5FTQ
 
 | | Crystal structure of the ALK kinase domain in complex with Cmpd 17 | | Descriptor: | ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE | | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | | Deposit date: | 2016-01-14 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
|
|
2K61
 | | Solution structure of CaM complexed to DAPk peptide | | Descriptor: | CALCIUM ION, Calmodulin, TERBIUM(III) ION | | Authors: | Bertini, I, Luchinat, C, Parigi, G, Yuan, J. | | Deposit date: | 2008-07-02 | | Release date: | 2009-05-05 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples.
J.Am.Chem.Soc., 131, 2009
|
|
1KSM
 | | AVERAGE NMR SOLUTION STRUCTURE OF CA LN CALBINDIN D9K | | Descriptor: | LANTHANUM (III) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN | | Authors: | Bertini, I, Donaire, A, Luchinat, C, Piccioli, M, Poggi, L, Parigi, G, Jimenez, B. | | Deposit date: | 2002-01-14 | | Release date: | 2002-01-23 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.
J.Biomol.NMR, 21, 2001
|
|
2KAX
 | | Solution structure and dynamics of S100A5 in the apo and Ca2+ -bound states | | Descriptor: | Protein S100-A5 | | Authors: | Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | | Deposit date: | 2008-11-17 | | Release date: | 2009-06-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
|
|
5FTO
 | | Crystal structure of the ALK kinase domain in complex with Entrectinib | | Descriptor: | ALK TYROSINE KINASE RECEPTOR, Entrectinib | | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | | Deposit date: | 2016-01-14 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
|
|
2JXY
 | | Solution structure of the hemopexin-like domain of MMP12 | | Descriptor: | CALCIUM ION, Macrophage metalloelastase | | Authors: | Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M. | | Deposit date: | 2007-12-01 | | Release date: | 2008-05-27 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12
J.Am.Chem.Soc., 130, 2008
|
|
2K0J
 | | Solution structure of CaM complexed to DRP1p | | Descriptor: | CALCIUM ION, LANTHANUM (III) ION, calmodulin | | Authors: | Bertini, I, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2008-02-04 | | Release date: | 2009-03-10 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Accurate solution structures of proteins from X-ray data and a minimal set of NMR data: calmodulin-peptide complexes as examples.
J.Am.Chem.Soc., 131, 2009
|
|
2K9C
 | | Paramagnetic shifts in solid-state NMR of Proteins to elicit structural information | | Descriptor: | COBALT (II) ION, Macrophage metalloelastase | | Authors: | Balayssac, S, Bertini, I, Bhaumik, A, Lelli, M, Luchinat, C. | | Deposit date: | 2008-10-08 | | Release date: | 2008-11-18 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Paramagnetic shifts in solid-state NMR of proteins to elicit structural information
Proc.Natl.Acad.Sci.Usa, 105, 2008
|
|
5FOJ
 | | Cryo electron microscopy structure of Grapevine Fanleaf Virus complex with Nanobody | | Descriptor: | Nanobody, RNA2 polyprotein | | Authors: | Orlov, I, Hemmer, C, Ackerer, L, Lorber, B, Ghannam, A, Poignavent, V, Hleibieh, K, Sauter, C, Schmitt-Keichinger, C, Belval, L, Hily, J.M, Marmonier, A, Komar, V, Gersch, S, Schellenberger, P, Bron, P, Vigne, E, Muyldermans, S, Lemaire, O, Demangeat, G, Ritzenthaler, C, Klaholz, B.P. | | Deposit date: | 2015-11-22 | | Release date: | 2016-01-20 | | Last modified: | 2021-08-11 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of nanobody recognition of grapevine fanleaf virus and of virus resistance loss.
Proc.Natl.Acad.Sci.USA, 2020
|
|
2KAY
 | | Solution structure and dynamics of S100A5 in the Ca2+ -bound states | | Descriptor: | CALCIUM ION, Protein S100-A5 | | Authors: | Bertini, I, Das Gupta, S, Hu, X, Karavelas, T, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE), Structural Proteomics in Europe 2 (SPINE-2) | | Deposit date: | 2008-11-17 | | Release date: | 2009-06-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
|
|
4GUY
 | | Human MMP12 catalytic domain in complex with*N*-Hydroxy-2-(2-(4-methoxyphenyl)ethylsulfonamido)acetamide | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide, ... | | Authors: | Calderone, V, Fragai, M, Luchinat, C, Massaro, A, Mordini, A, Mori, M. | | Deposit date: | 2012-08-30 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Contribution of free energy of solvation to ligand affinity in new potent MMPs inhibitors.
To be Published
|
|
2KRJ
 | | High-Resolution Solid-State NMR Structure of a 17.6 kDa Protein | | Descriptor: | COBALT (II) ION, Macrophage metalloelastase | | Authors: | Bertini, I, Bhaumik, A, De Pa pe, G, Griffin, R.G, Lelli, M, Lewandowski, J.R, Luchinat, C. | | Deposit date: | 2009-12-18 | | Release date: | 2010-02-23 | | Last modified: | 2024-05-01 | | Method: | SOLID-STATE NMR | | Cite: | High-resolution solid-state NMR structure of a 17.6 kDa protein.
