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1HNS
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BU of 1hns by Molmil
H-NS (DNA-BINDING DOMAIN)
分子名称: H-NS
著者Shindo, H, Iwaki, T, Ieda, R, Kurumizaka, H, Ueguchi, C, Mizuno, T, Morikawa, S, Nakamura, H, Kuboniwa, H.
登録日1995-04-06
公開日1995-07-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of the DNA binding domain of a nucleoid-associated protein, H-NS, from Escherichia coli.
FEBS Lett., 360, 1995
3EM3
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BU of 3em3 by Molmil
Crystal structure of amprenavir (APV) in complex with a drug resistant HIV-1 protease variant (I50L/A71V).
分子名称: ACETATE ION, Protease, {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
著者Prabu-Jeyabalan, M, King, N, Royer, C, Schiffer, C.
登録日2008-09-23
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Kinetic and Structural Studies on Atazanavir-specific I50L Drug-Resistant HIV-1 Protease Mutant
To be Published
1J5D
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BU of 1j5d by Molmil
SOLUTION STRUCTURE OF OXIDIZED PARAMAGNETIC CU(II) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803-MINIMIZED AVERAGE STRUCTURE
分子名称: COPPER (II) ION, PLASTOCYANIN
著者Bertini, I, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Shumilin, S, Vila, A.J.
登録日2002-04-02
公開日2002-04-10
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献The first solution structure of a paramagnetic copper(II) protein: the case of oxidized plastocyanin from the cyanobacterium Synechocystis PCC6803.
J.Am.Chem.Soc., 123, 2001
1J5C
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BU of 1j5c by Molmil
SOLUTION STRUCTURE OF OXIDIZED PARAMAGNETIC CU(II) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803
分子名称: COPPER (II) ION, PLASTOCYANIN
著者Bertini, I, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Shumilin, S, Vila, A.J.
登録日2002-04-02
公開日2002-04-10
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献The first solution structure of a paramagnetic copper(II) protein: the case of oxidized plastocyanin from the cyanobacterium Synechocystis PCC6803.
J.Am.Chem.Soc., 123, 2001
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
3KXG
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BU of 3kxg by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)
分子名称: 3,4,5,6,7-pentabromo-1H-indazole, 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
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
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
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
3KXM
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BU of 3kxm by Molmil
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor K74
分子名称: Casein kinase II subunit alpha, N-methyl-2-[(4,5,6,7-tetrabromo-1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
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 (1.75 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
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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BU of 3kxn by Molmil
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
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
3H63
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BU of 3h63 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with cantharidin (which is present in the structure in the hydrolyzed form)
分子名称: (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3H67
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Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Zn2+ atoms complexed with cantharidic acid
分子名称: (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3SHI
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BU of 3shi by Molmil
Crystal structure of human MMP1 catalytic domain at 2.2 A resolution
分子名称: CALCIUM ION, Interstitial collagenase, ZINC ION
著者Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J.
登録日2011-06-16
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The catalytic domain of MMP-1 studied through tagged lanthanides.
Febs Lett., 586, 2012
1AKK
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BU of 1akk by Molmil
SOLUTION STRUCTURE OF OXIDIZED HORSE HEART CYTOCHROME C, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: CYTOCHROME C, HEME C
著者Banci, L, Bertini, I, Gray, H.B, Luchinat, C, Reddig, T, Rosato, A, Turano, P.
登録日1997-05-22
公開日1997-09-17
最終更新日2022-02-16
実験手法SOLUTION NMR
主引用文献Solution structure of oxidized horse heart cytochrome c.
Biochemistry, 36, 1997
3H62
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Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with cantharidic acid
分子名称: (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3H69
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Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms complexed with endothall
分子名称: (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, Serine/threonine-protein phosphatase 5, ZINC ION
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3H60
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Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c)with two Mn2+ atoms
分子名称: MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3H66
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Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms
分子名称: Serine/threonine-protein phosphatase 5, ZINC ION
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3H61
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Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms originally soaked with norcantharidin (which is present in the structure in the hydrolyzed form)
分子名称: (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5
著者Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
登録日2009-04-23
公開日2009-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
3BA0
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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2023-11-01
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

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