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PDB: 11 results

5LAB
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BU of 5lab by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Ravera, E, Calderone, V, Luchinat, C.
Deposit date:2016-06-14
Release date:2016-08-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:First-principles calculation of pseudo-contact shifts in a paramagnetic metalloprotein
To Be Published
6EOK
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BU of 6eok by Molmil
Crystal structure of E. coli L-asparaginase II
Descriptor: L-asparaginase 2, ZINC ION
Authors:Cerofolini, L, Giuntini, S, Carlon, A, Ravera, E, Calderone, V, Fragai, M, Parigi, G, Luchinat, C.
Deposit date:2017-10-09
Release date:2018-10-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Characterization of PEGylated Asparaginase: New Opportunities from NMR Analysis of Large PEGylated Therapeutics.
Chemistry, 25, 2019
6TI6
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BU of 6ti6 by Molmil
Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils
Descriptor: Amyloid-beta precursor protein
Authors: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.
Deposit date:2019-11-21
Release date:2020-07-22
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
8AWW
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BU of 8aww by Molmil
Transthyretin conjugated with a tafamidis derivative
Descriptor: Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
Authors: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.
Deposit date:2022-08-30
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates.
Angew.Chem.Int.Ed.Engl., 62, 2023
7A70
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BU of 7a70 by Molmil
HEW lysozyme in complex with Ti(OH)4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
Authors:Calderone, V, Gigli, L, Ravera, E, Luchinat, C.
Deposit date:2020-08-27
Release date:2021-01-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
6H6S
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BU of 6h6s by Molmil
Sad phasing on nickel-substituted human carbonic anhydrase II
Descriptor: Carbonic anhydrase 2, NICKEL (II) ION
Authors:Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S.
Deposit date:2018-07-30
Release date:2019-01-09
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?
J. Biol. Inorg. Chem., 24, 2019
6TI7
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BU of 6ti7 by Molmil
Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils
Descriptor: Amyloid-beta precursor protein
Authors: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.
Deposit date:2019-11-21
Release date:2020-07-22
Last modified:2024-06-19
Method:SOLID-STATE NMR
Cite:Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
6YEL
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BU of 6yel by Molmil
Stromal interaction molecule 1 coiled-coil 1 fragment
Descriptor: Stromal interaction molecule 1
Authors:Rathner, P, Cerofolini, L, Ravera, E, Bechmann, M, Grabmayr, H, Fahrner, M, Fragai, M, Romanin, C, Luchinat, C, Mueller, N.
Deposit date:2020-03-25
Release date:2020-09-02
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation.
Nat.Chem.Biol., 17, 2021
8PHM
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BU of 8phm by Molmil
Oxalate-bound cobalt(II) human carbonic anhydrase II
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ...
Authors:Gigli, L, Malanho Silva, J, Cerofolini, L, Macedo, A.L, Geraldes, C.F.G.C, Suturina, E.A, Calderone, V, Fragai, M, Parigi, G, Ravera, E, Luchinat, C.
Deposit date:2023-06-20
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Machine Learning-Enhanced Quantum Chemistry-Assisted Refinement of the Active Site Structure of Metalloproteins.
Inorg.Chem., 63, 2024
8OGD
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BU of 8ogd by Molmil
Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ...
Authors:Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
Deposit date:2023-03-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ...
Authors:Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
Deposit date:2023-03-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023

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