6RLY
 
 | | Human MMP12 (catalytic domain) in complex with AP316 | | 分子名称: | 2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ... | | 著者 | Calderone, V, Fragai, M, Luchinat, C. | | 登録日 | 2019-05-03 | | 公開日 | 2020-03-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Exploration of zinc-binding groups for the design of inhibitors for the oxytocinase subfamily of M1 aminopeptidases.
Bioorg.Med.Chem., 27, 2019
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3NXA
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3LK8
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2OY2
 | | Human MMP-8 in complex with peptide IAG | | 分子名称: | CALCIUM ION, ILE-ALA-GLY peptide, Neutrophil collagenase, ... | | 著者 | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | | 登録日 | 2007-02-21 | | 公開日 | 2007-03-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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2OY4
 | | Uninhibited human MMP-8 | | 分子名称: | CALCIUM ION, Neutrophil collagenase, ZINC ION | | 著者 | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | | 登録日 | 2007-02-21 | | 公開日 | 2007-03-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
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2HEG
 | | Phospho-Aspartyl Intermediate Analogue of Apha class B acid phosphatase/phosphotransferase | | 分子名称: | Class B acid phosphatase, MAGNESIUM ION | | 著者 | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | | 登録日 | 2006-06-21 | | 公開日 | 2008-03-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 |
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2HF7
 | | Transition State Analogue of AphA class B Acid Phosphatase/Phosphotransferase (Aluminium Fluoride Complex) | | 分子名称: | ALUMINUM FLUORIDE, Class B acid phosphatase, MAGNESIUM ION | | 著者 | Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S. | | 登録日 | 2006-06-23 | | 公開日 | 2008-03-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 |
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1NAQ
 | | Crystal structure of CUTA1 from E.coli at 1.7 A resolution | | 分子名称: | MERCURIBENZOIC ACID, MERCURY (II) ION, Periplasmic divalent cation tolerance protein cutA | | 著者 | Calderone, V, Mangani, S, Benvenuti, M, Viezzoli, M.S, Banci, L, Bertini, I, Structural Proteomics in Europe (SPINE) | | 登録日 | 2002-11-28 | | 公開日 | 2003-11-25 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The evolutionarily conserved trimeric structure of CutA1 proteins suggests a role in signal transduction.
J.Biol.Chem., 278, 2003
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3ECW
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3ECV
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3ECU
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1Q3A
 | | Crystal structure of the catalytic domain of human matrix metalloproteinase 10 | | 分子名称: | CALCIUM ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, Stromelysin-2, ... | | 著者 | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | | 登録日 | 2003-07-29 | | 公開日 | 2004-04-06 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of the catalytic domain of human matrix metalloproteinase 10.
J.Mol.Biol., 336, 2004
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3HBR
 | | Crystal structure of OXA-48 beta-lactamase | | 分子名称: | 1,2-ETHANEDIOL, OXA-48 | | 著者 | Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D. | | 登録日 | 2009-05-05 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
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3CJK
 | | Crystal structure of the adduct HAH1-Cd(II)-MNK1. | | 分子名称: | CADMIUM ION, Copper transport protein ATOX1, Copper-transporting ATPase 1 | | 著者 | Banci, L, Bertini, I, Calderone, V, Felli, I, Della-Malva, N, Pavelkova, A, Rosato, A. | | 登録日 | 2008-03-13 | | 公開日 | 2008-12-30 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Copper(I)-mediated protein-protein interactions result from suboptimal interaction surfaces.
Biochem.J., 422, 2009
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1U3N
 | | A SOD-like protein from B. subtilis, unstructured in solution, becomes ordered in the crystal: implications for function and for fibrillogenesis | | 分子名称: | Hypothetical superoxide dismutase-like protein yojM | | 著者 | Banci, L, Bertini, I, Calderone, V, Cramaro, F, Del Conte, R, Fantoni, A, Mangani, S, Quattrone, A, Viezzoli, M.S. | | 登録日 | 2004-07-22 | | 公開日 | 2005-05-03 | | 最終更新日 | 2024-11-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A prokaryotic superoxide dismutase paralog lacking two Cu ligands: from largely unstructured in solution to ordered in the crystal.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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9GYH
 | | HEW Lysozyme with His 15 functionalized with iodoacetamide | | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | | 著者 | da Silva, J.S.P, Delgado, J.M.L, Bruno, F, Calderone, V, Ravera, E. | | 登録日 | 2024-10-02 | | 公開日 | 2025-02-26 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | The structure of His15 acetamide-modified hen egg-white lysozyme: a nice surprise from an old friend.
