2MKM
 
 | | G-triplex structure and formation propensity | | Descriptor: | DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3') | | Authors: | Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A. | | Deposit date: | 2014-02-10 | | Release date: | 2014-11-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
|
|
2MKO
 | | G-triplex structure and formation propensity | | Descriptor: | DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3'), POTASSIUM ION | | Authors: | Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A. | | Deposit date: | 2014-02-11 | | Release date: | 2014-11-19 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
|
|
1X95
 | | Solution structure of the DNA-hexamer ATGCAT complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944) | | Descriptor: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*TP*GP*CP*AP*T)-3' | | Authors: | Dai, J, Punchihewa, C, Mistry, P, Ooi, A.T, Yang, D. | | Deposit date: | 2004-08-19 | | Release date: | 2004-09-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Novel DNA bis-intercalation by MLN944, a potent clinical bisphenazine anticancer drug.
J.Biol.Chem., 279, 2004
|
|
2M0R
 | | Solution structure and dynamics of human S100A14 | | Descriptor: | Protein S100-A14 | | Authors: | Bertini, I, Borsi, V, Cerofolini, L, Das Gupta, S, Fragai, M, Luchinat, C. | | Deposit date: | 2012-11-05 | | Release date: | 2013-01-23 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of human S100A14.
J.Biol.Inorg.Chem., 18, 2013
|
|
1W2U
 | | X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH A SOAKED THIO CELLOTETRAOSE | | Descriptor: | ENDOGLUCANASE, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | | Deposit date: | 2004-07-08 | | Release date: | 2004-09-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A
J.Mol.Biol., 342, 2004
|
|
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
|
|
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
|
|
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
|
|
1YCM
 | | Solution Structure of matrix metalloproteinase 12 (MMP12) in the presence of N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH) | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ... | | Authors: | Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.M, Luchinat, C, Mangani, S, Terni, B, Turano, P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-12-22 | | Release date: | 2005-04-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Conformational variability of matrix metalloproteinases: Beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005
|
|
1UU6
 | | X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH A SOAKED CELLOPENTAOSE | | Descriptor: | ENDO-BETA-1,4-GLUCANASE, TETRAETHYLENE GLYCOL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | | Deposit date: | 2003-12-15 | | Release date: | 2004-09-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A
J.Mol.Biol., 342, 2004
|
|
5LSD
 | | recombinant mouse Nerve Growth Factor | | Descriptor: | Beta-nerve growth factor | | Authors: | Paoletti, F, de Chiara, C, Kelly, G, Lamba, D, Cattaneo, A, Pastore, A. | | Deposit date: | 2016-08-25 | | Release date: | 2017-07-05 | | Last modified: | 2024-07-03 | | Method: | SOLUTION NMR | | Cite: | Conformational Rigidity within Plasticity Promotes Differential Target Recognition of Nerve Growth Factor.
Front Mol Biosci, 3, 2016
|
|
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
|
|
1X81
 | | Farnesyl transferase structure of Jansen compound | | Descriptor: | 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, Protein farnesyltransferase beta subunit, Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit, ... | | Authors: | Li, Q, Claiborne, A, Li, T, Hasvold, L, Stoll, V.S, Muchmore, S, Jakob, C.G, Gu, W, Cohen, J, Hutchins, C, Frost, D, Rosenberg, S.H, Sham, H.L. | | Deposit date: | 2004-08-16 | | Release date: | 2004-12-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
|
|
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
|
|
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
|
|
2OY2
 | | Human MMP-8 in complex with peptide IAG | | Descriptor: | CALCIUM ION, ILE-ALA-GLY peptide, Neutrophil collagenase, ... | | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
|
|
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
|
|
2OY4
 | | Uninhibited human MMP-8 | | Descriptor: | CALCIUM ION, Neutrophil collagenase, ZINC ION | | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
|
|
3PVG
 | | Crystal structure of Z. mays CK2 alpha subunit in complex with the inhibitor 4,5,6,7-tetrabromo-1-carboxymethylbenzimidazole (K68) | | Descriptor: | (4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetic acid, Casein kinase II subunit alpha | | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | | Deposit date: | 2010-12-07 | | Release date: | 2010-12-15 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
|
|
3MBS
 | | Crystal structure of 8mer PNA | | Descriptor: | 1,2-ETHANEDIOL, Peptide Nucleic Acid | | Authors: | Yeh, J.I, Pohl, E, Truan, D, He, W, Sheldrick, G.M, Achim, C. | | Deposit date: | 2010-03-26 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | The crystal structure of non-modified and bipyridine-modified PNA duplexes.
Chemistry, 16, 2010
|
|
1Q3A
 | | Crystal structure of the catalytic domain of human matrix metalloproteinase 10 | | Descriptor: | CALCIUM ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, Stromelysin-2, ... | | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Mangani, S, Terni, B. | | Deposit date: | 2003-07-29 | | Release date: | 2004-04-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the catalytic domain of human matrix metalloproteinase 10.
J.Mol.Biol., 336, 2004
|
|
3KXH
 | | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66) | | Descriptor: | Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid | | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | | Deposit date: | 2009-12-03 | | Release date: | 2010-11-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
|
|
3KXN
 | | Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88) | | Descriptor: | 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha | | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | | Deposit date: | 2009-12-03 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
|
|
3MBU
 | | Structure of a bipyridine-modified PNA duplex | | Descriptor: | 1,2-ETHANEDIOL, Bipyridine-PNA, CARBONATE ION, ... | | Authors: | Yeh, J.I, Pohl, E, Truan, D, He, W, Sheldrick, G.M, Du, S, Achim, C. | | Deposit date: | 2010-03-26 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The crystal structure of non-modified and bipyridine-modified PNA duplexes.
Chemistry, 16, 2010
|
|
