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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
分子名称: IRON/SULFUR CLUSTER, PROTEIN (HIPIP)
著者Parisini, E, Capozzi, F, Lubini, P, Lamzin, V, Luchinat, C, Sheldrick, G.M.
登録日1999-04-24
公開日1999-05-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Ab initio solution and refinement of two high-potential iron protein structures at atomic resolution.
Acta Crystallogr.,Sect.D, 55, 1999
2O72
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BU of 2o72 by Molmil
Crystal Structure Analysis of human E-cadherin (1-213)
分子名称: CALCIUM ION, Epithelial-cadherin
著者Parisini, E, Wang, J.-H.
登録日2006-12-09
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
1BLX
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BU of 1blx by Molmil
P19INK4D/CDK6 COMPLEX
分子名称: CALCIUM ION, CYCLIN-DEPENDENT KINASE 6, P19INK4D
著者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.
登録日1998-07-21
公開日1999-06-01
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the complex of the cyclin D-dependent kinase Cdk6 bound to the cell-cycle inhibitor p19INK4d.
Nature, 395, 1998
8QIC
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BU of 8qic by Molmil
Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors
分子名称: 2-oxidanyl-5-[[4-(phenylmethyl)phenyl]sulfamoyl]benzoic acid, GLYCEROL, Threonine--tRNA ligase, ...
著者Rodriguez, J.A, Parisini, E.
登録日2023-09-13
公開日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based identification of salicylic acid derivatives as malarial threonyl tRNA-synthetase inhibitors.
Plos One, 19, 2024
8OU8
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BU of 8ou8 by Molmil
Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Threonine--tRNA ligase, ...
著者Rodriguez Buitrago, J.A, Parisini, E, Aigars, J.
登録日2023-04-22
公開日2023-07-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor.
Org.Biomol.Chem., 21, 2023
4WCT
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BU of 4wct by Molmil
The crystal structure of Fructosyl amine: oxygen oxidoreductase (Amadoriase I) from Aspergillus fumigatus
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine:oxygen oxidoreductase
著者Rigoldi, F, Gautieri, A, Dalle Vedove, A, Lucarelli, A.P, Vesentini, S, Parisini, E.
登録日2014-09-05
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structure of the deglycating enzyme Amadoriase I in its free form and substrate-bound complex.
Proteins, 84, 2016
6TOR
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BU of 6tor by Molmil
human O-phosphoethanolamine phospho-lyase
分子名称: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Ethanolamine-phosphate phospho-lyase, GLYCEROL
著者Vettraino, C, Donini, S, Parisini, E.
登録日2019-12-11
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural characterization of human O-phosphoethanolamine phospho-lyase.
Acta Crystallogr.,Sect.F, 76, 2020
4OY9
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Crystal structure of human P-Cadherin EC1-EC2 in closed conformation
分子名称: CALCIUM ION, Cadherin-3
著者Dalle Vedove, A, Lucarelli, A.P, Nardone, V, Matino, A, Parisini, E.
登録日2014-02-11
公開日2015-04-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
2ATP
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BU of 2atp by Molmil
Crystal structure of a CD8ab heterodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, T-cell surface glycoprotein CD8 alpha chain, T-cell surface glycoprotein CD8 beta chain, ...
著者Chang, H.C, Tan, K, Ouyang, J, Parisini, E, Liu, J.H, Le, Y, Wang, X, Reinherz, E.L, Wang, J.H.
登録日2005-08-25
公開日2005-12-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and Mutational Analyses of a CD8alphabeta Heterodimer and Comparison with the CD8alphaalpha Homodimer.
Immunity, 23, 2005
7AY6
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BU of 7ay6 by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b
分子名称: 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, ...
著者Torretta, A, Abbate, S, Parisini, E.
登録日2020-11-11
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
7B9H
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BU of 7b9h by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-42a
分子名称: 1,2-ETHANEDIOL, 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one, MAGNESIUM ION, ...
著者Torretta, A, Abbate, S, Parisini, E.
登録日2020-12-14
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
1RQF
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BU of 1rqf by Molmil
Structure of CK2 beta subunit crystallized in the presence of a p21WAF1 peptide
分子名称: Casein kinase II beta chain, Disordered segment of Cyclin-dependent kinase inhibitor 1, UNKNOWN, ...
