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4E0Y
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BU of 4e0y by Molmil
Protelomerase tela covalently complexed with mutated substrate DNA
分子名称: DNA (5'-D(*CP*AP*TP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*T)-3'), DNA (5'-D(*CP*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*AP*TP*G)-3'), GLYCEROL, ...
著者Shi, K, Aihara, H.
登録日2012-03-05
公開日2013-02-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
4DWP
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BU of 4dwp by Molmil
SeMet protelomerase tela covalently complexed with substrate DNA
分子名称: DNA (5'-D(*CP*AP*TP*GP*AP*TP*AP*TP*TP*GP*TP*TP*AP*TP*TP*GP*TP*AP*A)-3'), DNA (5'-D(*TP*TP*AP*CP*AP*AP*TP*AP*AP*CP*AP*AP*TP*AP*T)-3'), Protelomerase, ...
著者Shi, K, Aihara, H.
登録日2012-02-26
公開日2013-02-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献An enzyme-catalyzed multistep DNA refolding mechanism in hairpin telomere formation.
Plos Biol., 11, 2013
4EP4
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BU of 4ep4 by Molmil
Thermus thermophilus RuvC structure
分子名称: Crossover junction endodeoxyribonuclease RuvC, GLYCEROL, MAGNESIUM ION
著者Chen, L, Shi, K, Yin, Z.Q, Aihara, H.
登録日2012-04-17
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structural asymmetry in the Thermus thermophilus RuvC dimer suggests a basis for sequential strand cleavages during Holliday junction resolution.
Nucleic Acids Res., 41, 2013
7JT4
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BU of 7jt4 by Molmil
Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan
分子名称: Nucleosome-remodeling factor subunit BPTF
著者Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
登録日2020-08-17
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
4EP5
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BU of 4ep5 by Molmil
Thermus thermophilus RuvC structure
分子名称: Crossover junction endodeoxyribonuclease RuvC, GLYCEROL, SULFATE ION
著者Chen, L, Shi, K, Yin, Z.Q, Aihara, H.
登録日2012-04-17
公開日2012-11-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural asymmetry in the Thermus thermophilus RuvC dimer suggests a basis for sequential strand cleavages during Holliday junction resolution.
Nucleic Acids Res., 41, 2013
4F1I
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BU of 4f1i by Molmil
Crystal structure of SeMet TDP2 from Caenorhabditis elegans
分子名称: 5'-tyrosyl-DNA phosphodiesterase, GLYCEROL
著者Shi, K, Kurahashi, K, Aihara, H.
登録日2012-05-07
公開日2012-10-31
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2.
Nat.Struct.Mol.Biol., 19, 2012
4F1H
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BU of 4f1h by Molmil
Crystal structure of TDP2 from Danio rerio complexed with a single strand DNA
分子名称: DNA (5'-D(P*TP*GP*CP*AP*G)-3'), GLYCEROL, MAGNESIUM ION, ...
著者Shi, K, Kurahashi, K, Aihara, H.
登録日2012-05-06
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.662 Å)
主引用文献Structural basis for recognition of 5'-phosphotyrosine adducts by Tdp2.
Nat.Struct.Mol.Biol., 19, 2012
7K33
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BU of 7k33 by Molmil
Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with an abasic lesion at the active site
分子名称: DNA (27-MER), Endonuclease Q, MAGNESIUM ION, ...
著者Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H.
登録日2020-09-10
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
7K30
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BU of 7k30 by Molmil
Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with dU at the active site
分子名称: 1,2-ETHANEDIOL, DNA (27-MER), Endonuclease Q, ...
著者Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H.
登録日2020-09-10
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
7K32
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BU of 7k32 by Molmil
Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with an abasic lesion at the active site
分子名称: DNA (27-MER), Endonuclease Q, MAGNESIUM ION, ...
著者Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H.
登録日2020-09-10
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
7JN3
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BU of 7jn3 by Molmil
Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048
分子名称: (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ...
著者Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P.
登録日2020-08-03
公開日2021-03-17
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome.
Commun Biol, 4, 2021
7K31
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BU of 7k31 by Molmil
Crystal structure of Endonuclease Q complex with 27-mer duplex substrate with dI at the active site
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (27-MER), ...
著者Shi, K, Moeller, N.M, Banerjee, S, Yin, L, Orellana, K, Aihara, H.
登録日2020-09-10
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structural basis for recognition of distinct deaminated DNA lesions by endonuclease Q.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KM5
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BU of 7km5 by Molmil
Crystal structure of SARS-CoV-2 RBD complexed with Nanosota-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Spike protein S1, ...
著者Ye, G, Shi, K, Aihara, H, Li, F.
登録日2020-11-02
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The development of Nanosota - 1 as anti-SARS-CoV-2 nanobody drug candidates.
Elife, 10, 2021
7KUI
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BU of 7kui by Molmil
Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048. CIC region of a cluster identified by 3-dimensional variability analysis in cryoSPARC.
分子名称: (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ...
著者Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P.
登録日2020-11-25
公開日2021-03-17
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome.
Commun Biol, 4, 2021
7KU7
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BU of 7ku7 by Molmil
Cryo-EM structure of Rous sarcoma virus cleaved synaptic complex (CSC) with HIV-1 integrase strand transfer inhibitor MK-2048. Cluster identified by 3-dimensional variability analysis in cryoSPARC.
