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PDB: 1559 件

8SPE
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BU of 8spe by Molmil
Crystal structure of Bax core domain BH3-groove dimer - tetrameric fraction P31
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, ...
著者Miller, M.S, Cowan, A.D, Colman, P.M, Czabotar, P.E.
登録日2023-05-03
公開日2023-12-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SPZ
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BU of 8spz by Molmil
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with dioctanoyl phosphatidylserine
分子名称: Apoptosis regulator BAX, SULFATE ION
著者Cowan, A.D, Colman, P.M, Czabotar, P.E, Miller, M.S.
登録日2023-05-04
公開日2023-12-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SVK
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BU of 8svk by Molmil
Crystal structure of Bax D71N core domain BH3-groove dimer
分子名称: Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Miller, M.S, Czabotar, P.E, Colman, P.M.
登録日2023-05-16
公開日2023-12-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SPF
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BU of 8spf by Molmil
Crystal structure of Bax core domain BH3-groove dimer - hexameric fraction with 2-stearoyl lysoPC
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BAX, DODECANE, ...
著者Cowan, A.D, Miller, M.S, Czabotar, P.E, Colman, P.M.
登録日2023-05-03
公開日2023-12-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SRX
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BU of 8srx by Molmil
Crystal structure of BAK-BAX heterodimer with lysoPC
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BAX, Bcl-2 homologous antagonist/killer, ...
著者Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
登録日2023-05-07
公開日2023-12-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
8SRY
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BU of 8sry by Molmil
Crystal structure of BAK-BAX heterodimer with C12E8
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3,6,9,12,15-PENTAOXATRICOSAN-1-OL, ...
著者Brouwer, J.M, Czabotar, P.E, Colman, P.M, Miller, M.S.
登録日2023-05-08
公開日2023-12-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
5FH7
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BU of 5fh7 by Molmil
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18
分子名称: 1,2-ETHANEDIOL, 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one, Protein polybromo-1
著者Tallant, C, Sutherell, C.L, Siejka, P, Sorrell, F.J, Krojer, T, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Ley, S.V, Knapp, S.
登録日2015-12-21
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
J.Med.Chem., 59, 2016
5FZM
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BU of 5fzm by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid (N09989b) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-14
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 5-(2-Fluorophenyl)-1,3-Oxazole-4-Carboxylic Acid (N09989B) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZA
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BU of 5fza by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine (N10072a) (ligand modelled based on PANDDA event map)
分子名称: 1,2-ETHANEDIOL, 2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Pearce, N, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-12
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 2-Piperidin-4-Yloxy-5-(Trifluoromethyl)Pyridine (N10072A) (Ligand Modelled Based on Pandda Event Map)
To be Published
2HDP
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BU of 2hdp by Molmil
Solution Structure of Hdm2 RING Finger Domain
分子名称: Ubiquitin-protein ligase E3 Mdm2, ZINC ION
著者Kostic, M, Matt, T, Yamout-Martinez, M, Dyson, H.J, Wright, P.E.
登録日2006-06-20
公開日2006-11-21
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the Hdm2 C2H2C4 RING, a domain critical for ubiquitination of p53.
J.Mol.Biol., 363, 2006
3IO9
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BU of 3io9 by Molmil
BimL12Y in complex with Mcl-1
分子名称: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
著者Czabotar, P.E, Lee, E.F, Yang, H, Sleebs, B.E, Lessene, G, Colman, P.M, Smith, B.J, Fairlie, W.D.
登録日2009-08-14
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational changes in Bcl-2 pro-survival proteins determine their capacity to bind ligands.
J.Biol.Chem., 284, 2009
3FDM
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BU of 3fdm by Molmil
alpha/beta foldamer in complex with Bcl-xL
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator Bcl-X, alpha/beta-peptide foldamer
著者Fairlie, W.D, Lee, E.F, Smith, B.J, Czabotar, P.E, Colman, P.M, Sadowsky, J.D, Peterson-Kaufman, K.J, Gellman, S.H.
登録日2008-11-26
公開日2009-03-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献High-Resolution Structural Characterization of a Helical alpha/beta-Peptide Foldamer Bound to the Anti-Apoptotic Protein Bcl-x(L)
Angew.Chem.Int.Ed.Engl., 48, 2009
2GP8
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BU of 2gp8 by Molmil
NMR SOLUTION STRUCTURE OF THE COAT PROTEIN-BINDING DOMAIN OF BACTERIOPHAGE P22 SCAFFOLDING PROTEIN
分子名称: PROTEIN (SCAFFOLDING PROTEIN)
著者Sun, Y, Parker, M.H, Weigele, P, Casjens, S, Prevelige Jr, P.E, Krishna, N.R.
登録日1999-05-11
公開日1999-05-17
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structure of the coat protein-binding domain of the scaffolding protein from a double-stranded DNA virus.
J.Mol.Biol., 297, 2000
2D3D