J.Am.Chem.Soc., 132, 2010
|
|
2HY9
 | | Human telomere DNA quadruplex structure in K+ solution hybrid-1 form | | Descriptor: | DNA (26-MER) | | Authors: | Dai, J, Punchihewa, C, Jones, R.A, Hurley, L, Yang, D. | | Deposit date: | 2006-08-04 | | Release date: | 2007-04-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of the intramolecular human telomeric G-quadruplex in potassium solution: a novel adenine triple formation.
Nucleic Acids Res., 35, 2007
|
|
2L51
 | | Solution structure of calcium bound S100A16 | | Descriptor: | CALCIUM ION, Protein S100-A16 | | Authors: | Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G. | | Deposit date: | 2010-10-22 | | Release date: | 2010-11-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
|
|
2K4G
 | | Solution Structure of a Peptide Nucleic Acid Duplex, 10 structures | | Descriptor: | METHYLAMINE, PNA (N'-(*(GPN)*(GPN)*(CPN)*(APN)*(TPN)*(GPN)*(CPN)*(CPN))-C') | | Authors: | He, W, Hatcher, E, Balaeff, A, Beratan, D, Gil, R, Madrid, M, Achim, C. | | Deposit date: | 2008-06-07 | | Release date: | 2008-09-23 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a peptide nucleic acid duplex from NMR data: features and limitations.
J.Am.Chem.Soc., 130, 2008
|
|
2LFU
 | | The structure of a N. meningitides protein targeted for vaccine development | | Descriptor: | Gna2132 | | Authors: | Esposito, V, Musi, V, De Chiara, C, Kelly, G, Veggi, D, Pizza, M, Pastore, A. | | Deposit date: | 2011-07-15 | | Release date: | 2011-10-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the C-terminal Domain of Neisseria Heparin Binding Antigen (NHBA), One of the Main Antigens of a Novel Vaccine against Neisseria meningitidis.
J.Biol.Chem., 286, 2011
|
|
2L50
 | | Solution structure of apo S100A16 | | Descriptor: | Protein S100-A16 | | Authors: | Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G. | | Deposit date: | 2010-10-22 | | Release date: | 2010-11-03 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
|
|
2LLP
 | | Solution structure of a THP type 1 alpha 1 collagen fragment (772-786) | | Descriptor: | Collagen alpha-1(I) chain | | Authors: | Bertini, I, Fragai, M, Luchinat, C, Melikian, M, Toccafondi, M, Lauer, J.L, Fields, G.B, Structural Proteomics in Europe 2 (SPINE-2) | | Deposit date: | 2011-11-15 | | Release date: | 2012-05-30 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural basis for matrix metalloproteinase 1-catalyzed collagenolysis.
J.Am.Chem.Soc., 134, 2012
|
|
6SCZ
 | | Mycobacterium tuberculosis alanine racemase inhibited by DCS | | Descriptor: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | de Chiara, C, Purkiss, A, Prosser, G, Homsak, M, de Carvalho, L.P.S. | | Deposit date: | 2019-07-26 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | D-Cycloserine destruction by alanine racemase and the limit of irreversible inhibition.
Nat.Chem.Biol., 16, 2020
|
|
1K0T
 | | NMR SOLUTION STRUCTURE OF UNBOUND, OXIDIZED PHOTOSYSTEM I SUBUNIT PSAC, CONTAINING [4FE-4S] CLUSTERS FA AND FB | | Descriptor: | IRON/SULFUR CLUSTER, PSAC SUBUNIT OF PHOTOSYSTEM I | | Authors: | Antonkine, M.L, Liu, G, Bentrop, D, Bryant, D.A, Bertini, I, Luchinat, C, Golbeck, J.H, Stehlik, D. | | Deposit date: | 2001-09-20 | | Release date: | 2002-06-05 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the unbound, oxidized Photosystem I subunit PsaC, containing [4Fe-4S] clusters F(A) and F(B): a conformational change occurs upon binding to photosystem I.
J.Biol.Inorg.Chem., 7, 2002
|
|
1KQV
 | | Family of NMR Solution Structures of Ca Ln Calbindin D9K | | Descriptor: | LANTHANUM (III) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN | | Authors: | Bertini, I, Donaire, A, Jimenez, B, Luchinat, C, Parigi, G, Piccioli, M, Poggi, L. | | Deposit date: | 2002-01-08 | | Release date: | 2002-01-16 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.
J.Biomol.NMR, 21, 2001
|
|
6TI7
 | | 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
|
|
5AE6
 | | The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1) in complex with 4-thioxylobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-XYLOSIDASE, ... | | Authors: | Mikkelsen, N.E, Gudmundsson, M, Karkehabadi, S, Hansson, H, Sandgren, M, Larenas, E, Mitchinson, C, Keleman, B, Kaper, T. | | Deposit date: | 2015-08-26 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina
To be Published
|
|
6TI6
 | | 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
|
|
1CLF
 | | CLOSTRIDIUM PASTEURIANUM FERREDOXIN | | Descriptor: | FERREDOXIN, IRON/SULFUR CLUSTER | | Authors: | Bertini, I, Donaire, A, Feinberg, B.A, Luchinat, C, Piccioli, M, Yuan, H. | | Deposit date: | 1995-06-21 | | Release date: | 1996-01-29 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the oxidized 2[4Fe-4S] ferredoxin from Clostridium pasteurianum.
Eur.J.Biochem., 232, 1995
|
|
