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PDB: 190 件

5EOE
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Crystal structure of extended-spectrum beta-lactamase BEL-1 (orthorhombic form)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, Beta-lactamase, ...
著者Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2015-11-10
公開日2016-09-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
5EUA
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Crystal structure of extended-spectrum beta-lactamase BEL-1 in complex with Moxalactam
分子名称: (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3 -oxazine-4-carboxylic acid, Beta-lactamase, SODIUM ION
著者Pozzi, C, De Luca, F, Benvenuti, M, Docquier, J.D, Mangani, S.
登録日2015-11-18
公開日2016-09-21
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of the Pseudomonas aeruginosa BEL-1 Extended-Spectrum beta-Lactamase and Its Complexes with Moxalactam and Imipenem.
Antimicrob.Agents Chemother., 60, 2016
6QYQ
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Crystal structure of human thymidylate synthase (hTS) variant R175C
分子名称: CHLORIDE ION, N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ...
著者Pozzi, C, Mangani, M.
登録日2019-03-09
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and Functional Characterization of the Human Thymidylate Synthase (hTS) Interface Variant R175C, New Perspectives for the Development of hTS Inhibitors.
Molecules, 24, 2019
3N5G
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Crystal Structure of histidine-tagged human thymidylate synthase
分子名称: SULFATE ION, Thymidylate synthase
著者Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S.
登録日2010-05-25
公開日2011-06-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3N5E
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Crystal Structure of human thymidylate synthase bound to a peptide inhibitor
分子名称: SULFATE ION, Synthetic peptide LR, Thymidylate synthase
著者Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S.
登録日2010-05-25
公開日2011-06-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
8RHT
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Crystal Structure of Trypanosoma brucei DHFR in complex with the cofactor and inhibitor P25
分子名称: 4,4,7,8-tetramethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Pozzi, C, Mangani, S, Landi, G.
登録日2023-12-17
公開日2024-11-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of Innovative Folate Inhibitors Leveraging the Amino Dihydrotriazine Motif from Cycloguanil for Their Potential as Anti- Trypanosoma brucei Agents.
Acs Infect Dis., 10, 2024
8RHY
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Crystal Structure of Trypanosoma brucei PTR1 in complex with the cofactor and inhibitor P34
分子名称: 1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase
著者Pozzi, C, Mangani, S, Landi, G.
登録日2023-12-17
公開日2024-11-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Identification of Innovative Folate Inhibitors Leveraging the Amino Dihydrotriazine Motif from Cycloguanil for Their Potential as Anti- Trypanosoma brucei Agents.
Acs Infect Dis., 10, 2024
8RHX
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Crystal Structure of Trypanosoma brucei PTR1 in complex with the cofactor and inhibitor P32
分子名称: 1-[4,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pozzi, C, Mangani, S, Landi, G.
登録日2023-12-17
公開日2024-11-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Identification of Innovative Folate Inhibitors Leveraging the Amino Dihydrotriazine Motif from Cycloguanil for Their Potential as Anti- Trypanosoma brucei Agents.
Acs Infect Dis., 10, 2024
8RHW
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Crystal Structure of Trypanosoma brucei PTR1 in complex with the cofactor and inhibitor P31
分子名称: 1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pozzi, C, Mangani, S, Landi, G.
登録日2023-12-17
公開日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of Innovative Folate Inhibitors Leveraging the Amino Dihydrotriazine Motif from Cycloguanil for Their Potential as Anti- Trypanosoma brucei Agents.
Acs Infect Dis., 10, 2024
8RHU
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Crystal Structure of Trypanosoma brucei PTR1 in complex with the cofactor and inhibitor P25
分子名称: 4,4,7,8-tetramethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pozzi, C, Mangani, S, Landi, G.
登録日2023-12-17
公開日2024-11-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Identification of Innovative Folate Inhibitors Leveraging the Amino Dihydrotriazine Motif from Cycloguanil for Their Potential as Anti- Trypanosoma brucei Agents.
Acs Infect Dis., 10, 2024
8RHV
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Crystal Structure of Trypanosoma brucei PTR1 in complex with the cofactor and inhibitor P30
分子名称: 7-methoxy-4,4-dimethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pozzi, C, Mangani, S, Landi, G.
登録日2023-12-17
公開日2024-11-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of Innovative Folate Inhibitors Leveraging the Amino Dihydrotriazine Motif from Cycloguanil for Their Potential as Anti- Trypanosoma brucei Agents.
Acs Infect Dis., 10, 2024
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
4Y08
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ONE MINUTE IRON LOADED HUMAN H FERRITIN
分子名称: CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ...
著者Pozzi, C, Di Pisa, F, Mangani, S.
登録日2015-02-05
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
4ZJK
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FIVE MINUTES IRON LOADED HUMAN H FERRITIN
分子名称: CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ...
著者Pozzi, C, Di Pisa, F, Mangani, S.
登録日2015-04-29
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
4YKH
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Thirty minutes iron loaded human H ferritin
分子名称: BICINE, CHLORIDE ION, FE (II) ION, ...
著者Pozzi, C, Di Pisa, F, Mangani, S.
登録日2015-03-04
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Iron binding to human heavy-chain ferritin.
Acta Crystallogr.,Sect.D, 71, 2015
6TS1
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Crystal structure of human L ferritin (HuLf) triple variant E60A-E61A-E64A Fe(III)-loaded for 60 minutes
分子名称: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-19
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TSS
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BU of 6tss by Molmil
Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 60 minutes
分子名称: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-21
公開日2020-02-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TR9
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Crystal structure of human L ferritin (HuLf) triple variant E60A-E61A-E64A
分子名称: CADMIUM ION, Ferritin light chain
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-18
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TSJ
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Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 15 minutes
分子名称: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-20
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TRZ
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BU of 6trz by Molmil
Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 15 minutes
分子名称: CADMIUM ION, CHLORIDE ION, FE (III) ION, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-19
公開日2020-02-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TSF
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BU of 6tsf by Molmil
Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 60 minutes
分子名称: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-20
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
6TSA
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BU of 6tsa by Molmil
Crystal structure of human L ferritin (HuLf) Fe(III)-loaded for 30 minutes
分子名称: CADMIUM ION, FE (III) ION, Ferritin light chain, ...
著者Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S.
登録日2019-12-20
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
5NJW
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Crystal Structure of BJP-1 metallo beta-lactamase in complex with boric acid
分子名称: 1,2-ETHANEDIOL, BORIC ACID, Blr6230 protein, ...
著者Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S.
登録日2017-03-29
公開日2017-09-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design
Inorg.Chim.Acta., 2017
5NGG
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Crystal structure of the subclass B3 metallo-beta-lactamase BJP-1 in complex with acetate anion
分子名称: ACETATE ION, Blr6230 protein, ZINC ION
著者Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S.
登録日2017-03-17
公開日2017-09-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Boric acid and acetate anion binding to subclass B3 metallo-Beta-lactamase BJP-1 provides clues for mechanism of action and inhibitor design
Inorg.Chim.Acta., 2017
3IK1
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Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, Thymidylate synthase
著者Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P.
登録日2009-08-05
公開日2010-08-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 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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