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6EOK
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BU of 6eok by Molmil
Crystal structure of E. coli L-asparaginase II
分子名称: L-asparaginase 2, ZINC ION
著者Cerofolini, L, Giuntini, S, Carlon, A, Ravera, E, Calderone, V, Fragai, M, Parigi, G, Luchinat, C.
登録日2017-10-09
公開日2018-10-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of PEGylated Asparaginase: New Opportunities from NMR Analysis of Large PEGylated Therapeutics.
Chemistry, 25, 2019
8AWW
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BU of 8aww by Molmil
Transthyretin conjugated with a tafamidis derivative
分子名称: Transthyretin, ~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide
著者Cerofolini, L, Vasa, K, Bianconi, E, Salobehaj, M, Cappelli, G, Licciardi, G, Perez-Rafols, A, Padilla Cortes, L.D, Antonacci, S, Rizzo, D, Ravera, E, Calderone, V, Parigi, G, Luchinat, C, Macchiarulo, A, Menichetti, S, Fragai, M.
登録日2022-08-30
公開日2023-07-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates.
Angew.Chem.Int.Ed.Engl., 62, 2023
1KQV
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BU of 1kqv by Molmil
Family of NMR Solution Structures of Ca Ln Calbindin D9K
分子名称: LANTHANUM (III) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN
著者Bertini, I, Donaire, A, Jimenez, B, Luchinat, C, Parigi, G, Piccioli, M, Poggi, L.
登録日2002-01-08
公開日2002-01-16
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.
J.Biomol.NMR, 21, 2001
1KSM
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BU of 1ksm by Molmil
AVERAGE NMR SOLUTION STRUCTURE OF CA LN CALBINDIN D9K
分子名称: LANTHANUM (III) ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN
著者Bertini, I, Donaire, A, Luchinat, C, Piccioli, M, Poggi, L, Parigi, G, Jimenez, B.
登録日2002-01-14
公開日2002-01-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Paramagnetism-based versus classical constraints: an analysis of the solution structure of Ca Ln calbindin D9k.
J.Biomol.NMR, 21, 2001
1SW8
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BU of 1sw8 by Molmil
Solution structure of the N-terminal domain of Human N60D calmodulin refined with paramagnetism based strategy
分子名称: CALCIUM ION, Calmodulin
著者Bertini, I, Del Bianco, C, Gelis, I, Katsaros, N, Luchinat, C, Parigi, G, Peana, M, Provenzani, A, Zoroddu, M.A, Structural Proteomics in Europe (SPINE)
登録日2004-03-30
公開日2004-04-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Experimentally exploring the conformational space sampled by domain reorientation in calmodulin
Proc.Natl.Acad.Sci.USA, 101, 2004
1S05
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BU of 1s05 by Molmil
NMR-validated structural model for oxidized R.palustris cytochrome c556
分子名称: Cytochrome c-556, HEME C
著者Bertini, I, Faraone-Mennella, J, Gray, H.B, Luchinat, C, Parigi, G, Winkler, J.R.
登録日2003-12-30
公開日2004-01-20
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献NMR-validated structural model for oxidized Rhodopseudomonas palustris cytochrome c(556).
J.Biol.Inorg.Chem., 9, 2004
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
8OGD
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BU of 8ogd by Molmil
Structure of zinc(II) double mutant human carbonic anhydrase II bound to thiocyanate
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, THIOCYANATE ION, ...
著者Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
登録日2023-03-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
8OGE
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BU of 8oge by Molmil
Structure of cobalt(II) substituted double mutant human carbonic anhydrase II bound to thiocyanate
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ...
著者Silva, J.M, Cerofolini, L, Carvalho, A.L, Ravera, E, Fragai, M, Parigi, G, Macedo, A.L, Geraldes, C.F.G.C, Luchinat, C.
登録日2023-03-20
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Elucidating the concentration-dependent effects of thiocyanate binding to carbonic anhydrase.
J.Inorg.Biochem., 244, 2023
8PHM
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BU of 8phm by Molmil
Oxalate-bound cobalt(II) human carbonic anhydrase II
分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, COBALT (II) ION, Carbonic anhydrase 2, ...
著者Gigli, L, Malanho Silva, J, Cerofolini, L, Macedo, A.L, Geraldes, C.F.G.C, Suturina, E.A, Calderone, V, Fragai, M, Parigi, G, Ravera, E, Luchinat, C.
登録日2023-06-20
公開日2024-10-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Machine Learning-Enhanced Quantum Chemistry-Assisted Refinement of the Active Site Structure of Metalloproteins.
Inorg.Chem., 63, 2024
2L50
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BU of 2l50 by Molmil
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
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
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
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
5LCR
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BU of 5lcr by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.565 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5GXG
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BU of 5gxg by Molmil
High-resolution crystal structure of the electron transfer complex of cytochrome p450cam with putidaredoxin
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Camphor 5-monooxygenase, FE2/S2 (INORGANIC) CLUSTER, ...
著者Kikui, Y, Hiruma, Y, Ubbink, M, Nojiri, M.
登録日2016-09-17
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identification of productive and futile encounters in an electron transfer protein complex
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5LCP
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BU of 5lcp by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
分子名称: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, DIMETHYL SULFOXIDE, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.433 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77)
To Be Published
5LCT
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BU of 5lct by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.615 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCU
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BU of 5lcu by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE, METHANOL, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
5LCQ
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BU of 5lcq by Molmil
Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative (Ligand 05)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Wienen-Schmidt, B, Heine, A, Klebe, G.
登録日2016-06-22
公開日2018-01-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.423 Å)
主引用文献Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with different Fasudil-derivatives
To Be Published
3NXA
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BU of 3nxa by Molmil
X-ray structure of the apo form of human S100A16
分子名称: Protein S100-A16
著者Calderone, V.
登録日2010-07-13
公開日2010-11-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural characterization of human S100A16, a low-affinity calcium binder.
J.Biol.Inorg.Chem., 16, 2011
5LAB
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BU of 5lab by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH
分子名称: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
著者Ravera, E, Calderone, V, Luchinat, C.
登録日2016-06-14
公開日2016-08-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献First-principles calculation of pseudo-contact shifts in a paramagnetic metalloprotein
To Be Published

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