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6JTU
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BU of 6jtu by Molmil
Crystal structure of MHETase from Ideonella sakaiensis
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Sagong, H.-Y, Seo, H, Kim, K.-J.
登録日2019-04-12
公開日2020-04-15
最終更新日2020-10-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Decomposition of PET film by MHETase using Exo-PETase function
Acs Catalysis, 10, 2020
4UAY
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BU of 4uay by Molmil
DNA polymerase beta product complex with a templating adenine and inserted 8-oxodGMP, 40 s
分子名称: 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Freudenthal, B.D, Wilson, S.H, Beard, W.A.
登録日2014-08-11
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UAW
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BU of 4uaw by Molmil
DNA polymerase beta substrate complex with a templating adenine and incoming 8-oxodGTP, 0 s
分子名称: 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Freudenthal, B.D, Wilson, S.H, Beard, W.A.
登録日2014-08-11
公開日2014-11-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UB5
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BU of 4ub5 by Molmil
DNA polymerase beta substrate complex with a templating cytosine, incoming 8-oxodGTP, and Mn2+, 5 s
分子名称: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Freudenthal, B.D, Wilson, S.H, Beard, W.A.
登録日2014-08-11
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UB2
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BU of 4ub2 by Molmil
DNA polymerase beta product complex with a templating cytosine and 8-oxodGMP, 120 s
分子名称: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Freudenthal, B.D, Wilson, S.H, Beard, W.A.
登録日2014-08-11
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UB4
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BU of 4ub4 by Molmil
DNA polymerase beta substrate complex with a templating cytosine and incoming dGTP, 0 s
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ...
著者Freudenthal, B.D, Wilson, S.H, Beard, W.A.
登録日2014-08-11
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.954 Å)
主引用文献Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
4UB1
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BU of 4ub1 by Molmil
DNA polymerase beta product complex with a templating adenine and 8-oxodGMP, 90 s
分子名称: 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Freudenthal, B.D, Wilson, S.H, Beard, W.A.
登録日2014-08-11
公開日2014-11-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.341 Å)
主引用文献Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
6COK
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BU of 6cok by Molmil
Structure of the 2nd TOG domain from yeast CLASP protein STU1
分子名称: Protein STU1
著者Majumdar, S, Rice, L.M.
登録日2018-03-12
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献An isolated CLASP TOG domain suppresses microtubule catastrophe and promotes rescue.
Mol. Biol. Cell, 29, 2018
6EC7
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BU of 6ec7 by Molmil
Glutamylation domain, TbtB, from thiomuracin biosynthesis
分子名称: Lantibiotic dehydratase domain protein
著者Cogan, D.P, Nair, S.K.
登録日2018-08-07
公開日2019-08-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Characterization of glutamyl-tRNA-dependent dehydratases using nonreactive substrate mimics.
Proc.Natl.Acad.Sci.USA, 116, 2019
6EC8
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BU of 6ec8 by Molmil
Glutamylation domain, TbtB, from thiomuracin biosynthesis bound to 5'-phosphodesmethylglutamycin
分子名称: 3'-deoxy-3'-[(L-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate), Lantibiotic dehydratase domain protein
著者Cogan, D.P, Nair, S.K.
登録日2018-08-07
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.148 Å)
主引用文献Characterization of glutamyl-tRNA-dependent dehydratases using nonreactive substrate mimics.
Proc.Natl.Acad.Sci.USA, 116, 2019
6KZ7
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BU of 6kz7 by Molmil
The crystal structure of BAF155 SWIRM domain and N-terminal elongated hSNF5 RPT1 domain complex: Chromatin remodeling complex
分子名称: SWI/SNF complex subunit SMARCC1, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
著者Lee, W, Han, J, Kim, I, Park, J.H, Joo, K, Lee, J, Suh, J.Y.
登録日2019-09-23
公開日2020-07-08
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A Coil-to-Helix Transition Serves as a Binding Motif for hSNF5 and BAF155 Interaction.
Int J Mol Sci, 21, 2020
6LZP
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BU of 6lzp by Molmil
The solution structure of N-terminal elongated hSNF5 RPT1 domain
分子名称: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1
著者Lee, W, Han, J, Kim, I, Suh, J.Y.
