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PDB: 238 results

3IK0
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BU of 3ik0 by Molmil
Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 7C1
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzenecarboximidamide, Thymidylate synthase
Authors:Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P.
Deposit date:2009-08-05
Release date:2010-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
1BV3
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BU of 1bv3 by Molmil
HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, PROTEIN (CARBONIC ANHYDRASE II), UREA, ...
Authors:Briganti, F, Mangani, S, Scozzafava, A, Vernaglione, G, Supuran, C.T.
Deposit date:1998-09-22
Release date:1999-09-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction?
J.Biol.Inorg.Chem., 4, 1999
1S3T
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BU of 1s3t by Molmil
BORATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE
Descriptor: BORIC ACID, NICKEL (II) ION, SULFATE ION, ...
Authors:Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S.
Deposit date:2004-01-14
Release date:2004-04-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Details of Urease Inhibition by Boric Acid: Insights into the Catalytic Mechanism.
J.Am.Chem.Soc., 126, 2004
3RBC
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BU of 3rbc by Molmil
Bullfrog M ferritin with iron(III) bound to the ferroxidase site
Descriptor: FE (III) ION, Ferritin, middle subunit
Authors:Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P.
Deposit date:2011-03-29
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
3RGD
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BU of 3rgd by Molmil
Iron loaded frog M ferritin. Short soaking time
Descriptor: FE (III) ION, Ferritin, middle subunit
Authors:Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Theil, E.C, Turano, P.
Deposit date:2011-04-08
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
6IAJ
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BU of 6iaj by Molmil
Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant H54N
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2018-11-26
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin.
J.Inorg.Biochem., 197, 2019
6IAF
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BU of 6iaf by Molmil
Fifteen minutes iron loaded Rana Catesbeiana H' ferritin variant H54N
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2018-11-26
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin.
J.Inorg.Biochem., 197, 2019
4O1U
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BU of 4o1u by Molmil
Crystal structure of human thymidylate synthase mutant Y202C
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Pozzi, C, Mangani, S.
Deposit date:2013-12-16
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
Elife, 11, 2022
6I9T
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BU of 6i9t by Molmil
Two minutes iron loaded Rana Catesbeiana H' ferritin variant H54N
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2018-11-25
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin.
J.Inorg.Biochem., 197, 2019
6I9P
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BU of 6i9p by Molmil
Iron-free state of Rana catesbeiana H' ferritin variant H54N
Descriptor: CHLORIDE ION, Ferritin, middle subunit, ...
Authors:Pozzi, C, Di Pisa, F, Mangani, S.
Deposit date:2018-11-24
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin.
J.Inorg.Biochem., 197, 2019
7O65
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BU of 7o65 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 90 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
Deposit date:2021-04-09
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O67
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BU of 7o67 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 15 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
Deposit date:2021-04-09
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O64
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BU of 7o64 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 1 minute.
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
Deposit date:2021-04-09
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
3RE7
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BU of 3re7 by Molmil
Copper (II) loaded Bullfrog Ferritin M chain
Descriptor: COPPER (II) ION, Ferritin, middle subunit
Authors:Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P.
Deposit date:2011-04-02
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural insights into the ferroxidase site of ferritins from higher eukaryotes.
J.Am.Chem.Soc., 134, 2012
4O1X
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BU of 4o1x by Molmil
Crystal structure of human thymidylate synthase double mutant C195S-Y202C
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Pozzi, C, Mangani, S.
Deposit date:2013-12-16
Release date:2015-01-21
Last modified:2023-03-01
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
Elife, 11, 2022
6ZXO
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BU of 6zxo by Molmil
Crystal structure of His-tagged human thymidylate synthase (HT-hTS) in complex with FdUMP and Raltitrexed (Tomudex)
Descriptor: 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, TOMUDEX, ...
Authors:Pozzi, C, Mangani, S.
Deposit date:2020-07-30
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Bases for the Synergistic Inhibition of Human Thymidylate Synthase and Ovarian Cancer Cell Growth by Drug Combinations.
Cancers (Basel), 13, 2021
6ZXI
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BU of 6zxi by Molmil
Crystal Structure of the OXA-48 Carbapenem-Hydrolyzing Class D beta-Lactamase in Complex with the DBO inhibitor ANT3310
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CARBON DIOXIDE, ...
Authors:Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
Deposit date:2020-07-29
Release date:2021-08-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of ANT3310 , a Novel Broad-Spectrum Serine beta-Lactamase Inhibitor of the Diazabicyclooctane Class, Which Strongly Potentiates Meropenem Activity against Carbapenem-Resistant Enterobacterales and Acinetobacter baumannii.
J.Med.Chem., 63, 2020
1OS9
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BU of 1os9 by Molmil
Binary enzyme-product complexes of human MMP12
Descriptor: CALCIUM ION, Macrophage metalloelastase, ZINC ION
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B.
Deposit date:2003-03-19
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
1OS2
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BU of 1os2 by Molmil
Ternary enzyme-product-inhibitor complexes of human MMP12
Descriptor: ACETATE ION, ACETOHYDROXAMIC ACID, AZIDE ION, ...
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B.
Deposit date:2003-03-18
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
7O66
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BU of 7o66 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 60 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
Deposit date:2021-04-09
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O68
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BU of 7o68 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 120 minutes showing either a dioxygen or a superoxide anion coordinated to iron ions in the ferroxidase site.
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
Deposit date:2021-04-09
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O69
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BU of 7o69 by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 5 minutes showing a peroxide anion as bridging species of iron ions in the ferroxidase site
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
Deposit date:2021-04-09
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O6C
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BU of 7o6c by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 15 minutes under anaerobic environment
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
Deposit date:2021-04-09
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O63
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BU of 7o63 by Molmil
High resolution crystal structure of human mitochondrial ferritin (hMTF)
Descriptor: CHLORIDE ION, Ferritin, mitochondrial, ...
Authors:Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
Deposit date:2021-04-09
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
7O6A
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BU of 7o6a by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 5 minutes under anaerobic environment
Descriptor: CHLORIDE ION, FE (II) ION, Ferritin, ...
Authors:Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
Deposit date:2021-04-09
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021

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