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6OA1
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Structure of human PARG complexed with JA2120
分子名称: 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase
著者Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A.
登録日2019-03-15
公開日2019-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
7PX6
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PARP15 catalytic domain in complex with OUL241
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-[(2-fluorophenyl)methoxy]phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-10-08
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
7PWQ
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PARP15 catalytic domain in complex with OUL240
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(cyclohexylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-10-07
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
7PX7
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BU of 7px7 by Molmil
PARP15 catalytic domain in complex with OUL242
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(thiophen-2-ylmethoxy)phthalazine-1,4-dione, Protein mono-ADP-ribosyltransferase PARP15
著者Maksimainen, M.M, Lehtio, L.
登録日2021-10-08
公開日2022-05-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Potent 2,3-dihydrophthalazine-1,4-dione derivatives as dual inhibitors for mono-ADP-ribosyltransferases PARP10 and PARP15.
Eur.J.Med.Chem., 237, 2022
7Q0V
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Lysozyme soaked with V(IV)OSO4 and phen
分子名称: 1,10-PHENANTHROLINE, ACETATE ION, CHLORIDE ION, ...
著者Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C.
登録日2021-10-16
公開日2022-05-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications.
Chemistry, 28, 2022
7PZG
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BU of 7pzg by Molmil
Phocaeicola vulgatus sialic acid esterase at 1.44 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, Lysophospholipase L1, MAGNESIUM ION, ...
著者Scott, H, Armstrong, Z, Davies, G.J.
登録日2021-10-12
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献The structure of Phocaeicola vulgatus sialic acid acetylesterase.
Acta Crystallogr D Struct Biol, 78, 2022
7PZ7
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Structure of an LPMO at 1.13x10^6 Gy
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACRYLIC ACID, ...
著者Tandrup, T, Muderspach, S.J, Ipsen, J.O, Johansen, K.S, Lo Leggio, L.
登録日2021-10-11
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
8R8P
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Solution structure of SMN-CX bound to the RNA helix formed upon SMN2 exon7 5'-splice site recognition
分子名称: 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline, RNA (5'-R(*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3')
著者Malard, F, Campagne, S.
登録日2023-11-29
公開日2024-03-06
最終更新日2024-05-22
実験手法SOLID-STATE NMR
主引用文献The diversity of splicing modifiers acting on A-1 bulged 5'-splice sites reveals rules for rational drug design.
Nucleic Acids Res., 52, 2024
6PGE
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BU of 6pge by Molmil
WDR5delta32 bound to ethyl 3-(4-(hydroxymethyl)-1H-imidazol-2-yl)propanoate
分子名称: 1,2-ETHANEDIOL, SULFATE ION, WD repeat-containing protein 5, ...
著者Dennis, M.L, Peat, T.S.
登録日2019-06-24
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
9DE7
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BU of 9de7 by Molmil
Structure of full-length HIV TAR RNA G16A/A17G
分子名称: RNA (58-MER)
著者Bou-Nader, C, Zhang, J.
登録日2024-08-28
公開日2025-03-12
最終更新日2025-03-19
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structures of complete HIV-1 TAR RNA portray a dynamic platform poised for protein binding and structural remodeling.
Nat Commun, 16, 2025
6P58
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BU of 6p58 by Molmil
Dark and Steady State-Illuminated Crystal Structure of Cyanobacteriochrome Receptor PixJ at 150K
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Methyl-accepting chemotaxis protein, ...
著者Clinger, J.A, Miller, M.D, Buirgie, E.S, Vierstra, R.D, Phillips Jr, G.N.
登録日2019-05-29
公開日2019-12-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Photoreversible interconversion of a phytochrome photosensory module in the crystalline state.
Proc.Natl.Acad.Sci.USA, 117, 2020
4W79
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BU of 4w79 by Molmil
Crystal Structure of Human Protein N-terminal Glutamine Amidohydrolase
分子名称: 1,2-ETHANEDIOL, CARBONATE ION, Protein N-terminal glutamine amidohydrolase, ...
著者Bitto, E, Bingman, C.A, McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2014-08-21
公開日2014-09-17
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of human protein N-terminal glutamine amidohydrolase, an initial component of the N-end rule pathway.
