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PDB: 128 件
4GUY
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BU of 4guy by Molmil
Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide
分子名称: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ...
著者Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M.
登録日2012-08-30
公開日2012-09-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors.
To be Published
1LPJ
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BU of 1lpj by Molmil
Human cRBP IV
分子名称: Retinol-binding protein IV, cellular
著者Calderone, V, Zanotti, G, Berni, R, Folli, C.
登録日2002-05-08
公開日2003-01-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand binding and structural analysis of a human putative cellular retinol-binding protein
J.Biol.Chem., 277, 2002
3LKA
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BU of 3lka by Molmil
Catalytic domain of human MMP-12 complexed with hydroxamic acid and paramethoxy-sulfonyl amide
分子名称: 4-methoxybenzenesulfonamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
著者Calderone, V.
登録日2010-01-27
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Entropic contribution to the linking coefficient in fragment based drug design: a case study.
J.Med.Chem., 53, 2010
1RJU
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BU of 1rju by Molmil
Crystal structure of a truncated form of yeast copper thionein
分子名称: COPPER (I) ION, Metallothionein
著者Calderone, V, Dolderer, B, Hartmann, H.J, Echner, H, Luchinat, C, Del Bianco, C, Mangani, S, Weser, U.
登録日2003-11-20
公開日2004-12-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献The Crystal Structure of Yeast Copper Thionein: the solution of a long lasting Enigma.
Proc.Natl.Acad.Sci.USA, 102, 2005
1KQX
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BU of 1kqx by Molmil
Crystal structure of apo-CRBP from zebrafish
分子名称: Cellular retinol-binding protein
著者Calderone, V, Folli, C, Marchesani, A, Berni, R, Zanotti, G.
登録日2002-01-08
公開日2002-08-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification and structural analysis of a zebrafish apo and holo cellular retinol-binding protein.
J.Mol.Biol., 321, 2002
1KQW
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BU of 1kqw by Molmil
Crystal structure of holo-CRBP from zebrafish
分子名称: Cellular retinol-binding protein, RETINOL
著者Calderone, V, Folli, C, Marchesani, A, Berni, R, Zanotti, G.
登録日2002-01-08
公開日2002-08-28
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Identification and structural analysis of a zebrafish apo and holo cellular retinol-binding protein.
J.Mol.Biol., 321, 2002
2OXZ
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BU of 2oxz by Molmil
Human MMP-12 in complex with two peptides PQG and IAG
分子名称: CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ...
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 (1.9 Å)
主引用文献Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2OXW
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BU of 2oxw by Molmil
Human MMP-12 complexed with the peptide IAG
分子名称: CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ...
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 (1.15 Å)
主引用文献Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2OXU
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BU of 2oxu by Molmil
Uninhibited form of human MMP-12
分子名称: CALCIUM ION, Macrophage metalloelastase, 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 (1.24 Å)
主引用文献Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2AEO
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BU of 2aeo by Molmil
Crystal structure of cisplatinated bovine Cu,Zn superoxide dismutase
分子名称: COPPER (II) ION, Cisplatin, Superoxide dismutase [Cu-Zn], ...
著者Calderone, V, Casini, A, Mangani, S, Messori, L, Orioli, P.L.
登録日2005-07-23
公開日2006-05-02
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural investigation of cisplatin-protein interactions: selective platination of His19 in a cuprozinc superoxide dismutase.
Angew. Chem. Int. Ed. Engl., 45, 2006
3NXA
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BU of 3nxa by Molmil
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
3LK8
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BU of 3lk8 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor paramethoxy-sulfonyl-glycine hydroxamate
分子名称: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide, ...
著者Calderone, V.
登録日2010-01-27
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases
J.Am.Chem.Soc., 129, 2007
1Q3A
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BU of 1q3a by Molmil
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
1NAQ
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BU of 1naq by Molmil
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
2OY2
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BU of 2oy2 by Molmil
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
2OY4
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BU of 2oy4 by Molmil
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
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
3EHY
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BU of 3ehy by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(4-methoxyphenylsulfonamido)propanoic acid
分子名称: CALCIUM ION, Macrophage metalloelastase, N-[(4-methoxyphenyl)sulfonyl]-D-alanine, ...
著者Calderone, V.
登録日2008-09-15
公開日2009-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biotin-tagged probes for MMP expression and activation: design, synthesis, and binding properties
Bioconjug.Chem., 20, 2009
3F19
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BU of 3f19 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
分子名称: 2-[(4-fluorophenyl)sulfonylamino]-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
3F16
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BU of 3f16 by Molmil
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
3F17
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BU of 3f17 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)biphenyl-4-sulfonamide
分子名称: CALCIUM ION, Macrophage metalloelastase, N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide, ...
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 (1.1 Å)
主引用文献Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
1KT6
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BU of 1kt6 by Molmil
Crystal structure of bovine holo-RBP at pH 9.0
分子名称: RETINOL, plasma retinol-binding protein
著者Calderone, V, Berni, R, Zanotti, G.
登録日2002-01-15
公開日2003-06-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
1KT7
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BU of 1kt7 by Molmil
Crystal structure of bovine holo-RBP at pH 7.0
分子名称: Plasma retinol-binding protein, RETINOL
著者Calderone, V, Berni, R, Zanotti, G.
登録日2002-01-15
公開日2003-06-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.274 Å)
主引用文献High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
1KT3
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BU of 1kt3 by Molmil
Crystal structure of bovine holo-RBP at pH 2.0
分子名称: Plasma retinol-binding protein, RETINOL
著者Calderone, V, Berni, R, Zanotti, G.
登録日2002-01-15
公開日2003-06-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献High-resolution Structures of Retinol-binding Protein in Complex with Retinol: pH-induced Protein Structural Changes in the Crystal State
J.Mol.Biol., 329, 2003
3F15
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BU of 3f15 by Molmil
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

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