著者Bertrand, L, Sayed, M.F, Pei, X.-Y, Parisini, E, Dhanaraj, V, Bolanos-Garcia, V.M, Allende, J.E, Blundell, T.L.
登録日2003-12-05
公開日2004-10-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献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
6QS9
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BU of 6qs9 by Molmil
Bovine Serum Albumin in complex with Ketoprofen
分子名称: (R)-Ketoprofen, CALCIUM ION, Serum albumin
著者Donini, S, Parisini, E.
登録日2019-02-20
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.802 Å)
主引用文献Biohybrid Electrospun Membrane for the Filtration of Ketoprofen Drug from Water.
Acs Omega, 4, 2019
8BMU
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BU of 8bmu by Molmil
Engineered Fructosyl Peptide Oxidase - X04 mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X04), ...
著者Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
登録日2022-11-11
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineered Fructosyl Peptide Oxidase - X04 mutant
To Be Published
8BJY
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BU of 8bjy by Molmil
Engineered Fructosyl Peptide Oxidase - X02B mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02B), GLYCEROL
著者Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
登録日2022-11-08
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.475 Å)
主引用文献Engineered Fructosyl Peptide Oxidase - X02B mutant
To Be Published
8BLX
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BU of 8blx by Molmil
Engineered Fructosyl Peptide Oxidase - X02A mutant
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (X02A), ...
著者Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
登録日2022-11-10
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Engineered Fructosyl Peptide Oxidase - X02A mutant
To Be Published
8BLZ
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BU of 8blz by Molmil
Engineered Fructosyl Peptide Oxidase - D02 mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase mutant (D02), GLYCEROL, ...
著者Estiri, H, Bhattacharya, S, Rodriguez-Buitrago, J.A, Parisini, E.
登録日2022-11-10
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Fructosyl Peptide Oxidase mutant (D02)
To Be Published
8CMV
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BU of 8cmv by Molmil
Engineered PETase enzyme from LCC - C09 mutant
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Leaf-branch compost cutinase
著者Bhattacharya, S, Estiri, H, Castagna, R, Parisini, E.
登録日2023-02-21
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Engineered PETase Enzyme
To Be Published
6Y4J
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BU of 6y4j by Molmil
Engineered Fructosyl Peptide Oxidase
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl Peptide Oxidase, GLYCEROL, ...
著者Donini, S, Rigoldi, F, Gautieri, A, Parisini, E.
登録日2020-02-21
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Rational backbone redesign of a fructosyl peptide oxidase to widen its active site access tunnel.
Biotechnol.Bioeng., 117, 2020
6YXS
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BU of 6yxs by Molmil
Crystal structure of the apo form of choline kinase from Plasmodium falciparum
分子名称: Choline kinase, GLYCEROL, MAGNESIUM ION, ...
著者Torretta, A, Parisini, E.
登録日2020-05-03
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the Apo and the ADP-Bound Form of Choline Kinase from Plasmodium falciparum
Crystals, 2020
6YXT
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BU of 6yxt by Molmil
Crystal structure of the ADP-bound form of choline kinase from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Choline kinase, ...
著者Torretta, A, Parisini, E.
登録日2020-05-03
公開日2020-08-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the Apo and the ADP-Bound Form of Choline Kinase from Plasmodium falciparum
Crystals, 2020
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
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine:oxygen oxidoreductase, LYSINE, ...
著者Rigoldi, F, Gautieri, A, Dalle Vedove, A, Lucarelli, A.P, Vesentini, S, Parisini, E.
登録日2015-01-29
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the deglycating enzyme Amadoriase I in its free form and substrate-bound complex.
Proteins, 84, 2016
4ZT1
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BU of 4zt1 by Molmil
Crystal structure of human E-Cadherin (residues 3-213) in x-dimer conformation
分子名称: CALCIUM ION, Cadherin-1
著者Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E.
登録日2015-05-14
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献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
分子名称: 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
著者Nardone, V, Lucarelli, A.P, Dalle Vedove, A, Parisini, E.
登録日2015-05-14
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献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
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fructosyl amine:oxygen oxidoreductase
著者Rigoldi, F, Donini, S, Gautieri, A, Parisini, E.
登録日2017-06-29
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Thermal stabilization of the deglycating enzyme Amadoriase I by rational design.
Sci Rep, 8, 2018

 

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