other Cadherins in the Context of Adhesion Mechanism
J.Mol.Biol., 373, 2007
1CKU
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BU of 1cku by Molmil
AB INITIO SOLUTION AND REFINEMENT OF TWO HIGH POTENTIAL IRON PROTEIN STRUCTURES AT ATOMIC RESOLUTION
Descriptor: IRON/SULFUR CLUSTER, PROTEIN (HIPIP)
Authors:Parisini, E, Capozzi, F, Lubini, P, Lamzin, V, Luchinat, C, Sheldrick, G.M.
Deposit date:1999-04-24
Release date:1999-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Ab initio solution and refinement of two high-potential iron protein structures at atomic resolution.
Acta Crystallogr.,Sect.D, 55, 1999
8QIC
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BU of 8qic by Molmil
Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors
Descriptor: 2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid, GLYCEROL, Threonine--tRNA ligase, ...
Authors:Rodriguez, J.A, Parisini, E.
Deposit date:2023-09-13
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors.
Plos One, 19, 2024
4WCT
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BU of 4wct by Molmil
The crystal structure of Fructosyl amine: oxygen oxidoreductase (Amadoriase I) from Aspergillus fumigatus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine:oxygen oxidoreductase
Authors:Rigoldi, F, Gautieri, A, Dalle Vedove, A, Lucarelli, A.P, Vesentini, S, Parisini, E.
Deposit date:2014-09-05
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structure of the deglycating enzyme Amadoriase I in its free form and substrate-bound complex.
Proteins, 84, 2016
8OU8
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BU of 8ou8 by Molmil
Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Threonine--tRNA ligase, ...
Authors:Rodriguez Buitrago, J.A, Parisini, E, Aigars, J.
Deposit date:2023-04-22
Release date:2023-07-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor.
Org.Biomol.Chem., 21, 2023
4XWZ
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BU of 4xwz by Molmil
The crystal structure of Fructosyl amine: oxygen oxidoreductase (Amadoriase I) from Aspergillus fumigatus in complex with the substrate fructosyl lysine
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine:oxygen oxidoreductase, LYSINE, ...
Authors:Rigoldi, F, Gautieri, A, Dalle Vedove, A, Lucarelli, A.P, Vesentini, S, Parisini, E.
Deposit date:2015-01-29
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the deglycating enzyme Amadoriase I in its free form and substrate-bound complex.
Proteins, 84, 2016
7AY6
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BU of 7ay6 by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b
Descriptor: 1,2-ETHANEDIOL, 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, MAGNESIUM ION, ...
Authors:Torretta, A, Abbate, S, Parisini, E.
Deposit date:2020-11-11
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
8CMV
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BU of 8cmv by Molmil
Engineered PETase enzyme from LCC - C09 mutant
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Leaf-branch compost cutinase
Authors:Bhattacharya, S, Estiri, H, Castagna, R, Parisini, E.
Deposit date:2023-02-21
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Engineered PETase Enzyme
To Be Published
6TOR
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BU of 6tor by Molmil
human O-phosphoethanolamine phospho-lyase
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Ethanolamine-phosphate phospho-lyase, GLYCEROL
Authors:Vettraino, C, Donini, S, Parisini, E.
Deposit date:2019-12-11
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural characterization of human O-phosphoethanolamine phospho-lyase.
Acta Crystallogr.,Sect.F, 76, 2020
1BLX
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BU of 1blx by Molmil
P19INK4D/CDK6 COMPLEX
Descriptor: CALCIUM ION, CYCLIN-DEPENDENT KINASE 6, P19INK4D
Authors:Brotherton, D.H, Dhanaraj, V, Wick, S, Brizuela, L, Domaille, P.J, Volyanik, E, Xu, X, Parisini, E, Smith, B.O, Archer, S.J, Serrano, M, Brenner, S.L, Blundell, T.L, Laue, E.D.
Deposit date:1998-07-21
Release date:1999-06-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the complex of the cyclin D-dependent kinase Cdk6 bound to the cell-cycle inhibitor p19INK4d.
Nature, 395, 1998
7B9H
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BU of 7b9h by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a
Descriptor: 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ...
Authors:Torretta, A, Abbate, S, Parisini, E.
Deposit date:2020-12-14
Release date:2021-06-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
6QS9
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BU of 6qs9 by Molmil
Bovine Serum Albumin in complex with Ketoprofen
Descriptor: (R)-Ketoprofen, CALCIUM ION, Serum albumin
Authors:Donini, S, Parisini, E.
Deposit date:2019-02-20
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Biohybrid Electrospun Membrane for the Filtration of Ketoprofen Drug from Water.
