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6OMW
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Structure of Aedes aegypti OBP22 in the complex with palmitoleic acid
分子名称: AAEL005772-PA, MALONIC ACID, PALMITOLEIC ACID
著者Jones, D.N, Wang, J.
登録日2019-04-19
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6OX7
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BU of 6ox7 by Molmil
The complex of 1918 NS1-ED and the iSH2 domain of the human p85beta subunit of PI3K
分子名称: Non-structural protein 1, Phosphatidylinositol 3-kinase regulatory subunit beta
著者Shen, Q, Zhao, B, Li, P, Cho, J.H.
登録日2019-05-13
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Molecular recognition of a host protein by NS1 of pandemic and seasonal influenza A viruses.
Proc.Natl.Acad.Sci.USA, 117, 2020
6OPB
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BU of 6opb by Molmil
Structure of Aedes aegypti OBP22 in the complex with arachidic acid
分子名称: AAEL005772-PA, DIMETHYL SULFOXIDE, icosanoic acid
著者Jones, D.N, Wang, J.
登録日2019-04-24
公開日2019-05-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6OPK
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BU of 6opk by Molmil
Phosphorylated ERK2 with Vertex-11e
分子名称: 4-{2-[(2-chloro-4-fluorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1
著者Vigers, G.P, Rudolph, J.
登録日2019-04-25
公開日2019-07-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Activation loop dynamics are controlled by conformation-selective inhibitors of ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
6OTL
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BU of 6otl by Molmil
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
分子名称: AAEL005772-PA, BENZOIC ACID, HEXATANTALUM DODECABROMIDE, ...
著者Jones, D.N, Murphy, E.
登録日2019-05-03
公開日2019-06-12
最終更新日2020-05-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6OC2
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BU of 6oc2 by Molmil
CSP1-cyc(Orn6D10)
分子名称: Competence-stimulating peptide type 1
著者Yang, Y.
登録日2019-03-21
公開日2020-01-08
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P7A
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BU of 6p7a by Molmil
CRYSTAL STRUCTURE OF THE FOWLPOX VIRUS HOLLIDAY JUNCTION RESOLVASE
分子名称: CADMIUM ION, Holliday junction resolvase
著者Li, N, Shi, K, Banerjee, S, Rao, T, Aihara, H.
登録日2019-06-05
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.081 Å)
主引用文献Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase.
Sci Rep, 10, 2020
6PIB
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BU of 6pib by Molmil
Structure of the Klebsiella pneumoniae LpxH-AZ1 complex
分子名称: 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, TETRAETHYLENE GLYCOL, ...
著者Cho, J, Zhou, P.
登録日2019-06-26
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
6P2E
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BU of 6p2e by Molmil
Structure of Aedes aegypti OBP22 in the complex with benzaldehyde
分子名称: BENZOIC ACID, GLYCEROL, OBP22, ...
著者Jones, D.N, Murphy, E.
登録日2019-05-21
公開日2019-07-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aedes aegypti Odorant Binding Protein 22 selectively binds fatty acids through a conformational change in its C-terminal tail.
Sci Rep, 10, 2020
6P7B
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BU of 6p7b by Molmil
Crystal structure of Fowlpox virus resolvase and substrate Holliday junction DNA complex
分子名称: DNA (29-MER), Holliday junction resolvase
著者Li, N, Shi, K, Rao, T, Banerjee, S, Aihara, H.
登録日2019-06-05
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.317 Å)
主引用文献Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase.
Sci Rep, 10, 2020
6PGT
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BU of 6pgt by Molmil
Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, vanadate bound state
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-06-24
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6PHA
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BU of 6pha by Molmil
Protein Tyrosine Phosphatase 1B (1-301), F182A mutant, vanadate bound state
分子名称: ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, ...
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-06-25
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6POH
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BU of 6poh by Molmil
Crystal Structure of EcDsbA in complex alkyl ether 21
分子名称: (6-butoxy-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2019-07-03
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6PML
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BU of 6pml by Molmil
Crystal Structure of EcDsbA in complex benzyl ether 23
分子名称: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, Thiol:disulfide interchange protein DsbA, ...
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-02
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6PHS
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BU of 6phs by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P185A mutant, vanadate bound state
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-06-25
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.129 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6PFW
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BU of 6pfw by Molmil
Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, apo state
分子名称: ACETATE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-06-22
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6PIT
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BU of 6pit by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with SRC2 Stapled Peptide 41A and Estradiol
分子名称: ESTRADIOL, Estrogen receptor, Stapled Peptide 41A
著者Fanning, S.W, Montgomery, J.E, Greene, G.L, Moellering, R.E.
登録日2019-06-27
公開日2019-10-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Versatile Peptide Macrocyclization with Diels-Alder Cycloadditions.
J.Am.Chem.Soc., 141, 2019
6PG0
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BU of 6pg0 by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P188A mutant, vanadate bound state
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-06-23
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6PH9
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BU of 6ph9 by Molmil
Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Cho, J, Zhou, P.
登録日2019-06-25
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PJ3
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BU of 6pj3 by Molmil
Crystal structure of the Klebsiella pneumoniae LpxH/JH-LPH-33 complex
分子名称: 1,2-ETHANEDIOL, 1-[5-({4-[3-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, ...
著者Cho, J, Zhou, P.
登録日2019-06-27
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
6PM8
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BU of 6pm8 by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, vanadate bound state
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-07-01
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6PMF
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BU of 6pmf by Molmil
Crystal Structure of EcDsbA in complex with aniline 15
分子名称: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, [6-(phenylamino)-1-benzofuran-3-yl]acetic acid
著者Ilyichova, O.V, Scanlon, M.J.
登録日2019-07-01
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019
6PNX
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BU of 6pnx by Molmil
Crystal Structure of an Asymmetric Dimer of FGF Receptor 3 Kinases Trapped in A-loop Tyrosine Transphosphorylation Reaction
分子名称: Fibroblast growth factor receptor 3, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
著者Mohammadi, M.
登録日2019-07-03
公開日2020-01-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Molecular basis for receptor tyrosine kinase A-loop tyrosine transphosphorylation.
Nat.Chem.Biol., 16, 2020
6PK9
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BU of 6pk9 by Molmil
Solution Structure of lncRNA (LINK-A) 20-nt Hexaloop Hairpin
分子名称: RNA (5'-R(*GP*GP*AP*GP*GP*GP*UP*AP*GP*AP*CP*UP*CP*GP*CP*UP*CP*UP*CP*C)-3')
著者Amado, A.Y, Walker, M, Varani, G.
登録日2019-06-28
公開日2020-07-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the lncRNA LINK-A Hexaloop Hairpin in PI(3,4,5)P3 Interaction
To Be Published
6POI
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BU of 6poi by Molmil
Crystal Structure of EcDsbA in complex phenyl ether 25
分子名称: (6-phenoxy-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2019-07-04
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.
Molecules, 24, 2019

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