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6TLG
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BU of 6tlg by Molmil
Ligand-free state of human 14-3-3 sigma isoform
分子名称: 14-3-3 protein sigma, DI(HYDROXYETHYL)ETHER, SULFATE ION
著者Tassone, G, Pozzi, C, Mangani, S.
登録日2019-12-02
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of Phosphate-Containing Compounds as New Inhibitors of 14-3-3/c-Abl Protein-Protein Interaction.
Acs Chem.Biol., 15, 2020
4ZQ0
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BU of 4zq0 by Molmil
crystal structure of Giardia 14-3-3 in complex with the phosphopeptide A8Ap
分子名称: 14-3-3 protein, A8Ap phosphopeptide, PHOSPHATE ION
著者Fiorillo, A, Ilari, A.
登録日2015-05-08
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions.
J.Chem.Inf.Model., 55, 2015
5BY9
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BU of 5by9 by Molmil
The crystal structure of polyglycilated 14-3-3 protein from Giardia intestinalis
分子名称: 14-3-3 protein
著者Fiorillo, A, Ilari, A, Lalle, M.
登録日2015-06-10
公開日2016-04-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions.
J.Chem.Inf.Model., 55, 2015
3HBR
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BU of 3hbr by Molmil
Crystal structure of OXA-48 beta-lactamase
分子名称: 1,2-ETHANEDIOL, OXA-48
著者Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D.
登録日2009-05-05
公開日2009-06-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
4O2P
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BU of 4o2p by Molmil
Kinase domain of cSrc in complex with a substituted pyrazolopyrimidine
分子名称: 1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src
著者Richters, A, Rauh, D.
登録日2013-12-17
公開日2015-03-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Combining X-ray Crystallography and Molecular Modeling toward the Optimization of Pyrazolo[3,4-d]pyrimidines as Potent c-Src Inhibitors Active in Vivo against Neuroblastoma.
J.Med.Chem., 58, 2015
4RWR
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BU of 4rwr by Molmil
2.1 Angstrom Crystal Structure of Stage II Sporulation Protein D from Bacillus anthracis
分子名称: Stage II sporulation protein D
著者Minasov, G, Wawrzak, Z, Nocadello, S, Shuvalova, L, Dubrovska, I, Flores, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-12-05
公開日2014-12-17
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of the SpoIID Lytic Transglycosylases Essential for Bacterial Sporulation.
J.Biol.Chem., 291, 2016
4APN
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BU of 4apn by Molmil
Structure of TR from Leishmania infantum in complex with a diarylpirrole-based inhibitor
分子名称: 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baiocco, P, Ilari, A, Colotti, G, Biava, M.
登録日2012-04-04
公開日2013-04-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
4ADW
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CRYSTAL STRUCTURE OF LEISHMANIA INFANTUM TRYPANOTHIONE REDUCTASE IN COMPLEX WITH NADPH AND TRYPANOTHIONE
分子名称: BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baiocco, P, Ilari, A, Colotti, G, Malatesta, F, Fiorillo, A.
登録日2012-01-04
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Inhibition of Leishmania Infantum Trypanothione Reductase by Azole-Based Compounds: A Comparative Analysis with its Physiological Substrate by X-Ray Crystallography.
Chemmedchem, 8, 2013
4OXQ
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BU of 4oxq by Molmil
Structure of Staphylococcus pseudintermedius metal-binding protein SitA in complex with Zinc
分子名称: Manganese ABC transporter, periplasmic-binding protein SitA, ZINC ION
著者Abate, F, Malito, E, Bottomley, M.
登録日2014-02-06
公開日2014-10-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Apo, Zn2+-bound and Mn2+-bound structures reveal ligand-binding properties of SitA from the pathogen Staphylococcus pseudintermedius.
Biosci.Rep., 34, 2014
4OXR
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BU of 4oxr by Molmil
Structure of Staphylococcus pseudintermedius metal-binding protein SitA in complex with Manganese
分子名称: MANGANESE (II) ION, Manganese ABC transporter, periplasmic-binding protein SitA
著者Abate, F, Malito, E, Bottomley, M.
登録日2014-02-06
公開日2014-10-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Apo, Zn2+-bound and Mn2+-bound structures reveal ligand-binding properties of SitA from the pathogen Staphylococcus pseudintermedius.
Biosci.Rep., 34, 2014
6CR2
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BU of 6cr2 by Molmil
Crystal structure of sterol 14-alpha demethylase (CYP51B) from Aspergillus fumigatus in complex with the VNI derivative N-(1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl)-4-(5-(2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl)-1,3,4-oxadiazol-2-yl)benzamide
分子名称: 14-alpha sterol demethylase Cyp51B, N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide, PROTOPORPHYRIN IX CONTAINING FE
著者Friggeri, L, Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I.
登録日2018-03-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Sterol 14 alpha-Demethylase Structure-Based Design of VNI (( R)- N-(1-(2,4-Dichlorophenyl)-2-(1 H-imidazol-1-yl)ethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis, Biological Evaluation, and Crystallographic Analysis.
J. Med. Chem., 61, 2018
1LY7
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BU of 1ly7 by Molmil
The solution structure of the the c-terminal domain of frataxin, the protein responsible for friedreich ataxia
分子名称: frataxin
著者Musco, G, Stier, G, Kolmerer, B, Adinolfi, S, Martin, S, Frenkiel, T, Gibson, T, Pastore, A.
登録日2002-06-07
公開日2002-06-26
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Towards a structural understanding of Friedreich's ataxia: the solution structure of frataxin
Structure Fold.Des., 8, 2000
4Q7G
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BU of 4q7g by Molmil
1.7 Angstrom Crystal Structure of leukotoxin LukD from Staphylococcus aureus.
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Leucotoxin LukDv
著者Minasov, G, Nocadello, S, Shuvalova, L, Shatsman, S, Kwon, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2014-04-24
公開日2014-05-07
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of the components of the Staphylococcus aureus leukotoxin ED.
Acta Crystallogr D Struct Biol, 72, 2016
3ROH
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BU of 3roh by Molmil
Crystal Structure of Leukotoxin (LukE) from Staphylococcus aureus subsp. aureus COL.
分子名称: CHLORIDE ION, Leucotoxin LukEv, TRIETHYLENE GLYCOL
著者Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-04-25
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structures of the components of the Staphylococcus aureus leukotoxin ED.
Acta Crystallogr.,Sect.D, 72, 2016
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