4KPW
 
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6SP7
 | | Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with Taniborbactam (VNRX-5133) | | 分子名称: | (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2, ... | | 著者 | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | 登録日 | 2019-08-31 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
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6SP6
 | | Ultra-high Resolution Crystal Structure of the CTX-M-15 Extended-Spectrum beta-Lactamase in Complex with Taniborbactam (VNRX-5133) | | 分子名称: | (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Docquier, J.D, Pozzi, C, De Luca, F, Benvenuti, M, Mangani, S. | | 登録日 | 2019-08-31 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Discovery of Taniborbactam (VNRX-5133): A Broad-Spectrum Serine- and Metallo-beta-lactamase Inhibitor for Carbapenem-Resistant Bacterial Infections.
J.Med.Chem., 63, 2020
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1BV3
 | | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA | | 分子名称: | 4-(HYDROXYMERCURY)BENZOIC ACID, PROTEIN (CARBONIC ANHYDRASE II), UREA, ... | | 著者 | Briganti, F, Mangani, S, Scozzafava, A, Vernaglione, G, Supuran, C.T. | | 登録日 | 1998-09-22 | | 公開日 | 1999-09-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction?
J.Biol.Inorg.Chem., 4, 1999
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1DSW
 | | THE SOLUTION STRUCTURE OF A MONOMERIC, REDUCED FORM OF HUMAN COPPER, ZINC SUPEROXIDE DISMUTASE BEARING THE SAME CHARGE AS THE NATIVE PROTEIN | | 分子名称: | COPPER (II) ION, SUPEROXIDE DISMUTASE (CU-ZN), ZINC ION | | 著者 | Banci, L, Bertini, I, Del Conte, R, Fadin, R, Mangani, S, Viezzoli, M.S. | | 登録日 | 2000-01-10 | | 公開日 | 2000-03-22 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of a monomeric, reduced form of human copper,zinc superoxide dismutase bearing the same charge as the native protein.
J.Biol.Inorg.Chem., 4, 1999
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1AVN
 | | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR | | 分子名称: | AZIDE ION, CARBONIC ANHYDRASE II, HISTAMINE, ... | | 著者 | Briganti, F, Mangani, S, Orioli, P, Scozzafava, A, Vernaglione, G, Supuran, C.T. | | 登録日 | 1997-09-17 | | 公開日 | 1997-12-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine.
Biochemistry, 36, 1997
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1F2W
 | | THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION | | 分子名称: | 4-(HYDROXYMERCURY)BENZOIC ACID, CARBONIC ANHYDRASE II, CYANAMIDE, ... | | 著者 | Guerri, A, Briganti, F, Scozzafava, A, Supuran, C.T, Mangani, S. | | 登録日 | 2000-05-30 | | 公開日 | 2000-06-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Mechanism of cyanamide hydration catalyzed by carbonic anhydrase II suggested by cryogenic X-ray diffraction.
Biochemistry, 39, 2000
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6Z2Z
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6Z2U
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1OS9
 | | Binary enzyme-product complexes of human MMP12 | | 分子名称: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | | 登録日 | 2003-03-19 | | 公開日 | 2003-08-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
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6ZRG
 | | Crystal structure of OXA-10loop48 in complex with hydrolyzed doripenem | | 分子名称: | (4R,5S)-3-{[(3S,5S)-5-({[amino(dihydroxy)methyl]amino}methyl)pyrrolidin-3-yl]sulfanyl}-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Docquier, J.D, Mangani, S. | | 登録日 | 2020-07-13 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
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6ZRI
 | | Crystal structure of OXA-10loop24 in complex with meropenem | | 分子名称: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | | 著者 | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D. | | 登録日 | 2020-07-13 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
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6ZRJ
 | | Crystal structure of class D Beta-lactamase OXA-48 in complex with ertapenem | | 分子名称: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Docquier, J.D, Mangani, S. | | 登録日 | 2020-07-13 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
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6ZRP
 | | Crystal structure of class D Beta-lactamase OXA-48 in complex with meropenem | | 分子名称: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Tassone, G, De Luca, F, Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S, Doquier, J.D. | | 登録日 | 2020-07-14 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
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6ZRH
 | | Crystal structure of OXA-10loop24 in complex with ertapenem | | 分子名称: | (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase | | 著者 | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D. | | 登録日 | 2020-07-13 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
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6ZSX
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6ZSW
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6ZW2
 | | Crystal structure of OXA-10loop48 in complex with hydrolyzed meropenem | | 分子名称: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ... | | 著者 | Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D. | | 登録日 | 2020-07-27 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
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1NM4
 | | Solution structure of Cu(I)-CopC from Pseudomonas syringae | | 分子名称: | Copper resistance protein C | | 著者 | Arnesano, F, Banci, L, Bertini, I, Mangani, S, Thompsett, A.R, Structural Proteomics in Europe (SPINE) | | 登録日 | 2003-01-09 | | 公開日 | 2003-04-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A redox switch in CopC: An intriguing copper trafficking protein that binds copper(I) and copper(II)
at different sites
Proc.Natl.Acad.Sci.USA, 100, 2003
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1OS2
 | | Ternary enzyme-product-inhibitor complexes of human MMP12 | | 分子名称: | ACETATE ION, ACETOHYDROXAMIC ACID, AZIDE ION, ... | | 著者 | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | | 登録日 | 2003-03-18 | | 公開日 | 2003-08-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
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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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6TSX
 | | Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 30 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 | 2019-12-21 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.021 Å) | | 主引用文献 | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin.
Chemistry, 26, 2020
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6TS0
 | | Crystal structure of human L ferritin (HuLf) triple variant E60A-E61A-E64A 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 | 2019-12-19 | | 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
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6TS1
 | | 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
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6TSS
 | | 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 | 2024-01-24 | | 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
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