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PDB: 127 件

3F16
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Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
分子名称: (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F15
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Crystal structure of the catalytic domain of human mmp12 complexed with the inhibitor (S)-N-(2,3-dihydroxypropyl)-4-methoxy-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F18
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Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
著者Calderone, V.
登録日2008-10-27
公開日2008-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
1NZE
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BU of 1nze by Molmil
Crystal structure of PsbQ polypeptide of photosystem II from higher plants
分子名称: Oxygen-evolving enhancer protein 3, ZINC ION
著者Calderone, V, Trabucco, M, Vujicic, A, Battistutta, R, Giacometti, G.M, Andreucci, F, Barbato, R, Zanotti, G.
登録日2003-02-17
公開日2003-08-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of the PsbQ protein of photosystem II from higher plants
Embo Rep., 4, 2003
3NXA
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X-ray structure of the apo form of human S100A16
分子名称: Protein S100-A16
著者Calderone, V.
登録日2010-07-13
公開日2010-11-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
1N8N
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Crystal structure of the Au3+ complex of AphA class B acid phosphatase/phosphotransferase from E. coli at 1.69 A resolution
分子名称: Class B acid phosphatase, GOLD 3+ ION
著者Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
登録日2002-11-21
公開日2004-02-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
1N9K
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Crystal structure of the bromide adduct of AphA class B acid phosphatase/phosphotransferase from E. coli at 2.2 A resolution
分子名称: BROMIDE ION, Class B acid phosphatase, MAGNESIUM ION
著者Calderone, V, Forleo, C, Benvenuti, M, Rossolini, G.M, Thaller, M.C, Mangani, S.
登録日2002-11-25
公開日2004-02-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The first structure of a bacterial class B Acid phosphatase reveals further structural heterogeneity among phosphatases of the haloacid dehalogenase fold.
J.Mol.Biol., 335, 2004
3ECW
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Crystal structure of the ALS-related pathological mutant T54R of human apo Cu,Zn Superoxide Dismutase (SOD1)
分子名称: Superoxide dismutase [Cu-Zn]
著者Calderone, V.
登録日2008-09-02
公開日2009-05-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and dynamic aspects related to oligomerization of apo SOD1 and its mutants.
Proc.Natl.Acad.Sci.USA, 106, 2009
3ECU
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Crystal structure of human apo Cu,Zn Superoxide Dismutase (SOD1)
分子名称: Superoxide dismutase [Cu-Zn]
著者Calderone, V.
登録日2008-09-02
公開日2009-05-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and dynamic aspects related to oligomerization of apo SOD1 and its mutants.
Proc.Natl.Acad.Sci.USA, 106, 2009
3ECV
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Crystal structure of the ALS-related pathological mutant I113T of human apo Cu,Zn Superoxide Dismutase (SOD1)
分子名称: Superoxide dismutase [Cu-Zn]
著者Calderone, V.
登録日2008-09-02
公開日2009-05-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and dynamic aspects related to oligomerization of apo SOD1 and its mutants.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HBR
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BU of 3hbr by Molmil
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
2GMN
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BU of 2gmn by Molmil
Crystal structure of BJP-1, a subclass B3 metallo-beta-lactamase of Bradyrhizobium japonicum
分子名称: Metallo-beta-lactamase, ZINC ION
著者Calderone, V, Benvenuti, M, Stoczko, M, Docquier, J.D, Rossolini, G.M, Mangani, S.
登録日2006-04-07
公開日2007-04-24
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Postgenomic scan of metallo-beta-lactamase homologues in rhizobacteria: identification and characterization of BJP-1, a subclass B3 ortholog from Bradyrhizobium japonicum.
Antimicrob.Agents Chemother., 50, 2006
7QZP
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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
2G1A
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Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase
分子名称: Class B acid phosphatase, MAGNESIUM ION, {[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID
著者Leone, R, Calderone, V, Cappelletti, E, Benvenuti, M, Mangani, S.
登録日2006-02-14
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the complex between Apha class B acid phosphatase/phosphotransferase
To be published
5WCM
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BU of 5wcm by Molmil
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2023-10-04
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
3BA0
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BU of 3ba0 by Molmil
Crystal structure of full-length human MMP-12
分子名称: ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ...
著者Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M, Myonas, E, Svergun, D.I.
登録日2007-11-07
公開日2008-07-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12.
J.Am.Chem.Soc., 130, 2008
4DPE
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BU of 4dpe by Molmil
Structure of MMP3 complexed with a platinum-based inhibitor.
分子名称: CALCIUM ION, CHLORIDE ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D.
登録日2012-02-13
公開日2013-02-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure of matrix metalloproteinase-3 with a platinum-based inhibitor.
Chem.Commun.(Camb.), 49, 2013
6Y91
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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
8P6U
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Human carbonic anhydrase II containing 5-fluorotryptophanes
分子名称: BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
著者Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
登録日2023-05-30
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
8Q0C
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Human carbonic anhydrase II containing 3-fluorotyrosine
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
著者Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
登録日2023-07-28
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
8PHL
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Human carbonic anhydrase II containing 4-fluorophenylalanine
分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, ZINC ION
著者Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L.
登録日2023-06-20
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
1Y93
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Crystal structure of the catalytic domain of human MMP12 complexed with acetohydroxamic acid at atomic resolution
分子名称: ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ...
著者Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.-M, Luchinat, C, Mangani, S, Terni, B, Turano, P.
登録日2004-12-14
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.03 Å)
主引用文献Conformational variability of matrix metalloproteinases: Beyond a single 3D structure
Proc.Natl.Acad.Sci.Usa, 102, 2005
4G9L
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Structure of MMP3 complexed with NNGH inhibitor.
分子名称: CALCIUM ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, Stromelysin-1, ...
著者Belviso, B.D, Arnesano, F, Calderone, V, Caliandro, R, Natile, G, Siliqi, D.
登録日2012-07-24
公開日2013-05-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure of matrix metalloproteinase-3 with a platinum-based inhibitor.
Chem.Commun.(Camb.), 49, 2013
8B0T
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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
8B0S
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SARS-COV-2 Main Protease adduct with Au(NHC)Cl
分子名称: 3C-like proteinase nsp5, GOLD ION
著者Massai, L, Grifagni, D, Desantis, A, Geri, A, Calderone, V, Cantini, F, Messori, L, Banci, L.
登録日2022-09-08
公開日2022-12-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.42 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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