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PDB: 88 件

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
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
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
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
6TI6
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BU of 6ti6 by Molmil
Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils
分子名称: Amyloid-beta precursor protein
著者Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C.
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
7A70
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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2024-10-16
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
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
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
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2024-10-30
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
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
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
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
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
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
6TI7
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BU of 6ti7 by Molmil
Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils
分子名称: Amyloid-beta precursor protein
著者Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C.
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
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
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
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
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
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
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
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
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
2JXY
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BU of 2jxy by Molmil
Solution structure of the hemopexin-like domain of MMP12
分子名称: CALCIUM ION, Macrophage metalloelastase
著者Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M.
登録日2007-12-01
公開日2008-05-27
最終更新日2022-03-16
実験手法SOLUTION NMR
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

 

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