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5EAD
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BU of 5ead by Molmil
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor S-desthio-prothioconazole
分子名称: (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
著者Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C.
登録日2015-10-16
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
8JQ1
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BU of 8jq1 by Molmil
Solution NMR Structure of zinc fingers 1-2 (fragment 257-320) from human insulinoma-associated protein 1(INSM1)
分子名称: Insulinoma-associated protein 1, ZINC ION
著者He, X.L, Yang, Y.H.
登録日2023-06-13
公開日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of zinc fingers 1-2 (fragment 257-320) from human insulinoma-associated protein 1(INSM1)
To Be Published
5OB0
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BU of 5ob0 by Molmil
Crystal structure of the c-Src-SH3 domain Q128E mutant in complex with the high affinity peptide APP12
分子名称: APP12, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION
著者Camara-Artigas, A.
登録日2017-06-25
公開日2017-07-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.172 Å)
主引用文献Crystal structure of the c-Src-SH3 domain Q128E mutant in complex with the high affinity peptide APP12
to be published
5OB6
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BU of 5ob6 by Molmil
X-ray structure of the adduct formed upon reaction of lysozyme with the compound fac-[RuII(CO)3Cl2(N3-IM), IM=imidazole
分子名称: CHLORIDE ION, GLYCEROL, Lysozyme C, ...
著者Pontillo, N, Ferraro, G, Merlino, A.
登録日2017-06-26
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
5OBD
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BU of 5obd by Molmil
X-ray structure of the adduct formed upon reaction of ribonuclease A with the compound fac-[RuII(CO)3Cl2(N3-MIM), MIM=methyl-imidazole
分子名称: PHOSPHATE ION, Ribonuclease pancreatic, tris(oxidaniumylidynemethyl)-tris(oxidanyl)ruthenium
著者Pontillo, N, Ferraro, G, Merlino, A.
登録日2017-06-26
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Ru-Based CO releasing molecules with azole ligands: interaction with proteins and the CO release mechanism disclosed by X-ray crystallography.
Dalton Trans, 46, 2017
5OCO
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BU of 5oco by Molmil
Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
分子名称: CITRIC ACID, DI(HYDROXYETHYL)ETHER, GTPase KRas, ...
著者Cruz-Migoni, A, Ehebauer, M.T, Phillips, S.E.V, Quevedo, C.E, Rabbitts, T.H.
登録日2017-07-03
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.
Nat Commun, 9, 2018
5E4P
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BU of 5e4p by Molmil
X-ray Crystal Structure Analysis of Magnetically Oriented Microcrystals of Lysozyme at 1.8 angstrom Resolution
分子名称: Lysozyme C
著者Tsukui, S, Kimura, F, Garman, E.F, Baba, S, Mizuno, N, Mikami, B, Kimura, T.
登録日2015-10-06
公開日2016-08-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献X-ray crystal structure analysis of magnetically oriented microcrystals of lysozyme at 1.8 A resolution
J.Appl.Crystallogr., 49, 2016
5DR1
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BU of 5dr1 by Molmil
Endothiapepsin in complex with fragment 278
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Schiebel, J, Heine, A, Klebe, G.
登録日2015-09-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
5EAH
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BU of 5eah by Molmil
Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Difenoconazole
分子名称: 1-[[(2~{R},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, 1-[[(2~{S},4~{R})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole, ...
著者Tyndall, J.D.A, Sabherwal, M, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C.
登録日2015-10-16
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals.
PLoS ONE, 11, 2016
5EC7
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BU of 5ec7 by Molmil
Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0
分子名称: DI(HYDROXYETHYL)ETHER, Proto-oncogene tyrosine-protein kinase Src
著者Camara-Artigas, A.
登録日2015-10-20
公開日2016-11-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of a chimeric c-Src-SH3 domain with the sequence of the RT-loop from the Abl-SH3 domain at pH 5.0
to be published
5DZM
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BU of 5dzm by Molmil
HIV-1 Reverse Transcriptase RH domain
分子名称: Ribonuclease H
著者Pedersen, L.C, London, R.E, Gabel, S.A, Zheng, X.H.
登録日2015-09-25
公開日2016-05-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Unfolding the HIV-1 reverse transcriptase RNase H domain - how to lose a molecular tug-of-war.
Nucleic Acids Res., 44, 2016
8K3A
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BU of 8k3a by Molmil
SOD1 and Nanobody2 complex
分子名称: NB2, Superoxide dismutase [Cu-Zn], ZINC ION
著者Cheng, S.
登録日2023-07-14
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献SOD1 and Nanobody1 complex
To Be Published
8K3L
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BU of 8k3l by Molmil
SOD1 and Nanobody3 complex
分子名称: COPPER (II) ION, NB3, Superoxide dismutase [Cu-Zn], ...
