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PDB: 87 件

5HYD
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BU of 5hyd by Molmil
Crystal structure of calcium-free human S100Z
分子名称: Protein S100-Z
著者Calderone, V, Fragai, M, Luchinat, C, Gallo, G.
登録日2016-02-01
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Solving the crystal structure of human calcium-free S100Z: the siege and conquer of one of the last S100 family strongholds.
J. Biol. Inorg. Chem., 22, 2017
5LAB
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BU of 5lab by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH
分子名称: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Ravera, E, Calderone, V, Luchinat, C.
登録日2016-06-14
公開日2016-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献First-principles calculation of pseudo-contact shifts in a paramagnetic metalloprotein
To Be Published
6YEL
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BU of 6yel by Molmil
Stromal interaction molecule 1 coiled-coil 1 fragment
分子名称: Stromal interaction molecule 1
著者Rathner, P, Cerofolini, L, Ravera, E, Bechmann, M, Grabmayr, H, Fahrner, M, Fragai, M, Romanin, C, Luchinat, C, Mueller, N.
登録日2020-03-25
公開日2020-09-02
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation.
Nat.Chem.Biol., 17, 2021
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
7A70
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BU of 7a70 by Molmil
HEW lysozyme in complex with Ti(OH)4
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
著者Calderone, V, Gigli, L, Ravera, E, Luchinat, C.
登録日2020-08-27
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme.
Biomolecules, 11, 2020
4IJO
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BU of 4ijo by Molmil
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
8AWW
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BU of 8aww by Molmil
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
3RTS
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BU of 3rts by Molmil
Human MMP-12 catalytic domain in complex with*N*-Hydroxy-2-(2-phenylethylsulfonamido)acetamide
分子名称: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-[(2-phenylethyl)sulfonyl]glycinamide, ...
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C.
登録日2011-05-04
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Contribution of ligand free energy of solvation to design new potent MMPs inhibitors.
J.Med.Chem., 2012
3RTT
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BU of 3rtt by Molmil
Human MMP-12 catalytic domain in complex with*(R)-N*-Hydroxy-1-(phenethylsulfonyl)pyrrolidine-2-carboxamide
分子名称: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-1-[(2-phenylethyl)sulfonyl]-D-prolinamide, ...
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C.
登録日2011-05-04
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Contribution of ligand free energy of solvation to design new potent MMPs inhibitors.
J.Med.Chem., 2012
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
8OGD
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BU of 8ogd by Molmil
Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ...
著者Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
登録日2023-03-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
8OGE
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BU of 8oge by Molmil
Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ...
著者Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
登録日2023-03-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
3NX7
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BU of 3nx7 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-Hydroxy-2-(N-(2-hydroxyethyl)4-methoxyphenylsulfonamido)acetamide
分子名称: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-(2-hydroxyethyl)-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide, ...
著者Bertini, I, Calderone, V, Fragai, M, Giachetti, A, Loconte, M, Luchinat, C, Maletta, M, Nativi, C, Yeo, K.J.
登録日2010-07-13
公開日2010-07-28
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
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
3SHI
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BU of 3shi by Molmil
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
1Y93
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BU of 1y93 by Molmil
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
6EOK
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BU of 6eok by Molmil
Crystal structure of E. coli L-asparaginase II
分子名称: L-asparaginase 2, ZINC ION
著者Cerofolini, L, Giuntini, S, Carlon, A, Ravera, E, Calderone, V, Fragai, M, Parigi, G, Luchinat, C.
登録日2017-10-09
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of PEGylated Asparaginase: New Opportunities from NMR Analysis of Large PEGylated Therapeutics.
Chemistry, 25, 2019
6TI5
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BU of 6ti5 by Molmil
A New Structural Model of Abeta(1-40) Fibrils
分子名称: Amyloid-beta precursor protein
著者Bertini, I, Gonnelli, L, Luchinat, C, Mao, J, Nesi, A.
登録日2019-11-21
公開日2020-07-22
最終更新日2024-06-19
実験手法SOLID-STATE NMR
主引用文献Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
6H6S
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BU of 6h6s by Molmil
Sad phasing on nickel-substituted human carbonic anhydrase II
分子名称: Carbonic anhydrase 2, NICKEL (II) ION
著者Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S.
登録日2018-07-30
公開日2019-01-09
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?
J. Biol. Inorg. Chem., 24, 2019
1FMY
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BU of 1fmy by Molmil
HIGH RESOLUTION SOLUTION STRUCTURE OF THE PROTEIN PART OF CU7 METALLOTHIONEIN
分子名称: METALLOTHIONEIN
著者Bertini, I, Hartmann, H.J, Klein, T, Liu, G, Luchinat, C, Weser, U.
登録日2000-08-18
公開日2000-09-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High resolution solution structure of the protein part of Cu7 metallothionein.
Eur.J.Biochem., 267, 2000
1Z3J
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BU of 1z3j by Molmil
Solution Structure of MMP12 in the presence of N-isobutyl-N-4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)
分子名称: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P.
登録日2005-03-13
公開日2005-04-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1NOE
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BU of 1noe by Molmil
NMR STUDY OF REDUCED HIGH POTENTIAL IRON SULFUR PROTEIN
分子名称: HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER
著者Bentrop, D, Bertini, I, Capozzi, F, Dikiy, A, Eltis, L, Luchinat, C.
登録日1996-01-07
公開日1996-06-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of the reduced C77S mutant of the Chromatium vinosum high-potential iron-sulfur protein through nuclear magnetic resonance: comparison with the solution structure of the wild-type protein.
Biochemistry, 35, 1996
1YCM
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BU of 1ycm by Molmil
Solution Structure of matrix metalloproteinase 12 (MMP12) in the presence of N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)
分子名称: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P, Structural Proteomics in Europe (SPINE)
登録日2004-12-22
公開日2005-04-19
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2B1U
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BU of 2b1u by Molmil
Solution structure of Calmodulin-like Skin Protein C terminal domain
分子名称: Calmodulin-like protein 5
著者Babini, E, Bertini, I, Capozzi, F, Chirivino, E, Luchinat, C, Structural Proteomics in Europe (SPINE)
登録日2005-09-16
公開日2006-05-30
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献A Structural and Dynamic Characterization of the EF-Hand Protein CLSP.
Structure, 14, 2006
1TTX
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BU of 1ttx by Molmil
Solution Structure of human beta parvalbumin (oncomodulin) refined with a paramagnetism based strategy
分子名称: CALCIUM ION, Oncomodulin
著者Babini, E, Bertini, I, Capozzi, F, Del Bianco, C, Hollender, D, Kiss, T, Luchinat, C, Quattrone, A, Structural Proteomics in Europe (SPINE)
登録日2004-06-23
公開日2005-01-18
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution Structure of Human beta-Parvalbumin and Structural Comparison with Its Paralog alpha-Parvalbumin and with Their Rat Orthologs(,)
Biochemistry, 43, 2004

 

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