Acta Crystallogr.,Sect.F, 81, 2025
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7QZP
 | | Identification and characterization of an RRM-containing, ELAV-like, RNA binding protein in Acinetobacter Baumannii | | 分子名称: | Hypothetical RNA binding protein from Acinetobacter baumannii | | 著者 | Ciani, C, Perez-Rafols, A, Bonomo, I, Micaelli, M, Esposito, A, Zucal, C, Belli, R, D'Agostino, V.G, Bianconi, I, Calderone, V, Cerofolini, L, Fragai, M, Provenzani, A. | | 登録日 | 2022-01-31 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Identification and Characterization of an RRM-Containing, RNA Binding Protein in Acinetobacter baumannii .
Biomolecules, 12, 2022
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6Y91
 | | Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH | | 分子名称: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M. | | 登録日 | 2020-03-06 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
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8AWW
 | | Transthyretin conjugated with a tafamidis derivative | | 分子名称: | Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide | | 著者 | Cerofolini, L, Vasa, K, Bianconi, E, Salobehaj, M, Cappelli, G, Licciardi, G, Perez-Rafols, A, Padilla Cortes, L.D, Antonacci, S, Rizzo, D, Ravera, E, Calderone, V, Parigi, G, Luchinat, C, Macchiarulo, A, Menichetti, S, Fragai, M. | | 登録日 | 2022-08-30 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates.
Angew.Chem.Int.Ed.Engl., 62, 2023
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4IJO
 | | Unraveling hidden allosteric regulatory sites in structurally homologues metalloproteases | | 分子名称: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | | 著者 | Udi, Y, Fragai, M, Grossman, M, Mitternacht, S, Arad-Yellin, R, Calderone, V, Melikian, M, Toccafondi, M, Berezovsky, I.N, Luchinat, C, Sagi, I. | | 登録日 | 2012-12-22 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Unraveling hidden regulatory sites in structurally homologous metalloproteases
J.Mol.Biol., 425, 2013
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3SHI
 | | Crystal structure of human MMP1 catalytic domain at 2.2 A resolution | | 分子名称: | CALCIUM ION, Interstitial collagenase, ZINC ION | | 著者 | Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J. | | 登録日 | 2011-06-16 | | 公開日 | 2011-09-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The catalytic domain of MMP-1 studied through tagged lanthanides.
Febs Lett., 586, 2012
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8S6F
 | | A Structural Investigation of the Interaction between a GC-376-Based Peptidomimetic PROTAC and Its Precursor with the Viral Main Protease of Coxsackievirus B3 | | 分子名称: | Protease 3C, methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate | | 著者 | De Santis, A, Grifagni, D, Orsetti, A, Lenci, E, Rosato, A, D'Onofrio, M, Trabocchi, A, Ciofi-Baffoni, S, Cantini, F, Calderone, V. | | 登録日 | 2024-02-27 | | 公開日 | 2024-12-04 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | A Structural Investigation of the Interaction between a GC-376-Based Peptidomimetic PROTAC and Its Precursor with the Viral Main Protease of Coxsackievirus B3.
Biomolecules, 14, 2024
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3U2L
 | | Crystal structure of human ALR mutant C142S. | | 分子名称: | FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Banci, L, Bertini, I, Calderone, V, Cefaro, C, Ciofi-Baffoni, S, Gallo, A. | | 登録日 | 2011-10-04 | | 公開日 | 2012-06-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | An electron-transfer path through an extended disulfide relay system: the case of the redox protein ALR.
J.Am.Chem.Soc., 134, 2012
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3U2M
 | | Crystal structure of human ALR mutant C142/145S | | 分子名称: | FAD-linked sulfhydryl oxidase ALR, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Banci, L, Bertini, I, Calderone, V, Cefaro, C, Ciofi-Baffoni, S, Gallo, A. | | 登録日 | 2011-10-04 | | 公開日 | 2012-06-06 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | An electron-transfer path through an extended disulfide relay system: the case of the redox protein ALR.
J.Am.Chem.Soc., 134, 2012
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8B0T
 | | SARS-CoV-2 Main Protease adduct with Au(PEt3)Br | | 分子名称: | 3C-like proteinase nsp5, GOLD ION | | 著者 | Massai, L, Grifagni, D, De Santis, A, Geri, A, Calderone, V, Cantini, F, Banci, L, Messori, L. | | 登録日 | 2022-09-08 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Gold-Based Metal Drugs as Inhibitors of Coronavirus Proteins: The Inhibition of SARS-CoV-2 Main Protease by Auranofin and Its Analogs.
Biomolecules, 12, 2022
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