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7QVS
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BU of 7qvs by Molmil
Pseudomonas aeruginosa nicotinamide adenine dinucleotide kinase (NADK) structure in complex with NADP
Descriptor: NAD kinase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
Authors:Rahimova, R, Gelin, M, Labesse, G, Lionne, C.
Deposit date:2022-01-23
Release date:2022-09-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design, synthesis and biological evaluation of a NAD + analogue targeting Pseudomonas aeruginosa NAD kinase.
Febs J., 290, 2023
7ZV5
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BU of 7zv5 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 4
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, inhibitor TRIP5
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
7ZV7
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BU of 7zv7 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 57
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, inhibitor 57
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
7ZV8
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BU of 7zv8 by Molmil
Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, OCTANOIC ACID (CAPRYLIC ACID), ...
Authors:Rahimova, R, Di Micco, S, Marquez, J.A.
Deposit date:2022-05-13
Release date:2022-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.937 Å)
Cite:Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2.
Eur.J.Med.Chem., 244, 2022
6FXH
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BU of 6fxh by Molmil
Human cytosolic 5'-nucleotidase II soaked with 10mM 3-Phenyl-N-(9H-purin-6-yl)benzamide
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-03-09
Release date:2019-03-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
5CQZ
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BU of 5cqz by Molmil
Human cytosolic 5'-nucleotidase II in complex with 3-(3-Imidazol-1-ylphenyl)-N-(9H-purin-6-yl)benzamide
Descriptor: 1-(biphenyl-3-yl)-1H-imidazole, Cytosolic purine 5'-nucleotidase, GLYCEROL, ...
Authors:Preeti, P, Aghajari, N.
Deposit date:2015-07-22
Release date:2015-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Noncompetitive Inhibitors of Cytosolic 5'-Nucleotidase II Using a Fragment-Based Approach.
J.Med.Chem., 58, 2015
5CR7
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BU of 5cr7 by Molmil
Human cytosolic 5'-nucleotidase II in complex with N-(9H-Purin-6-yl)-3-(3-pyrrol-1-ylphenyl)benzamide
Descriptor: ACETATE ION, Cytosolic purine 5'-nucleotidase, GLYCEROL, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2015-07-22
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification of Noncompetitive Inhibitors of Cytosolic 5'-Nucleotidase II Using a Fragment-Based Approach.
J.Med.Chem., 58, 2015
6FIS
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BU of 6fis by Molmil
Human cytosolic 5'-nucleotidase II soaked with 10mM 7-Benzyloxymethyl-7H-adenine
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
6FIW
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BU of 6fiw by Molmil
Human cytosolic 5'-nucleotidase II co-crystallized with 10mM Sodium ((4-(3'-((7H-purin-6-yl)carbamoyl)-[1,1'-biphenyl]-3-yl)-1H-imidazol-1-yl) methyl) phosphonate
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
6FIR
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BU of 6fir by Molmil
Human cytosolic 5'-nucleotidase II soaked with 5mM3-Phenyl-N-(9H-purin-6-yl)benzamide
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019
6FIU
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BU of 6fiu by Molmil
Human cytosolic 5'-nucleotidase II soaked with 10mM 2-(6-([1,1'-Biphenyl]-3-carboxamido)-9H-purin-9-yl)acetic acid
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Aghajari, N, Preeti, P.
Deposit date:2018-01-19
Release date:2019-01-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lead optimization and biological evaluation of fragment-based cN-II inhibitors.
Eur J Med Chem, 168, 2019

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