登録日2020-02-19
公開日2020-12-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Coil-to-Helix Transition Serves as a Binding Motif for hSNF5 and BAF155 Interaction.
Int J Mol Sci, 21, 2020
6JCF
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BU of 6jcf by Molmil
Cryogenic structure of HIV-1 Integrase catalytic core domain by synchrotron
分子名称: CACODYLATE ION, Integrase
著者Park, J.H, Han, J, Kim, T.H, Yun, J.H, Lee, W.
登録日2019-01-28
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers.
Int J Mol Sci, 20, 2019
6JCG
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BU of 6jcg by Molmil
Room temperature structure of HIV-1 Integrase catalytic core domain by serial femtosecond crystallography.
分子名称: CACODYLATE ION, Integrase
著者Park, J.H, Shi, Y, Han, J, Li, X, Kim, T.H, Yun, J.H.
登録日2019-01-28
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Non-Cryogenic Structure and Dynamics of HIV-1 Integrase Catalytic Core Domain by X-ray Free-Electron Lasers.
Int J Mol Sci, 20, 2019
3IJ2
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BU of 3ij2 by Molmil
Ligand-receptor structure
分子名称: Beta-nerve growth factor, Nerve growth factor receptor (TNFR superfamily, member 16)
著者Feng, D, Garcia, K.C.
登録日2009-08-03
公開日2010-01-12
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (3.75 Å)
主引用文献Molecular and structural insight into proNGF engagement of p75NTR and sortilin.
J.Mol.Biol., 396, 2010
6M7Y
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BU of 6m7y by Molmil
Dehydratase, NisB, bound to a non-eliminable substrate analog
分子名称: Lantibiotic, Nisin biosynthesis protein NisB
著者Cogan, D.P, Nair, S.K.
登録日2018-08-21
公開日2019-08-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Characterization of glutamyl-tRNA-dependent dehydratases using nonreactive substrate mimics.
Proc.Natl.Acad.Sci.USA, 116, 2019
8R14
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BU of 8r14 by Molmil
Structure of compound 11 bound to SARS-CoV-2 main protease
分子名称: (5-chloranylpyridin-3-yl)-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]methanone, 3C-like proteinase, BROMIDE ION, ...
著者Mac Sweeney, A, Hazemann, J.
登録日2023-11-01
公開日2024-02-07
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.336 Å)
主引用文献Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches.
Rsc Med Chem, 15, 2024
8R16
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BU of 8r16 by Molmil
Structure of compound 12 bound to SARS-CoV-2 main protease
分子名称: 1,2-ETHANEDIOL, 1-[6,7-bis(chloranyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(5-methylpyridin-3-yl)ethanone, 3C-like proteinase, ...
著者Mac Sweeney, A, Hazemann, J.
登録日2023-11-01
公開日2024-02-07
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches.
Rsc Med Chem, 15, 2024
4SBV
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BU of 4sbv by Molmil
The REFINEMENT OF SOUTHERN BEAN MOSAIC VIRUS IN RECIPROCAL SPACE
分子名称: CALCIUM ION, SOUTHERN BEAN MOSAIC VIRUS COAT PROTEIN
著者Rossmann, M.G.
登録日1985-04-01
公開日1985-07-17
最終更新日2023-06-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Refined structure of southern bean mosaic virus at 2.9 A resolution.
J.Mol.Biol., 197, 1987
3FX5
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BU of 3fx5 by Molmil
Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography
分子名称: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, protease
著者Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R.
登録日2009-01-20
公開日2009-03-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography.
Proc.Natl.Acad.Sci.USA, 2009
5H2O
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BU of 5h2o by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 250 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5H2L
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BU of 5h2l by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 5.25 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5GTI
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BU of 5gti by Molmil
Native XFEL structure of photosystem II (two flash dataset)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2016-08-20
公開日2017-03-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
5H2N
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BU of 5h2n by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 95.2 us after photoexcitation
分子名称: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
著者Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
登録日2016-10-15
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5GTH
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BU of 5gth by Molmil
Native XFEL structure of photosystem II (dark dataset)
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Suga, M, Shen, J.R.
登録日2016-08-20
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017

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