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2MKM
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BU of 2mkm by Molmil
G-triplex structure and formation propensity
分子名称: DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3')
著者Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A.
登録日2014-02-10
公開日2014-11-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
2MKO
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BU of 2mko by Molmil
G-triplex structure and formation propensity
分子名称: DNA_(5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*G)-3'), POTASSIUM ION
著者Cerofolini, L, Fragai, M, Giachetti, A, Limongelli, V, Luchinat, C, Novellino, E, Parrinello, M, Randazzo, A.
登録日2014-02-11
公開日2014-11-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献G-triplex structure and formation propensity.
Nucleic Acids Res., 42, 2014
1X95
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BU of 1x95 by Molmil
Solution structure of the DNA-hexamer ATGCAT complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944)
分子名称: 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'
著者Dai, J, Punchihewa, C, Mistry, P, Ooi, A.T, Yang, D.
登録日2004-08-19
公開日2004-09-28
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Novel DNA bis-intercalation by MLN944, a potent clinical bisphenazine anticancer drug.
J.Biol.Chem., 279, 2004
2M0R
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BU of 2m0r by Molmil
Solution structure and dynamics of human S100A14
分子名称: Protein S100-A14
著者Bertini, I, Borsi, V, Cerofolini, L, Das Gupta, S, Fragai, M, Luchinat, C.
登録日2012-11-05
公開日2013-01-23
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of human S100A14.
J.Biol.Inorg.Chem., 18, 2013
1W2U
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BU of 1w2u by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH A SOAKED THIO CELLOTETRAOSE
分子名称: ENDOGLUCANASE, SULFATE ION, TETRAETHYLENE GLYCOL, ...
著者Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M.
登録日2004-07-08
公開日2004-09-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献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
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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
2K0J
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BU of 2k0j by Molmil
Solution structure of CaM complexed to DRP1p
分子名称: CALCIUM ION, LANTHANUM (III) ION, calmodulin
著者Bertini, I, Luchinat, C, Parigi, G, Yuan, J, Structural Proteomics in Europe (SPINE)
登録日2008-02-04
公開日2009-03-10
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献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
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BU of 2k61 by Molmil
Solution structure of CaM complexed to DAPk peptide
分子名称: CALCIUM ION, Calmodulin, TERBIUM(III) ION
著者Bertini, I, Luchinat, C, Parigi, G, Yuan, J.
登録日2008-07-02
公開日2009-05-05
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献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
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BU of 2kax by Molmil
Solution structure and dynamics of S100A5 in the apo and Ca2+ -bound states
分子名称: Protein S100-A5
著者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)
登録日2008-11-17
公開日2009-06-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
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
1UU6
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BU of 1uu6 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH A SOAKED CELLOPENTAOSE
分子名称: 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
著者Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M.
登録日2003-12-15
公開日2004-09-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
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BU of 5lsd by Molmil
recombinant mouse Nerve Growth Factor
分子名称: Beta-nerve growth factor
著者Paoletti, F, de Chiara, C, Kelly, G, Lamba, D, Cattaneo, A, Pastore, A.
登録日2016-08-25
公開日2017-07-05
最終更新日2024-07-03
実験手法SOLUTION NMR
主引用文献Conformational Rigidity within Plasticity Promotes Differential Target Recognition of Nerve Growth Factor.
Front Mol Biosci, 3, 2016
2L51
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BU of 2l51 by Molmil
Solution structure of calcium bound S100A16
分子名称: CALCIUM ION, Protein S100-A16
著者Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G.
登録日2010-10-22
公開日2010-11-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
1X81
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BU of 1x81 by Molmil
Farnesyl transferase structure of Jansen compound
分子名称: 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, ...
著者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.
登録日2004-08-16
公開日2004-12-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
2KAY
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BU of 2kay by Molmil
Solution structure and dynamics of S100A5 in the Ca2+ -bound states
分子名称: CALCIUM ION, Protein S100-A5
著者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)
登録日2008-11-17
公開日2009-06-30
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure and dynamics of S100A5 in the apo and Ca2+-bound states
J.Biol.Inorg.Chem., 14, 2009
2K9C
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BU of 2k9c by Molmil
Paramagnetic shifts in solid-state NMR of Proteins to elicit structural information
分子名称: COBALT (II) ION, Macrophage metalloelastase
著者Balayssac, S, Bertini, I, Bhaumik, A, Lelli, M, Luchinat, C.
登録日2008-10-08
公開日2008-11-18
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Paramagnetic shifts in solid-state NMR of proteins to elicit structural information
Proc.Natl.Acad.Sci.Usa, 105, 2008
2OY2
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BU of 2oy2 by Molmil
Human MMP-8 in complex with peptide IAG
分子名称: CALCIUM ION, ILE-ALA-GLY peptide, Neutrophil collagenase, ...
著者Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J.
登録日2007-02-21
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2L50
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Solution structure of apo S100A16
分子名称: Protein S100-A16
著者Babini, E, Bertini, I, Borsi, V, Calderone, V, Hu, X, Luchinat, C, Parigi, G.
登録日2010-10-22
公開日2010-11-03
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
2OY4
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BU of 2oy4 by Molmil
Uninhibited human MMP-8
分子名称: CALCIUM ION, Neutrophil collagenase, ZINC ION
著者Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J.
登録日2007-02-21
公開日2007-03-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
3PVG
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BU of 3pvg by Molmil
Crystal structure of Z. mays CK2 alpha subunit in complex with the inhibitor 4,5,6,7-tetrabromo-1-carboxymethylbenzimidazole (K68)
分子名称: (4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetic acid, Casein kinase II subunit alpha
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2010-12-07
公開日2010-12-15
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3MBS
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BU of 3mbs by Molmil
Crystal structure of 8mer PNA
分子名称: 1,2-ETHANEDIOL, Peptide Nucleic Acid
著者Yeh, J.I, Pohl, E, Truan, D, He, W, Sheldrick, G.M, Achim, C.
登録日2010-03-26
公開日2011-03-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献The crystal structure of non-modified and bipyridine-modified PNA duplexes.
Chemistry, 16, 2010
1Q3A
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BU of 1q3a by Molmil
Crystal structure of the catalytic domain of human matrix metalloproteinase 10
分子名称: CALCIUM ION, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, Stromelysin-2, ...
著者Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Mangani, S, Terni, B.
登録日2003-07-29
公開日2004-04-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the catalytic domain of human matrix metalloproteinase 10.
J.Mol.Biol., 336, 2004
3KXH
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BU of 3kxh by Molmil
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)
分子名称: Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2009-12-03
公開日2010-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3KXN
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Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor tetraiodobenzimidazole (K88)
分子名称: 4,5,6,7-tetraiodo-1H-benzimidazole, Casein kinase II subunit alpha
著者Papinutto, E, Franchin, C, Battistutta, R.
登録日2009-12-03
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
3MBU
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BU of 3mbu by Molmil
Structure of a bipyridine-modified PNA duplex
分子名称: 1,2-ETHANEDIOL, Bipyridine-PNA, CARBONATE ION, ...
著者Yeh, J.I, Pohl, E, Truan, D, He, W, Sheldrick, G.M, Du, S, Achim, C.
登録日2010-03-26
公開日2011-03-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献The crystal structure of non-modified and bipyridine-modified PNA duplexes.
Chemistry, 16, 2010

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