著者Cheng, S, Liu, R, Ding, Y.
登録日2023-07-16
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献SOD1 and Nanobody1 complex
To Be Published
8K33
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BU of 8k33 by Molmil
SOD1 and Nanobody1 complex
分子名称: NB1, Superoxide dismutase [Cu-Zn], ZINC ION
著者Cheng, S.
登録日2023-07-14
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献SOD1 and Nanobody1 complex
To Be Published
5DMJ
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BU of 5dmj by Molmil
Structure of the extracellular domain of the CD40 in complex with 3H56-5 DAB
分子名称: 3H65-5 domain antibody (dAb), POTASSIUM ION, Tumor necrosis factor receptor superfamily member 5
著者Sheriff, S.
登録日2015-09-08
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Functional Antagonism of Human CD40 Achieved by Targeting a Unique Species-Specific Epitope.
J.Mol.Biol., 428, 2016
8HYI
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BU of 8hyi by Molmil
Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine
分子名称: 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ...
著者Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K.
登録日2023-01-06
公開日2023-08-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Modulation of a conformational ensemble by a small molecule that inhibits key protein-protein interactions involved in cell adhesion.
Protein Sci., 32, 2023
5E53
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BU of 5e53 by Molmil
Crystal structure of chicken CNTN1 FN1-FN3 domains
分子名称: Contactin-1, IMIDAZOLE
著者Nikolaienko, R.M, Bouyain, S.
登録日2015-10-07
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Structural Basis for Interactions Between Contactin Family Members and Protein-tyrosine Phosphatase Receptor Type G in Neural Tissues.
J.Biol.Chem., 291, 2016
8IQ0
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BU of 8iq0 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
著者Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
登録日2023-03-15
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
5BQB
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BU of 5bqb by Molmil
Crystal structure of Norrin, a Wnt signalling activator, Crystal Form III
分子名称: CHLORIDE ION, CITRIC ACID, Norrin
著者Chang, T.-H, Hsieh, F.-L, Harlos, K, Jones, E.Y.
登録日2015-05-28
公開日2015-07-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and functional properties of Norrin mimic Wnt for signalling with Frizzled4, Lrp5/6, and proteoglycan.
Elife, 4, 2015
5B85
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BU of 5b85 by Molmil
X-ray structure of ferric F138Y sperm whale myoglobin
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Yuan, H.
登録日2016-06-12
公開日2016-08-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Distinct roles of a tyrosine-associated hydrogen-bond network in fine-tuning the structure and function of heme proteins: two cases designed for myoglobin
Mol Biosyst, 12, 2016
8IBX
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BU of 8ibx by Molmil
Structure of R2 with 3'UTR and DNA in unwinding state
分子名称: 3'UTR, DNA (60-MER), Reverse transcriptase-like protein, ...
著者Deng, P, Tan, S, Wang, J, Liu, J.J.
登録日2023-02-10
公開日2023-09-20
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon.
Cell, 186, 2023
8IQ1
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BU of 8iq1 by Molmil
Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ...
著者Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C.
登録日2023-03-15
公開日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
8IA3
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BU of 8ia3 by Molmil
Crystal structure of human USF2 bHLHLZ domain in complex with DNA
分子名称: DNA (5'-D(*GP*CP*GP*CP*GP*TP*CP*AP*CP*GP*TP*GP*CP*CP*CP*GP*TP*C)-3'), DNA (5'-D(P*GP*AP*CP*GP*GP*GP*CP*AP*CP*GP*TP*GP*AP*CP*GP*CP*GP*C)-3'), Upstream stimulatory factor 2
著者Huang, C, Fang, P, Wang, J.
登録日2023-02-07
公開日2023-09-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Tetramerization of upstream stimulating factor USF2 requires the elongated bent leucine zipper of the bHLH-LZ domain.
J.Biol.Chem., 299, 2023
8IBW
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BU of 8ibw by Molmil
Structure of R2 with 3'UTR and DNA in binding state
分子名称: 3'UTR, DNA (60-MER), Reverse transcriptase-like protein, ...
著者Deng, P, Tan, S, Wang, J, Liu, J.J.
登録日2023-02-10
公開日2023-09-20
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon.
Cell, 186, 2023
8IBZ
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BU of 8ibz by Molmil
Structure of R2 with 5'ORF and 3'UTR
分子名称: 5ORF-linker-3UTR, Reverse transcriptase-like protein, ZINC ION
著者Deng, P, Tan, S, Wang, J, Liu, J.J.
登録日2023-02-10
公開日2023-09-20
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Structural RNA components supervise the sequential DNA cleavage in R2 retrotransposon.
Cell, 186, 2023

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件を2024-08-14に公開中

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