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5LSZ
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Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
分子名称: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
著者Tisi, D, Pathuri, P, Heightman, T.
登録日2016-09-05
公開日2016-10-05
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LNM
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Crystal structure of D1050E mutant of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana
分子名称: Histidine kinase CKI1
著者Otrusinova, O, Demo, G, Kaderavek, P, Jansen, S, Jasenakova, Z, Pekarova, B, Janda, L, Wimmerova, M, Hejatko, J, Zidek, L.
登録日2016-08-05
公開日2017-09-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
J. Biol. Chem., 292, 2017
5XOA
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Thanatin M21F in complex with LPS
分子名称: Thanatin
著者Sinha, S, Bhattacharyya, S.
登録日2017-05-27
公開日2018-06-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Thanatin M21F in complex with LPS
To Be Published
5X5S
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BU of 5x5s by Molmil
Ligand induced structure of AmyP-SBD
分子名称: Amylase
著者Li, X, Yu, J, Sun, H, Zhang, X.
登録日2017-02-17
公開日2017-04-05
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Ligand binding induced folding of a novel CBM69 starch binding domain
To Be Published
5XR1
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BU of 5xr1 by Molmil
Structure of FLN IG21 domain in complex with C-terminal peptide of beta-2
分子名称: C-terminal peptide of Integrin beta-2,Filamin-A IG21 domain
著者Chatterjee, D, Lu, L.Z, Bhattacharjya, S.
登録日2017-06-07
公開日2018-06-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of FLN IG21 domain in complex with C-terminal peptide of beta-2
To Be Published
5LNN
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Crystal structure of D1050A mutant of the receiver domain of the histidine kinase CKI1 from Arabidopsis thaliana
分子名称: Histidine kinase CKI1
著者Otrusinova, O, Demo, G, Kaderavek, P, Jansen, S, Jasenakova, Z, Pekarova, B, Janda, L, Wimmerova, M, Hejatko, J, Zidek, L.
登録日2016-08-05
公開日2017-09-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana.
J. Biol. Chem., 292, 2017
5XI1
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Structural Insight of Flavonoids binding to CAG repeat RNA that causes Huntington's Disease (HD) and Spinocerebellar Ataxia (SCAs)
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3')
著者Tawani, A, Mishra, S.K, Khan, E, Kumar, A.
登録日2017-04-25
公開日2018-08-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington's Disease (HD) and Spino Cerebellar Ataxia (SCAs).
ACS Chem. Biol., 13, 2018
5XEK
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BU of 5xek by Molmil
C-terminal zinc finger of RING finger protein 141
分子名称: RING finger protein 141, ZINC ION
著者Miyamoto, K.
登録日2017-04-05
公開日2018-05-02
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献C-terminal zinc finger of RING finger protein 141
To Be Published
5XO4
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Free Thanatin at 298K
分子名称: Thanatin
著者Sinha, S, Bhattacharjya, S.
登録日2017-05-26
公開日2018-06-27
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Free Thanatin at 298K
To Be Published
5LVS
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BU of 5lvs by Molmil
Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries
分子名称: 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, ...
著者Jewginski, M, LANGLOIS D'ESTAINTOT, B, Granier, T, Huc, Y.
登録日2016-09-14
公開日2017-03-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
5Y4U
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BU of 5y4u by Molmil
Crystal structure of Grx domain of Grx3 from Saccharomyces cerevisiae
分子名称: Monothiol glutaredoxin-3
著者Chi, C.B, Tang, Y.J, Zhang, J.H, Dai, Y.N, Abdalla, M, Chen, Y.X, Zhou, C.Z.
登録日2017-08-05
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3.
J.Mol.Biol., 430, 2018
5Y0A
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BU of 5y0a by Molmil
Cryo-EM structure of zika virus complexed with Fab of ZKA190 at pH 8.0 and 37 celsius degree
分子名称: protein E, variable region of Fab ZKA190 heavy chain, variable region of Fab ZKA190 light chain
著者Wang, J.Q, Lok, S.M.
登録日2017-07-15
公開日2017-10-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (22 Å)
主引用文献A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential.
Cell, 171, 2017
5M4T
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BU of 5m4t by Molmil
C-terminal domain structure of VSG M1.1
分子名称: Variant surface glycoprotein MITAT 1.1
著者Jones, N.G, Mott, H.R, Carrington, M.
