4LRR
 
 | | Ternary complex between E. coli thymidylate synthase, dUMP, and F9 | | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, SULFATE ION, ... | | 著者 | Mangani, S, Pozzi, C, Ferrari, S, Costi, M.P. | | 登録日 | 2013-07-20 | | 公開日 | 2013-11-06 | | 最終更新日 | 2013-12-11 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | 2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives.
J.Med.Chem., 56, 2013
|
|
5WCM
 | | Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement | | 分子名称: | 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION | | 著者 | Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S. | | 登録日 | 2017-06-30 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob. Agents Chemother., 54, 2010
|
|
6Z2Z
 | |
6Z2U
 | |
8OF2
 | | Trypanosoma brucei pteridine reductase 1 (TbPTR1) in complex with 2,4,6 triamminopyrimidine (TAP) | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Tassone, G, Landi, G, Mangani, S, Pozzi, C. | | 登録日 | 2023-03-13 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | The discovery of aryl-2-nitroethyl triamino pyrimidines as anti-Trypanosoma brucei agents.
Eur.J.Med.Chem., 264, 2023
|
|
1IE7
 | | PHOSPHATE INHIBITED BACILLUS PASTEURII UREASE CRYSTAL STRUCTURE | | 分子名称: | NICKEL (II) ION, PHOSPHATE ION, UREASE ALPHA SUBUNIT, ... | | 著者 | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | | 登録日 | 2001-04-09 | | 公開日 | 2001-04-25 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-based rationalization of urease inhibition by phosphate: novel insights into the enzyme mechanism.
J.Biol.Inorg.Chem., 6, 2001
|
|
2UBP
 | | STRUCTURE OF NATIVE UREASE FROM BACILLUS PASTEURII | | 分子名称: | NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), PROTEIN (UREASE BETA SUBUNIT), ... | | 著者 | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | | 登録日 | 1998-11-04 | | 公開日 | 1999-11-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999
|
|
4UBP
 | | STRUCTURE OF BACILLUS PASTEURII UREASE INHIBITED WITH ACETOHYDROXAMIC ACID AT 1.55 A RESOLUTION | | 分子名称: | ACETOHYDROXAMIC ACID, NICKEL (II) ION, PROTEIN (UREASE (CHAIN A)), ... | | 著者 | Benini, S, Rypniewski, W.R, Wilson, K.S, Ciurli, S, Mangani, S. | | 登録日 | 1999-02-25 | | 公開日 | 2000-03-06 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The complex of Bacillus pasteurii urease with acetohydroxamate anion from X-ray data at 1.55 A resolution.
J.Biol.Inorg.Chem., 5, 2000
|
|
5J93
 | | Five minutes iron loaded Rana Catesbeiana H' ferritin variant E57A/E136A/D140A | | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | 著者 | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Turano, P. | | 登録日 | 2016-04-08 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Ferroxidase Activity in Eukaryotic Ferritin is Controlled by Accessory-Iron-Binding Sites in the Catalytic Cavity.
Chemistry, 22, 2016
|
|
5T7O
 | | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | | 分子名称: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, ... | | 著者 | Di Pisa, F, Dello Iacono, L, Bonucci, A, Mangani, S. | | 登録日 | 2016-09-05 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase in complex with (6S)-5,6,7,8-TETRAHYDROFOLATE
To Be Published
|
|
9FXI
 | | Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase in complex with SEN177 | | 分子名称: | 2-fluoranyl-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine, COBALT (II) ION, Glutaminyl-peptide cyclotransferase, ... | | 著者 | Tassone, G, Pozzi, C, Mangani, S. | | 登録日 | 2024-07-01 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
|
|
9FXH
 | | Crystal structure of cobalt(II)-substituted double mutant Y115E Y117E human Glutaminyl Cyclase | | 分子名称: | COBALT (II) ION, GLYCEROL, Glutaminyl-peptide cyclotransferase, ... | | 著者 | Tassone, G, Pozzi, C, Mangani, S. | | 登録日 | 2024-07-01 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
|
|
9FXG
 | | Crystal structure of double mutant Y115E Y117E human Glutaminyl Cyclase in apo-state | | 分子名称: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION | | 著者 | Tassone, G, Pozzi, C, Mangani, S. | | 登録日 | 2024-07-01 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Metal Ion Binding to Human Glutaminyl Cyclase: A Structural Perspective.
Int J Mol Sci, 25, 2024
|
|
3C0A
 | | 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
 | | 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
 | | 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
 | | 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
|
|
5JCJ
 | | Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7) | | 分子名称: | 2-(3,4-dihydroxyphenyl)-3,6-dihydroxy-4H-1-benzopyran-4-one, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Landi, G, Pozzi, C, Di Pisa, F, Dello Iacono, L, Mangani, S. | | 登録日 | 2016-04-15 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Profiling of Flavonol Derivatives for the Development of Antitrypanosomatidic Drugs.
J.Med.Chem., 59, 2016
|
|
3UBP
 | | DIAMIDOPHOSPHATE INHIBITED BACILLUS PASTEURII UREASE | | 分子名称: | DIAMIDOPHOSPHATE, NICKEL (II) ION, PROTEIN (UREASE ALPHA SUBUNIT), ... | | 著者 | Benini, S, Rypniewski, W.R, Wilson, K.S, Miletti, S, Mangani, S, Ciurli, S. | | 登録日 | 1998-12-16 | | 公開日 | 1999-12-17 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A new proposal for urease mechanism based on the crystal structures of the native and inhibited enzyme from Bacillus pasteurii: why urea hydrolysis costs two nickels.
Structure Fold.Des., 7, 1999
|
|
6TSJ
 | | 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
|
|
5IZC
 | | Trypanosoma brucei PTR1 in complex with inhibitor F032 | | 分子名称: | ACETATE ION, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Pozzi, C, Landi, G, Di Pisa, F, Mangani, S. | | 登録日 | 2016-03-25 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.92 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
|
|
6TRZ
 | | 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
|
|
6TSA
 | | 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
|
|
6TSF
 | | 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
|
|
8AGI
 | | Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with JMC31 | | 分子名称: | 1-[2,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-5-[4-[(cyclohexylmethylamino)methyl]phenyl]-~{N}-ethyl-1,2,3-triazole-4-carboxamide, Heat shock protein HSP 90-alpha | | 著者 | Tassone, G, Pozzi, C, Mazzorana, M, Mangani, S, Maramai, S. | | 登録日 | 2022-07-20 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Characterization of Human Heat Shock Protein 90 N-Terminal Domain and Its Variants K112R and K112A in Complex with a Potent 1,2,3-Triazole-Based Inhibitor.
Int J Mol Sci, 23, 2022
|
|
