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PDB: 234 件

7O6D
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BU of 7o6d by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 3 minutes under anaerobic environment
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
登録日2021-04-09
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
5L42
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BU of 5l42 by Molmil
Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3
分子名称: (2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S.
登録日2016-05-24
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
7OWY
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BU of 7owy by Molmil
Crystal structure of human mitochondrial ferritin (hMTF) Fe(II)-loaded for 3 minutes showing a peroxide anion as bridging species of iron ions in the ferroxidase site
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Ciambellotti, S, Tassone, G, Turano, P, Mangani, S.
登録日2021-06-21
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Iron Binding in the Ferroxidase Site of Human Mitochondrial Ferritin.
Chemistry, 27, 2021
5L4N
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BU of 5l4n by Molmil
Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 1
分子名称: (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S.
登録日2016-05-26
公開日2017-03-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
2GQM
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BU of 2gqm by Molmil
Solution structure of Human Cu(I)-Sco1
分子名称: COPPER (I) ION, SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Palumaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-04-21
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6I9P
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BU of 6i9p by Molmil
Iron-free state of Rana catesbeiana H' ferritin variant H54N
分子名称: CHLORIDE ION, Ferritin, middle subunit, ...
著者Pozzi, C, Di Pisa, F, Mangani, S.
登録日2018-11-24
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin.
J.Inorg.Biochem., 197, 2019
2GQL
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BU of 2gql by Molmil
Solution structure of Human Ni(II)-Sco1
分子名称: NICKEL (II) ION, SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Palumaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-04-21
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GQK
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BU of 2gqk by Molmil
Solution structure of Human Ni(II)-Sco1
分子名称: NICKEL (II) ION, SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Palumaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-04-21
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6IAJ
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BU of 6iaj by Molmil
Sixty minutes iron loaded Rana Catesbeiana H' ferritin variant H54N
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Di Pisa, F, Mangani, S.
登録日2018-11-26
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Di Pisa, F, Mangani, S.
登録日2018-11-26
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin.
J.Inorg.Biochem., 197, 2019
2GVP
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BU of 2gvp by Molmil
Solution structure of Human apo Sco1
分子名称: SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Paulmaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-05-03
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6I9T
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BU of 6i9t by Molmil
Two minutes iron loaded Rana Catesbeiana H' ferritin variant H54N
分子名称: CHLORIDE ION, FE (II) ION, Ferritin, ...
著者Pozzi, C, Di Pisa, F, Mangani, S.
登録日2018-11-25
公開日2019-05-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin.
J.Inorg.Biochem., 197, 2019
6YRP
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BU of 6yrp by Molmil
Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with JMV-4690 (Cpd 31)
分子名称: 1,2-ETHANEDIOL, 2-[[[3-(5-methoxy-2-oxidanyl-phenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]amino]methyl]benzoic acid, ACETATE ION, ...
著者Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S.
登録日2020-04-20
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 208, 2020
2GT6
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BU of 2gt6 by Molmil
Solution structure of Human Cu(I) Sco1
分子名称: COPPER (I) ION, SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Palumaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-04-27
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2GT5
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BU of 2gt5 by Molmil
Solution structure of apo Human Sco1
分子名称: SCO1 protein homolog, mitochondrial
著者Banci, L, Bertini, I, Calderone, V, Ciofi-Baffoni, S, Mangani, S, Palumaa, P, Martinelli, M, Wang, S, Structural Proteomics in Europe (SPINE)
登録日2006-04-27
公開日2006-06-06
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A hint for the function of human Sco1 from different structures.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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)
分子名称: 1,2-ETHANEDIOL, 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, TOMUDEX, ...
著者Pozzi, C, Mangani, S.
登録日2020-07-30
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Bases for the Synergistic Inhibition of Human Thymidylate Synthase and Ovarian Cancer Cell Growth by Drug Combinations.
Cancers (Basel), 13, 2021
4KPW
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BU of 4kpw by Molmil
Crystal structure of His-tagged human thymidylate synthase R175A mutant
分子名称: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
著者Pozzi, C, Mangani, S.
登録日2013-05-14
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Hotspots in an obligate homodimeric anticancer target. Structural and functional effects of interfacial mutations in human thymidylate synthase.
J.Med.Chem., 58, 2015
4O1X
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BU of 4o1x by Molmil
Crystal structure of human thymidylate synthase double mutant C195S-Y202C
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Pozzi, C, Mangani, S.
登録日2013-12-16
公開日2015-01-21
最終更新日2023-03-01
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
Elife, 11, 2022
4O1U
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BU of 4o1u by Molmil
Crystal structure of human thymidylate synthase mutant Y202C
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
著者Pozzi, C, Mangani, S.
登録日2013-12-16
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Destabilizers of the thymidylate synthase homodimer accelerate its proteasomal degradation and inhibit cancer growth.
Elife, 11, 2022
1YCM
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BU of 1ycm by Molmil
Solution Structure of matrix metalloproteinase 12 (MMP12) in the presence of N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)
分子名称: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P, Structural Proteomics in Europe (SPINE)
登録日2004-12-22
公開日2005-04-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1Z3J
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BU of 1z3j by Molmil
Solution Structure of MMP12 in the presence of N-isobutyl-N-4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)
分子名称: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P.
登録日2005-03-13
公開日2005-04-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
3C0A
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BU of 3c0a by Molmil
Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 2
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S.
登録日2008-01-19
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3BNZ
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BU of 3bnz by Molmil
Crystal structure of Thymidylate Synthase ternary complex with dUMP and 8A inhibitor
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile, PHOSPHATE ION, ...
著者Leone, R, Cancian, L, Luciani, R, Ferrari, S, Costi, M.P, Mangani, S.
登録日2007-12-15
公開日2008-12-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3BYX
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BU of 3byx by Molmil
Lactobacillus CASEI Thymidylate Synthase Ternary Complex with DUMP and the Phtalimidic Derivative C00 in Multiple Binding Modes
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S.
登録日2008-01-16
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011
3C06
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BU of 3c06 by Molmil
Lactobacillus CASEI Thymidylate Synthase Ternary Complex With DUMP and the Phtalimidic Derivative 14C in Multiple Binding Modes-Mode 1
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-(2-chloropyridin-4-yl)-4-methyl-1H-isoindole-1,3(2H)-dione, Thymidylate synthase
著者Leone, R, Mangani, S, Cancian, L, Costi, M.P, Luciani, R, Ferrari, S.
登録日2008-01-18
公開日2009-01-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening
J.Med.Chem., 54, 2011

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