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8BQ2
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BU of 8bq2 by Molmil
CryoEM structure of the pre-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (30-MER), ...
著者Appleby, R, Bollschweiler, D, Pellegrini, L.
登録日2022-11-18
公開日2023-05-03
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023
8BHY
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BU of 8bhy by Molmil
DNA-PK Ku80 mediated dimer bound to PAXX and XLF
分子名称: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
著者Hardwick, S.W, Chaplin, A.K.
登録日2022-11-01
公開日2023-06-07
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (5.33 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
8BHV
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BU of 8bhv by Molmil
DNA-PK XLF mediated dimer bound to PAXX
分子名称: DNA (24-MER), DNA (26-MER), DNA (27-MER), ...
著者Hardwick, S.W, Chaplin, A.K.
登録日2022-11-01
公開日2023-06-07
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.51 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
8BH3
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BU of 8bh3 by Molmil
DNA-PK Ku80 mediated dimer bound to PAXX
分子名称: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
著者Hardwick, S.W, Chaplin, A.K.
登録日2022-10-28
公開日2023-06-07
最終更新日2023-06-14
実験手法ELECTRON MICROSCOPY (4.55 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
8BHR
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BU of 8bhr by Molmil
GABA-A receptor a5 homomer - a5V3 - RO7015738
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide, Gamma-aminobutyric acid receptor subunit alpha-5
著者Miller, P.S, Malinauskas, T.M, Kasaragod, V.B.
登録日2022-10-31
公開日2023-11-01
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHQ
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BU of 8bhq by Molmil
GABA-A receptor a5 homomer - a5V3 - RO7172670
分子名称: 2-[[5-methyl-3-(6-methylpyridazin-3-yl)-1,2-oxazol-4-yl]methyl]-5-(5-oxa-2-azaspiro[3.5]nonan-2-yl)pyridazin-3-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5
著者Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Kasaragod, V.B.
登録日2022-10-31
公開日2023-11-01
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BGI
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BU of 8bgi by Molmil
GABA-A receptor a5 homomer - a5V1 - Flumazenil
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, Pregnanolone, ...
著者Miller, P.S, Malinauskas, T.M, Omari, K.E, Aricescu, A.R.
登録日2022-10-27
公開日2023-11-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
8BHG
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BU of 8bhg by Molmil
GABA-A receptor a5 heteromer - a5V2 - Bretazenil
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bretazenil, DECYL-BETA-D-MALTOPYRANOSIDE, ...
著者Miller, P.S, Malinauskas, T.M, Omari, K.E, Aricescu, A.R.
登録日2022-10-31
公開日2023-11-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors.
Nat.Struct.Mol.Biol., 30, 2023
3SP8
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BU of 3sp8 by Molmil
Crystal structure of NK2 in complex with fractionated Heparin DP10
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Recacha, R, Mulloy, B, Gherardi, E.
登録日2011-07-01
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Crystal structure of NK2 in complex with fractionated Heparin DP10
TO BE PUBLISHED
4KG0
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BU of 4kg0 by Molmil
Crystal structure of the drosophila melanogaster neuralized-nhr1 domain
分子名称: MAGNESIUM ION, Protein neuralized
著者Gupta, D, Ehebauer, M.T, Chirgadze, D.Y, Bolanos-Garcia, V.M, Blundell, T.L.
登録日2013-04-28
公開日2014-01-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure, biochemical and biophysical characterisation of NHR1 domain of E3 Ubiquitin ligase neutralized
Advances in Enzyme Research, 1, 2013
2C45
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BU of 2c45 by Molmil
NATIVE PRECURSOR OF PYRUVOYL DEPENDENT ASPARTATE DECARBOXYLASE
分子名称: Aspartate 1-decarboxylase
著者Gopalan, G, Chopra, S, Ranganathan, A, Swaminathan, K.
登録日2005-10-15
公開日2007-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal structure of uncleaved L-aspartate-alpha-decarboxylase from Mycobacterium tuberculosis.
Proteins, 65, 2006
5DFB
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BU of 5dfb by Molmil
Crystal structure of BRD2(BD2) mutant W370F in the free form
分子名称: Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ...
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2015-08-26
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
5DFD
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BU of 5dfd by Molmil
Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound
分子名称: Bromodomain-containing protein 2, GLYCEROL, methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2015-08-26
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
5DFC
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BU of 5dfc by Molmil
Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound
分子名称: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 2, GLYCEROL, ...
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2015-08-26
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
4QEU
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BU of 4qeu by Molmil
Crystal structure of BRD2(BD2) mutant in free form
分子名称: ACETATE ION, Bromodomain-containing protein 2, GLYCEROL
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2014-05-19
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
4QF3
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BU of 4qf3 by Molmil
Crystal structure of human BAZ2B PHD zinc finger in the free form
分子名称: Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION
著者Tallant, C, Van Molle, I, Chirgadze, D.Y, Ciulli, A.
登録日2014-05-19
公開日2014-07-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
4QEW
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BU of 4qew by Molmil
Crystal structure of BRD2(BD2) mutant with ligand ET bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]BUTANOATE)
分子名称: Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ...
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2014-05-19
公開日2014-10-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
4QF2
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BU of 4qf2 by Molmil
Crystal structure of human BAZ2A PHD zinc finger in the free form
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ...
著者Tallant, C, Overvoorde, L, Van Molle, I, Chirgadze, D.Y, Ciulli, A.
登録日2014-05-19
公開日2014-07-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
4QEV
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BU of 4qev by Molmil
Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE)
分子名称: Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ...
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2014-05-19
公開日2014-10-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014

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