分子名称: (6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide, DNA (5'-D(*AP*AP*TP*GP*TP*TP*GP*TP*CP*TP*TP*AP*TP*GP*CP*AP*AP*T)-3'), DNA (5'-D(*AP*TP*TP*GP*CP*AP*TP*AP*AP*GP*AP*CP*AP*AP*CP*A)-3'), ...
著者Pandey, K.K, Bera, S, Shi, K, Aihara, H, Grandgenett, D.P.
登録日2020-11-24
公開日2021-03-17
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structure of the Rous sarcoma virus octameric cleaved synaptic complex intasome.
Commun Biol, 4, 2021
7M8R
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BU of 7m8r by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with fluorosubstituted tryptophans
分子名称: 1,1,1-tris(fluoranyl)propan-2-one, 1,2-ETHANEDIOL, BENZOIC ACID, ...
著者Johns, J.C, Banerjee, R, Shi, K, Semonis, M.M, Aihara, H, Pomerantz, W.C.K, Lipscomb, J.D.
登録日2021-03-30
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Soluble Methane Monooxygenase Component Interactions Monitored by 19 F NMR.
Biochemistry, 60, 2021
7M8Q
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BU of 7m8q by Molmil
Complex structure of Methane monooxygenase hydroxylase and regulatory subunit with fluorosubstituted tryptophans
分子名称: 1,2-ETHANEDIOL, BENZOIC ACID, FE (III) ION, ...
著者Johns, J.C, Banerjee, R, Shi, K, Semonis, M.M, Aihara, H, Pomerantz, W.C.K, Lipscomb, J.D.
登録日2021-03-30
公開日2021-07-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Soluble Methane Monooxygenase Component Interactions Monitored by 19 F NMR.
Biochemistry, 60, 2021
7M2E
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BU of 7m2e by Molmil
Crystal structure of BPTF bromodomain in complex with CB02-092
分子名称: 4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF
著者Nithianantham, S, Fischer, M.
登録日2021-03-16
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition
J.Med.Chem., 64, 2021
8FZC
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BU of 8fzc by Molmil
HIV-2 Gag Capsid from Immature Virus-like Particles
分子名称: Spacer peptide 2
著者Talledge, N, Zhang, W, Mansky, L.M.
登録日2023-01-28
公開日2023-06-07
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (5.5 Å)
主引用文献HIV-2 Immature Particle Morphology Provides Insights into Gag Lattice Stability and Virus Maturation.
J.Mol.Biol., 435, 2023
2NBU
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BU of 2nbu by Molmil
Solution structure of the Rad23 ubiquitin-like (UBL) domain
分子名称: UV excision repair protein RAD23
著者Chen, X, Walters, K.J.
登録日2016-03-12
公開日2016-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome.
Structure, 24, 2016
6Q1M
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BU of 6q1m by Molmil
Crystal structure of the wheat dwarf virus Rep domain
分子名称: GLYCEROL, Replication-associated protein
著者Litzau, L.A, Everett, B.A, Evans III, R.L, Shi, K, Tompkins, K, Gordon, W.R.
登録日2019-08-05
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal structure of the Wheat dwarf virus Rep domain.
Acta Crystallogr.,Sect.F, 75, 2019
2NBW
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BU of 2nbw by Molmil
Solution structure of the Rpn1 T1 site with the Rad23 UBL domain
分子名称: 26S proteasome regulatory subunit RPN1, UV excision repair protein RAD23
著者Chen, X, Walters, K.J.
登録日2016-03-14
公開日2016-07-20
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome.
Structure, 24, 2016
2NBV
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BU of 2nbv by Molmil
Solution structure of the Rpn13 Pru domain engaging the hPLIC2 UBL domain
分子名称: Proteasomal ubiquitin receptor ADRM1, Ubiquilin-2
著者Chen, X, Walters, K.J.
登録日2016-03-12
公開日2016-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures of Rpn1 T1:Rad23 and hRpn13:hPLIC2 Reveal Distinct Binding Mechanisms between Substrate Receptors and Shuttle Factors of the Proteasome.
Structure, 24, 2016
6CA4
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BU of 6ca4 by Molmil
Crystal structure of humanized D. rerio TDP2 by 14 mutations
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ...
著者Shi, K, Aihrara, H.
登録日2018-01-29
公開日2018-05-02
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.623 Å)
主引用文献New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2).
Eur J Pharm Sci, 118, 2018
6WDZ
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BU of 6wdz by Molmil
Porcine circovirus 2 Rep domain complexed with a single-stranded DNA 10-mer comprising the cleavage site
分子名称: 1,2-ETHANEDIOL, ATP-dependent helicase Rep, DNA (5'-D(*TP*AP*GP*TP*AP*TP*TP*AP*CP*C)-3'), ...
著者Litzau, L.A, Tompkins, K, Shi, K, Nelson, A, Evans III, R.L, Gordon, W.R.
登録日2020-04-01
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Molecular underpinnings of ssDNA specificity by Rep HUH-endonucleases and implications for HUH-tag multiplexing and engineering.
Nucleic Acids Res., 49, 2021

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件を2024-08-21に公開中

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