登録日2016-10-19
公開日2017-09-20
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural basis for the shielding function of the dynamic trypanosome variant surface glycoprotein coat.
Nat Microbiol, 2, 2017
5YI4
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Solution Structure of the DISC1/Ndel1 complex
分子名称: Disrupted in schizophrenia 1 homolog,Nuclear distribution protein nudE-like 1
著者Ye, F, Yu, C, Yu, C, Zhang, M.
登録日2017-10-02
公開日2017-11-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献DISC1 Regulates Neurogenesis via Modulating Kinetochore Attachment of Ndel1/Nde1 during Mitosis.
Neuron, 96, 2017
5M6L
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BU of 5m6l by Molmil
Small Molecule inhibitors of IAP
分子名称: 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ...
著者Williams, P.A.
登録日2016-10-25
公開日2017-05-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5Y4T
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BU of 5y4t by Molmil
Crystal structure of Trx domain of Grx3 from Saccharomyces cerevisiae
分子名称: GLYCEROL, Glutaredoxin
著者Chi, C.B, Tang, Y.J, Zhang, J.H, Dai, Y.N, Abdalla, M, Chen, Y.X, Zhou, C.Z.
登録日2017-08-05
公開日2018-08-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural and Biochemical Insights into the Multiple Functions of Yeast Grx3.
J.Mol.Biol., 430, 2018
5M6M
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BU of 5m6m by Molmil
Small Molecule inhibitors of IAP
分子名称: 1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ...
著者Williams, P.A.
登録日2016-10-25
公開日2017-05-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6R
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BU of 5m6r by Molmil
Human porphobilinogen deaminase in complex with reaction intermediate
分子名称: 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION, ...
著者Pluta, P, Millet, O, Roversi, P, Rojas, A.L, Gu, S.
登録日2016-10-25
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Structural basis of pyrrole polymerization in human porphobilinogen deaminase.
Biochim Biophys Acta Gen Subj, 1862, 2018
5M6E
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BU of 5m6e by Molmil
Small Molecule inhibitors of IAP
分子名称: 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone, DIMETHYL SULFOXIDE, E3 ubiquitin-protein ligase XIAP, ...
著者Williams, P.A.
登録日2016-10-25
公開日2017-05-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
5M6N
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BU of 5m6n by Molmil
Small Molecule inhibitors of IAP
分子名称: 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, Baculoviral IAP repeat-containing protein 2, SULFATE ION, ...
著者Williams, P.A.
登録日2016-10-25
公開日2017-05-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP).
J. Med. Chem., 60, 2017
6J4C
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BU of 6j4c by Molmil
Crystal structure of MarH, an epimerase for biosynthesis of Maremycins in Streptomyces, under 10 mM ZnSO4
分子名称: ACETIC ACID, Cupin superfamily protein, GLYCEROL, ...
著者Hou, Y, Liu, B, Hu, K, Zhang, R.
登録日2019-01-08
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural basis of the mechanism of beta-methyl epimerization by enzyme MarH.
Org.Biomol.Chem., 17, 2019
6JIQ
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BU of 6jiq by Molmil
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT6
分子名称: DNA (5'-D(*TP*TP*TP*TP*T)-3'), SP_0782
著者Fang, X, Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
登録日2019-02-22
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
6JIP
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Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT6
分子名称: DNA (5'-D(*TP*TP*TP*TP*T)-3'), PENTAETHYLENE GLYCOL, SP_0782
著者Fang, X, Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
登録日2019-02-22
公開日2019-11-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.659 Å)
主引用文献Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
6JK2
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BU of 6jk2 by Molmil
Crystal structure of a mini fungal lectin, PhoSL
分子名称: Lectin, SULFATE ION
著者Lou, Y.C, Chou, C.C, Yeh, H.H, Chien, C.Y, Sushant, S, Chen, C, Hsu, C.H.
登録日2019-02-27
公開日2020-03-04
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Structural insights into the role of N-terminal integrity in PhoSL for core-fucosylated N-glycan recognition.
Int.J.Biol.Macromol., 255, 2023
5YJ8
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Identification of a small molecule inhibitor for the Tudor domain of TDRD3
分子名称: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
著者Liu, J, Ruan, K.
登録日2017-10-09
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018

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