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BU of 2d3d by Molmil
crystal structure of the RNA binding SAM domain of saccharomyces cerevisiae Vts1
分子名称: CALCIUM ION, Vts1 protein
著者Aviv, T, Amborski, A.N, Zhao, X.S, Kwan, J.J, Johnson, P.E, Sicheri, F, Donaldson, L.W.
登録日2005-09-27
公開日2006-02-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The NMR and X-ray Structures of the Saccharomyces cerevisiae Vts1 SAM Domain Define a Surface for the Recognition of RNA Hairpins
J.Mol.Biol., 356, 2006
1U2N
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BU of 1u2n by Molmil
Structure CBP TAZ1 Domain
分子名称: CREB binding protein, ZINC ION
著者De Guzman, R.N, Wojciak, J.M, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E.
登録日2004-07-19
公開日2005-04-26
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献CBP/p300 TAZ1 domain forms a structured scaffold for ligand binding
Biochemistry, 44, 2005
7PGE
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BU of 7pge by Molmil
copper transporter PcoB
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Copper resistance protein B, LAURYL DIMETHYLAMINE-N-OXIDE, ...
著者Li, P, Gourdon, P.E.
登録日2021-08-13
公開日2022-07-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献PcoB is a defense outer membrane protein that facilitates cellular uptake of copper.
Protein Sci., 31, 2022
6G5P
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BU of 6g5p by Molmil
Crystal structure of human SP100 in complex with bromodomain-focused fragment FM009493b 2,3-Dimethoxy-2,3-dimethyl-2,3-dihydro-1,4-benzodioxin-6-amine
分子名称: (2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2018-03-29
公開日2018-04-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018
7PQX
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BU of 7pqx by Molmil
Structure of CtAtm1 in the inward-facing open conformation
分子名称: Putative iron-sulfur protein
著者Li, P, Wang, K.T, Gourdon, P.E.
登録日2021-09-20
公開日2022-08-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structures of Atm1 provide insight into [2Fe-2S] cluster export from mitochondria.
Nat Commun, 13, 2022
7PSD
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BU of 7psd by Molmil
Structure of CtAtm1(E603Q) in the inward-facing open conformation
分子名称: Putative iron-sulfur protein
著者Li, P, Wang, K.T, Gourdon, P.E.
登録日2021-09-22
公開日2022-08-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of Atm1 provide insight into [2Fe-2S] cluster export from mitochondria.
Nat Commun, 13, 2022
7PRO
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BU of 7pro by Molmil
Structure of CtAtm1 in the inward-open with Glutathione-complexed [2Fe-2S] cluster bound
分子名称: Putative iron-sulfur protein
著者Li, P, Wang, K.T, Gourdon, P.E.
登録日2021-09-22
公開日2022-08-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of Atm1 provide insight into [2Fe-2S] cluster export from mitochondria.
Nat Commun, 13, 2022
7PR1
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BU of 7pr1 by Molmil
Structure of CtAtm1 in the occluded conformation with ATP bound
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Putative iron-sulfur protein
著者Li, P, Wang, K.T, Gourdon, P.E.
登録日2021-09-20
公開日2022-08-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.81 Å)
主引用文献Structures of Atm1 provide insight into [2Fe-2S] cluster export from mitochondria.
Nat Commun, 13, 2022
7PRU
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BU of 7pru by Molmil
Structure of CtAtm1 in the inward-facing partially occluded with cargo bound
分子名称: GLUTATHIONE, Putative iron-sulfur protein
著者Li, P, Wang, K.T, Gourdon, P.E.
登録日2021-09-22
公開日2022-08-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of Atm1 provide insight into [2Fe-2S] cluster export from mitochondria.
Nat Commun, 13, 2022
1TOT
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BU of 1tot by Molmil
ZZ Domain of CBP- a Novel Fold for a Protein Interaction Module
分子名称: CREB-binding protein, ZINC ION
著者Legge, G.B, Martinez-Yamout, M.A, Hambly, D.M, Trinh, T, Dyson, H.J, Wright, P.E.
登録日2004-06-15
公開日2005-01-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献ZZ domain of CBP: an unusual zinc finger fold in a protein interaction module
J.Mol.Biol., 343, 2004
2PCO
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BU of 2pco by Molmil
Spatial Structure and Membrane Permeabilization for Latarcin-1, a Spider Antimicrobial Peptide
分子名称: Latarcin-1
著者Dubovskii, P.V, Volynsky, P.E, Polyansky, A.A, Chupin, V.V, Efremov, R.G, Arseniev, A.S.
登録日2007-03-30
公開日2008-03-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Three-dimensional structure/hydrophobicity of latarcins specifies their mode of membrane activity.
Biochemistry, 47, 2008
6G5N
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Crystal structure of human SP100 in complex with bromodomain-focused fragment XS039818e 1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
分子名称: (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Talon, R.P.H, Krojer, T, Tallant, C, Nunez-Alonso, G, Fairhead, M, Szykowska, A, Collins, P, Pearce, N.M, Ng, J, MacLean, E, Wright, N, Douangamath, A, Brandao-Neto, J, Burgess-Brown, N, Huber, K, Knapp, S, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F.
登録日2018-03-29
公開日2018-04-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.765 Å)
主引用文献Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Biorxiv, 2018

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件を2024-07-24に公開中

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