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2K0J
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BU of 2k0j by Molmil
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
2L51
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BU of 2l51 by Molmil
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
2L50
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BU of 2l50 by Molmil
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
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BU of 2llp by Molmil
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
2K61
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BU of 2k61 by Molmil
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
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BU of 2kax by Molmil
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
2KAY
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BU of 2kay by Molmil
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
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BU of 2k9c by Molmil
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
2MKM
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BU of 2mkm by Molmil
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
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BU of 2mko by Molmil
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
3N2V
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BU of 3n2v by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(N-hydroxyethyl)biphenyl-4-ylsulfonamido)acetamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide, ...
Authors:Calderone, V.
Deposit date:2010-05-19
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).
Eur.J.Med.Chem., 45, 2010
3N2U
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BU of 3n2u by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(4-methoxy-N(2-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)ethyl)phenylsulfonamido)acetamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide, ...
Authors:Calderone, V.
Deposit date:2010-05-19
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).
Eur.J.Med.Chem., 45, 2010
3F16
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BU of 3f16 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
Descriptor: (2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F17
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BU of 3f17 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)biphenyl-4-sulfonamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F15
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BU of 3f15 by Molmil
Crystal structure of the catalytic domain of human mmp12 complexed with the inhibitor (S)-N-(2,3-dihydroxypropyl)-4-methoxy-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Descriptor: 2-[[(2S)-2,3-dihydroxypropyl]-(4-methoxyphenyl)sulfonyl-amino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F18
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BU of 3f18 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Descriptor: 2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
5GXG
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BU of 5gxg by Molmil
High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Kikui, Y, Hiruma, Y, Ubbink, M, Nojiri, M.
Deposit date:2016-09-17
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification of productive and futile encounters in an electron transfer protein complex
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3EHX
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BU of 3ehx by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(biphenyl-4-ylsulfonamido)-4-methylpentanoic acid
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-(biphenyl-4-ylsulfonyl)-D-leucine, ...
Authors:Calderone, V.
Deposit date:2008-09-15
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biotin-tagged probes for MMP expression and activation: design, synthesis, and binding properties
Bioconjug.Chem., 20, 2009
3EHY
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BU of 3ehy by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor (R)-2-(4-methoxyphenylsulfonamido)propanoic acid
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-[(4-methoxyphenyl)sulfonyl]-D-alanine, ...
Authors:Calderone, V.
Deposit date:2008-09-15
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biotin-tagged probes for MMP expression and activation: design, synthesis, and binding properties
Bioconjug.Chem., 20, 2009
3F1A
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BU of 3f1a by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-oxo-2-(phenylsulfonylamino)ethanamide, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3F19
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BU of 3f19 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Descriptor: 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Calderone, V.
Deposit date:2008-10-27
Release date:2008-11-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases.
J.Am.Chem.Soc., 129, 2007
3LK8
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BU of 3lk8 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor paramethoxy-sulfonyl-glycine hydroxamate
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide, ...
Authors:Calderone, V.
Deposit date:2010-01-27
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploring the subtleties of drug-receptor interactions: the case of matrix metalloproteinases
J.Am.Chem.Soc., 129, 2007
3LKA
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BU of 3lka by Molmil
Catalytic domain of human MMP-12 complexed with hydroxamic acid and paramethoxy-sulfonyl amide
Descriptor: 4-methoxybenzenesulfonamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2010-01-27
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Entropic contribution to the linking coefficient in fragment based drug design: a case study.
J.Med.Chem., 53, 2010
1JAF
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BU of 1jaf by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME C' FROM RHODOCYCLUS GELATINOSUS AT 2.5 ANGSTOMS RESOLUTION
Descriptor: CYTOCHROME C', PROTOPORPHYRIN IX CONTAINING FE
Authors:Archer, M, Banci, L, Dikaya, E, Romao, M.J.
Deposit date:1997-06-24
Release date:1998-01-21
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Cytochrome C' from Rhodocyclus Gelatinosus and Comparison with Other Cytochromes C'
J.Biol.Inorg.Chem., 2, 1997
3NXA
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BU of 3nxa by Molmil
X-ray structure of the apo form of human S100A16
Descriptor: Protein S100-A16
Authors:Calderone, V.
Deposit date:2010-07-13
Release date:2010-11-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011

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