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PDB: 238 件
4WCF
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BU of 4wcf by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 9
分子名称: 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Di Pisa, F, Pozzi, C.
登録日2014-09-04
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
5J7W
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BU of 5j7w by Molmil
Enterococcus faecalis thymidylate synthase complex with methotrexate
分子名称: METHOTREXATE, SULFATE ION, Thymidylate synthase
著者Mangani, S, Pozzi, C.
登録日2016-04-07
公開日2016-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Eur.J.Med.Chem., 123, 2016
4MJY
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BU of 4mjy by Molmil
Sixty minutes iron loaded frog M ferritin mutant H54Q
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-09-04
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4MKU
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BU of 4mku by Molmil
Frog M ferritin mutant H54Q
分子名称: CHLORIDE ION, Ferritin, middle subunit, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-09-05
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4MN9
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BU of 4mn9 by Molmil
Fifteen minutes iron loaded frog M ferritin mutant H54Q
分子名称: CHLORIDE ION, FE (III) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-09-10
公開日2014-10-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4ML5
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BU of 4ml5 by Molmil
one minute iron loaded frog M ferritin mutant H54Q
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-09-06
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4MY7
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BU of 4my7 by Molmil
frog M ferritin iron-loaded under anaerobic environment
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-09-27
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
5JDC
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BU of 5jdc by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor NP-13 (Hesperetin)
分子名称: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Pozzi, C, Di Pisa, F, Landi, G, Dello Iacono, L.
登録日2016-04-16
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
4WM9
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BU of 4wm9 by Molmil
Acinetobacter baumanii OXA-24 complex with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Mangani, S, Benvenuti, M, Docquier, J.-D.
登録日2014-10-08
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
4WMC
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BU of 4wmc by Molmil
OXA-48 covalent complex with Avibactam inhibitor
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE
著者Mangani, S, Benvenuti, M, Docquier, J.D.
登録日2014-10-08
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
4WCD
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BU of 4wcd by Molmil
Trypanosoma brucei PTR1 in complex with inhibitor 10
分子名称: 5-(1H-benzotriazol-6-yl)-1,3,4-thiadiazol-2-amine, ACETATE ION, GLYCEROL, ...
著者Mangani, S, Di Pisa, F, Pozzi, C.
登録日2014-09-04
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
1CRA
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BU of 1cra by Molmil
THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE
分子名称: 1,2,4-TRIAZOLE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
著者Mangani, S, Liljas, A.
登録日1992-10-21
公開日1994-01-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the complex between human carbonic anhydrase II and the aromatic inhibitor 1,2,4-triazole.
J.Mol.Biol., 232, 1993
4O7U
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BU of 4o7u by Molmil
Etherocomplex of Enteroccocus faecalis thymidylate synthase with 5-hydroxymethilene-6-hydrofolic acid and the phtalimidic inhibitor SS7
分子名称: 1,2-ETHANEDIOL, 4-{[(2S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]oxy}-3,5-dimethylphenyl acetate, 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID, ...
著者Mangani, S, Pozzi, C.
登録日2013-12-26
公開日2014-12-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray crystal structures of Enterococcus faecalis thymidylate synthase with folate binding site inhibitors.
Eur.J.Med.Chem., 123, 2016
3HCM
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BU of 3hcm by Molmil
Crystal structure of human S100B in complex with S45
分子名称: (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine, ACETATE ION, CALCIUM ION, ...
著者Mangani, S, Cesari, L.
登録日2009-05-06
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragmenting the S100B-p53 Interaction: Combined Virtual/Biophysical Screening Approaches to Identify Ligands
Chemmedchem, 5, 2010
1CAN
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BU of 1can by Molmil
CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, NITRATE ION
著者Mangani, S, Hakansson, K.
登録日1992-07-02
公開日1994-01-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic studies of the binding of protonated and unprotonated inhibitors to carbonic anhydrase using hydrogen sulphide and nitrate anions.
Eur.J.Biochem., 210, 1992
1CBX
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BU of 1cbx by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CARBOXYPEPTIDASE A AND THE BIPRODUCT ANALOG INHIBITOR L-BENZYLSUCCINATE AT 2.0 ANGSTROMS RESOLUTION
分子名称: CARBOXYPEPTIDASE A, L-BENZYLSUCCINIC ACID, ZINC ION
著者Mangani, S, Carloni, P, Orioli, P.
登録日1991-10-31
公開日1994-01-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the complex between carboxypeptidase A and the biproduct analog inhibitor L-benzylsuccinate at 2.0 A resolution.
J.Mol.Biol., 223, 1992
1CAO
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BU of 1cao by Molmil
CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS
分子名称: CARBONIC ANHYDRASE II, HYDROSULFURIC ACID, ZINC ION
著者Mangani, S, Hakansson, K.
登録日1992-07-02
公開日1994-01-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic studies of the binding of protonated and unprotonated inhibitors to carbonic anhydrase using hydrogen sulphide and nitrate anions.
Eur.J.Biochem., 210, 1992
4LQV
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BU of 4lqv by Molmil
Thrirty minutes iron loaded frog M ferritin
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-07-19
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4IED
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BU of 4ied by Molmil
Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Class D beta-lactamase, ...
著者Mangani, S, Benvenuti, M, Docquier, J.D.
登録日2012-12-13
公開日2014-01-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of FUS-1 (OXA-85), a Class D beta-lactamase from Fusobacterium nucleatum subsp. polymorphum
To be Published
6I36
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BU of 6i36 by Molmil
SIXTY MINUTES IRON LOADED FROG M FERRITIN
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2018-11-05
公開日2018-12-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Time-Lapse Anomalous X-Ray Diffraction Shows How Fe(2+) Substrate Ions Move Through Ferritin Protein Nanocages To Oxidoreductase Sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LQH
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BU of 4lqh by Molmil
High resolution structure of native frog M ferritin
分子名称: CHLORIDE ION, Ferritin, middle subunit, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-07-18
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LYU
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BU of 4lyu by Molmil
Fifteen minutes iron loaded frog M ferritin
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-07-31
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LYX
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BU of 4lyx by Molmil
five minutes iron loaded frog M ferritin
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-07-31
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LPJ
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BU of 4lpj by Molmil
One minute iron loaded frog M ferritin
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-07-16
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015
4LQJ
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BU of 4lqj by Molmil
Two minutes iron loaded frog M ferritin
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D.
登録日2013-07-18
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Time-lapse anomalous X-ray diffraction shows how Fe(2+) substrate ions move through ferritin protein nanocages to oxidoreductase sites.
Acta Crystallogr.,Sect.D, 71, 2015

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