Acs Omega, 4, 2019
4OY9
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BU of 4oy9 by Molmil
Crystal structure of human P-Cadherin EC1-EC2 in closed conformation
Descriptor: CALCIUM ION, Cadherin-3
Authors:Dalle Vedove, A, Lucarelli, A.P, Nardone, V, Matino, A, Parisini, E.
Deposit date:2014-02-11
Release date:2015-04-01
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:The X-ray structure of human P-cadherin EC1-EC2 in a closed conformation provides insight into the type I cadherin dimerization pathway.
Acta Crystallogr.,Sect.F, 71, 2015
6F8W
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BU of 6f8w by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-18a
Descriptor: 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ZINC ION, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F6U
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BU of 6f6u by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-7b
Descriptor: 2-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-1-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, GLYCEROL, MAGNESIUM ION, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.828 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F8T
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BU of 6f8t by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-4a
Descriptor: (2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol, MAGNESIUM ION, ZINC ION, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F8V
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BU of 6f8v by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-18b
Descriptor: 3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one, MAGNESIUM ION, ZINC ION, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
6F8U
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BU of 6f8u by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-20b
Descriptor: 2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone, MAGNESIUM ION, ZINC ION, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018
2ATP
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BU of 2atp by Molmil
Crystal structure of a CD8ab heterodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, T-cell surface glycoprotein CD8 alpha chain, T-cell surface glycoprotein CD8 beta chain, ...
Authors:Chang, H.C, Tan, K, Ouyang, J, Parisini, E, Liu, J.H, Le, Y, Wang, X, Reinherz, E.L, Wang, J.H.
Deposit date:2005-08-25
Release date:2005-12-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Mutational Analyses of a CD8alphabeta Heterodimer and Comparison with the CD8alphaalpha Homodimer.
Immunity, 23, 2005
1RQF
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BU of 1rqf by Molmil
Structure of CK2 beta subunit crystallized in the presence of a p21WAF1 peptide
Descriptor: Casein kinase II beta chain, Disordered segment of Cyclin-dependent kinase inhibitor 1, UNKNOWN, ...
Authors:Bertrand, L, Sayed, M.F, Pei, X.-Y, Parisini, E, Dhanaraj, V, Bolanos-Garcia, V.M, Allende, J.E, Blundell, T.L.
Deposit date:2003-12-05
Release date:2004-10-05
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of the regulatory subunit of CK2 in the presence of a p21WAF1 peptide demonstrates flexibility of the acidic loop.
Acta Crystallogr.,Sect.D, 60, 2004
4ZT1
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BU of 4zt1 by Molmil
Crystal structure of human E-Cadherin (residues 3-213) in x-dimer conformation
Descriptor: CALCIUM ION, Cadherin-1
Authors:Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E.
Deposit date:2015-05-14
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
J.Med.Chem., 59, 2016
4ZTE
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BU of 4zte by Molmil
Crystal structure of human E-Cadherin (residues 3-213) in complex with a peptidomimetic inhibitor
Descriptor: CALCIUM ION, Cadherin-1, N-{[(2S,5S)-1-benzyl-5-(2-{[(2S,3S)-1-(tert-butylamino)-3-methyl-1-oxopentan-2-yl]amino}-2-oxoethyl)-3,6-dioxopiperazin-2-yl]methyl}-L-alpha-asparagine
Authors:Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E.
Deposit date:2015-05-14
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction.
J.Med.Chem., 59, 2016
5OC2
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BU of 5oc2 by Molmil
Crystal structure of Asp295Cys/Lys303Cys Amadoriase I mutant from Aspergillus Fumigatus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine:oxygen oxidoreductase
Authors:Rigoldi, F, Donini, S, Gautieri, A, Parisini, E.
Deposit date:2017-06-29
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Thermal stabilization of the deglycating enzyme Amadoriase I by rational design.
Sci Rep, 8, 2018
5OC3
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BU of 5oc3 by Molmil
Crystal structure of Ser67Cys/Pro121Cys Amadoriase I mutant from Aspergillus Fumigatus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine:oxygen oxidoreductase, GLYCEROL
Authors:Rigoldi, F, Donini, S, Gautieri, A, Parisini, E.
Deposit date:2017-06-29
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Thermal stabilization of the deglycating enzyme Amadoriase I by rational design.
Sci Rep, 8, 2018
6F8X
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BU of 6f8x by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-26g
Descriptor: 1,2-ETHANEDIOL, 2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide, DIMETHYL SULFOXIDE, ...
Authors:Prosdocimi, T, Donini, S, Parisini, E.
Deposit date:2017-12-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Bases of PDE4D Inhibition by Memory-Enhancing GEBR Library Compounds.
Biochemistry, 57, 2018

 

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