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6T0Q
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Pleurotus Ostreatus Lectin (POL), apo form
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Destefanis, L, Perduca, M, Bovi, M, Monaco, H.L, Capaldi, S.
登録日2019-10-03
公開日2020-02-19
最終更新日2022-12-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure and properties of the oyster mushroom (Pleurotus ostreatus) lectin.
Glycobiology, 30, 2020
6STK
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Crystal structure of the CC-chemokine 5 (CCL5) E66S mutation
分子名称: ACETATE ION, C-C motif chemokine 5, GLYCEROL
著者Ramirez-Escudero, M, Janssen, B.J.C.
登録日2019-09-10
公開日2020-09-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural characterization of anti-CCL5 activity of the tick salivary protein evasin-4.
J.Biol.Chem., 295, 2020
6T1D
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Pleurotus Ostreatus Lectin (POL), compelx with melibiose
分子名称: CALCIUM ION, Lectin, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose
著者Destefanis, L, Perduca, M, Bovi, M, Monaco, H.L, Capaldi, S.
登録日2019-10-04
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and properties of the oyster mushroom (Pleurotus ostreatus) lectin.
Glycobiology, 30, 2020
6T00
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BU of 6t00 by Molmil
Crystal structure of Cold Shock Protein B (CSP-B) containing 4-F-Phe modified residues
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Cold shock protein CspD, GLYCEROL
著者Zhou, T, Mayans, O.
登録日2019-10-02
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献What does fluorine do to a protein? Thermodynamic, and highly-resolved structural insights into fluorine-labelled variants of the cold shock protein.
Sci Rep, 10, 2020
6YEC
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E.coli's Putrescine receptor PotF complexed with Spermine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Shanmugaratnam, S, Kroeger, P, Hocker, B.
登録日2020-03-24
公開日2021-01-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF.
Structure, 29, 2021
6YPJ
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Crystal Structure of CK2alpha with Compound 1 bound
分子名称: 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, Hyvonen, M.
登録日2020-04-16
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6YHR
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Crystal structure of Werner syndrome helicase
分子名称: ADENOSINE-5'-DIPHOSPHATE, Werner syndrome ATP-dependent helicase, ZINC ION
著者Newman, J.A, Gavard, A.E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-03-30
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the helicase core of Werner helicase, a key target in microsatellite instability cancers.
Life Sci Alliance, 4, 2021
6YA4
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Crystal structure of PnrA from S. pneumoniae in complex with cytidine
分子名称: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2020-03-11
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
7L7C
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Crystal Structure of EcDsbA in a complex with 2-(6-(3-Methoxyphenyl)benzofuran-3-yl)acetic acid
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid
著者Ilyichova, O.V, Scanlon, M.J.
登録日2020-12-28
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
6YA3
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Crystal structure of PnrA from S. pneumoniae in complex with guanosine
分子名称: GUANOSINE, Lipoprotein, NICKEL (II) ION
著者Batuecas, M.T, Hermoso, J.A.
登録日2020-03-11
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6YAB
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Crystal structure of PnrA from S. pneumoniae in complex with uridine
分子名称: ACETATE ION, CACODYLATE ION, Lipoprotein, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2020-03-12
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
7KHU
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Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 in complex with LNDFH I
分子名称: Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A.
登録日2020-10-22
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KI5
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Crystal structure of P[6] rotavirus vp8* in complex with LNT
分子名称: Capsid protein, GLYCEROL, TRIETHYLENE GLYCOL, ...
著者Xu, S, Kennedy, M.A.
登録日2020-10-23
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens.
Proc.Natl.Acad.Sci.USA, 118, 2021
7L76
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Crystal Structure of EcDsbA in a complex with 2-(6-Phenylbenzofuran-3-yl)acetic acid
分子名称: (6-phenyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA
著者Ilyichova, O.V, Scanlon, M.J.
登録日2020-12-26
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.
Bioorg.Med.Chem., 45, 2021
6T2E
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
分子名称: E3 ubiquitin-protein ligase Mdm2, Stapled peptide GAR300-Gm
著者Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
登録日2019-10-08
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6Y9U
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Crystal structure of PnrA from S. pneumoniae in complex with adenosine
分子名称: ACETATE ION, ADENOSINE, Lipoprotein, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2020-03-10
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6T2F
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
分子名称: 2-(methylamino)-~{N}-[[3-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, E3 ubiquitin-protein ligase Mdm2, MDM2 in complex with GAR300-Am
著者Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
登録日2019-10-08
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YAG
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Crystal structure of PnrA from S. pneumoniae in complex with thymidine
分子名称: ACETATE ION, Lipoprotein, NICKEL (II) ION, ...
著者Batuecas, M.T, Hermoso, J.A.
登録日2020-03-12
公開日2021-02-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure and Pathophysiological Role of the Pneumococcal Nucleoside-binding Protein PnrA.
J.Mol.Biol., 433, 2021
6TLG
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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
6T2D
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Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions
分子名称: 2-(methylamino)-~{N}-[[4-[[2-(methylamino)ethanoylamino]methyl]phenyl]methyl]ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ...
著者Groves, R.M, Ali, M.A, Atmaj, J, van Oosterwijk, N, Domling, A, Rivera, G.D, Ricardo, G.M.
登録日2019-10-08
公開日2020-01-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Multicomponent Peptide Stapling as a Diversity-Driven Tool for the Development of Inhibitors of Protein-Protein Interactions.
Angew.Chem.Int.Ed.Engl., 59, 2020
6YIG
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Crystal structure of the N-terminal EF-hand domain of Arabidopsis thaliana AtEH1/Pan1
分子名称: CALCIUM ION, Calcium-binding EF hand family protein, SODIUM ION
著者Yperman, K, Merceron, R, De Munck, S, Bloch, Y, Savvides, S.N, Pleskot, R, Van Damme, D.
登録日2020-04-01
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Distinct EH domains of the endocytic TPLATE complex confer lipid and protein binding.
Nat Commun, 12, 2021
6T6G
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Bacteroides salyersiae GH164 beta-mannosidase in complex with noeuromycin
分子名称: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Armstrong, Z, Davies, G.
登録日2019-10-18
公開日2020-01-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure and function ofBs164 beta-mannosidase fromBacteroides salyersiaethe founding member of glycoside hydrolase family GH164.
J.Biol.Chem., 295, 2020
7KWR
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1,N6-ethenoadnine (E) in dsDNA sequence (5'-CGCGEATTCGCG-3')
分子名称: DNA (5'-D(*(DCZ)P*GP*CP*GP*(EDA)P*AP*TP*TP*CP*GP*CP*G)-3')
著者Meints, G.A, Ljunggren, K.D.
登録日2020-12-01
公開日2021-12-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Single Base Lesions and Mismatches Alter the Backbone Dynamics and Conformational Properties in DNA
To Be Published
6Y0L
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Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N, R253G, S254G mutant
分子名称: GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor membrane-bound form, SULFATE ION
著者Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
登録日2020-02-09
公開日2021-06-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
6Y0M
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Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N mutant
分子名称: Low affinity immunoglobulin epsilon Fc receptor membrane-bound form
著者Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M.
登録日2020-02-09
公開日2021-06-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021

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