Plos One, 9, 2014
9R9E
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BU of 9r9e by Molmil
Recombinant human butyrylcholinesterase in complex with N-(3-methoxypropyl)-N-{[1-(prop-2-yn-1-yl)pyrrolidin-3-yl]methyl}naphthalene-2-sulfonamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Brazzolotto, X, Kosak, U, Nachon, F, Gobec, S.
登録日2025-05-20
公開日2025-08-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献N-Propargylpyrrolidine-based butyrylcholinesterase and monoamine oxidase inhibitors.
Chem.Biol.Interact., 420, 2025
4UTR
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BU of 4utr by Molmil
Crystal structure of zebrafish Sirtuin 5 in complex with glutarylated CPS1-peptide
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLUTARIC ACID, ...
著者Pannek, M, Gertz, M, Steegborn, C.
登録日2014-07-22
公開日2014-08-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors.
Angew.Chem.Int.Ed.Engl., 53, 2014
4UV6
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BU of 4uv6 by Molmil
Crystal structure of apical membrane antigen 1 from Plasmodium knowlesi
分子名称: APICAL MEROZOITE ANTIGEN 1
著者Vulliez-Le Normand, B, Saul, F.A, Bentley, G.A.
登録日2014-08-04
公開日2015-04-29
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of Plasmodium Knowlesi Apical Membrane Antigen 1 and its Complex with an Invasion-Inhibitory Monoclonal Antibody.
Plos One, 10, 2015
9IZV
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BU of 9izv by Molmil
Cryo-EM structure of ALDH6A1-Y172H & R535C
分子名称: Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial
著者Su, G, Xu, Y, Luan, X.
登録日2024-08-01
公開日2024-11-27
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structural and biochemical basis for the pathogenic mutations of methylmalonate semialdehyde dehydrogenase ALDH6A1
Medicine Plus, 1, 2024
9IZX
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Cryo-EM structure of ALDH6A1-G446R
分子名称: Methylmalonate-semialdehyde/malonate-semialdehyde dehydrogenase [acylating], mitochondrial
著者Su, G, Xu, Y, Luan, X.
登録日2024-08-01
公開日2024-11-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural and biochemical basis for the pathogenic mutations of methylmalonate semialdehyde dehydrogenase ALDH6A1
Medicine Plus, 1, 2024
8CKW
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BU of 8ckw by Molmil
HIV-1 mature capsid pentamer from CA-IP6 CLPs
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CKV
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HIV-1 mature capsid hexamer from CA-IP6 CLPs
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CL1
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BU of 8cl1 by Molmil
HIV-1 mature capsid hexamer from CA-IP6 CLPs, bound to CPSF6 peptide.
分子名称: Cleavage and polyadenylation specificity factor subunit 6, Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CL0
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BU of 8cl0 by Molmil
HIV-1 mature capsid hexamer next to pentamer (type I) from CA-IP6 CLPs bound to Nup153 peptide.
分子名称: Gag polyprotein, Nuclear pore complex protein Nup153
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
4W9Q
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The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F.
登録日2014-08-27
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
8CKX
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HIV-1 mature capsid hexamer next to pentamer (type I) from CA-IP6 CLPs
分子名称: Gag polyprotein
著者Stacey, J.C.V, Briggs, J.A.G.
登録日2023-02-16
公開日2023-04-26
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Two structural switches in HIV-1 capsid regulate capsid curvature and host factor binding.
Proc.Natl.Acad.Sci.USA, 120, 2023
6VO5
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BU of 6vo5 by Molmil
Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4
分子名称: ACETATE ION, GLYCEROL, Histone H4, ...
著者Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2020-01-30
公開日2020-03-11
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Human histone acetytransferas 1 (HAT1) in complex with isobutryl-COA and K12A mutant variant of histone H4
to be published
8CCZ
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Crystal structure of human Sirt3 in complex with an inhibiting HIV1 Tat-37-59 peptide
分子名称: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
著者Adolph, R.S, Steegborn, C.
登録日2023-01-28
公開日2023-05-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein.
Life, 13, 2023

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件を2025-10-15に公開中

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