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7OTV
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BU of 7otv by Molmil
DNA-PKcs in complex with wortmannin
分子名称: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7OTM
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BU of 7otm by Molmil
Cryo-EM structure of DNA-PKcs in complex with NU7441
分子名称: 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7OTW
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BU of 7otw by Molmil
DNA-PKcs in complex with AZD7648
分子名称: 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2022-02-09
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7PC0
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BU of 7pc0 by Molmil
GABA-A receptor bound by a-Cobratoxin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-cobratoxin, ...
著者Kasaragod, V.B, Miller, P.S.
登録日2021-08-03
公開日2022-02-09
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors.
Nature, 602, 2022
7PBD
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BU of 7pbd by Molmil
a1b3 GABA-A receptor + GABA
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
著者Miller, P.S, Kasaragod, V.B.
登録日2021-08-02
公開日2022-02-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors.
Nature, 602, 2022
7PBZ
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a1b3 GABA-A receptor + GABA + Zn2+
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ...
著者Miller, P.S, Kasaragod, V.B.
登録日2021-08-03
公開日2022-02-09
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors.
Nature, 602, 2022
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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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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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
7Z6O
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BU of 7z6o by Molmil
X-Ray studies of Ku70/80 reveal the binding site for IP6
分子名称: DNA (5'-D(*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*T)-3'), DNA (5'-D(P*AP*AP*AP*TP*AP*AP*AP*CP*TP*AP*AP*AP*AP*AP*C)-3'), INOSITOL HEXAKISPHOSPHATE, ...
著者Varela, P.F, Charbonnier, J.B.
登録日2022-03-14
公開日2023-08-30
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
7ZT6
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BU of 7zt6 by Molmil
Cryo-EM structure of Ku 70/80 bound to inositol hexakisphosphate
分子名称: INOSITOL HEXAKISPHOSPHATE, X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
著者Kefala Stavridi, A, Chaplin, A.K, Blundell, T.L.
登録日2022-05-09
公開日2023-05-17
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction.
Nucleic Acids Res., 51, 2023
8ASC
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BU of 8asc by Molmil
Ku70/80 binds to the Ku-binding motif of PAXX
分子名称: DNA (5'-D(P*CP*GP*GP*AP*TP*CP*GP*AP*GP*GP*GP*CP*CP*CP*GP*AP*TP*AP*T)-3'), DNA (5'-D(P*GP*GP*GP*CP*CP*CP*TP*CP*GP*AP*TP*CP*CP*G)-3'), Protein PAXX, ...
著者Seif El Dahan, M, Ropars, V, Charbonnier, J.B.
登録日2022-08-19
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
8BOT
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BU of 8bot by Molmil
Cryo-EM structure of NHEJ supercomplex(trimer)
分子名称: DNA (24-MER), DNA (27-MER), DNA (28-MER), ...
著者Hardwick, S.W, Chaplin, A.K.
登録日2022-11-15
公開日2023-06-28
最終更新日2023-08-16
実験手法ELECTRON MICROSCOPY (7.76 Å)
主引用文献Cryo-EM structure of a DNA-PK trimer: higher order oligomerisation in NHEJ.
Structure, 31, 2023
8BR2
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BU of 8br2 by Molmil
CryoEM structure of the post-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(P*GP*CP*GP*AP*GP*CP*TP*CP*GP*AP*TP*GP*CP*AP*CP*CP*TP*CP*CP*A)-3'), ...
著者Appleby, R, Bollschweiler, D, Pellegrini, L.
登録日2022-11-22
公開日2023-05-03
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023
8BSC
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BU of 8bsc by Molmil
CryoEM structure of the RAD51 nucleoprotein filament in the presence of ADP and Ca2+
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, DNA repair protein RAD51 homolog 1
著者Appleby, R, Bollschweiler, D, Pellegrini, L.
登録日2022-11-24
公開日2023-05-03
最終更新日2023-05-31
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly.
Iscience, 26, 2023
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
5CP9
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BU of 5cp9 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with MB605
分子名称: 1,2-ETHANEDIOL, 3-(furan-2-yl)propanoic acid, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
登録日2015-07-21
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5COE
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BU of 5coe by Molmil
The structure of the NK1 fragment of HGF/SF complexed with HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Ascher, D.B, Chirgadze, D.Y, Blundell, T.L, Gherardi, E.
登録日2015-07-20
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5CSQ
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BU of 5csq by Molmil
The structure of the NK1 fragment of HGF/SF complexed with MOPS
分子名称: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
登録日2015-07-23
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5CS9
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BU of 5cs9 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with MES
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
登録日2015-07-23
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015
5CT1
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BU of 5ct1 by Molmil
The structure of the NK1 fragment of HGF/SF complexed with CHES
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hepatocyte growth factor
著者Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E.
登録日2015-07-23
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding.
Chem Sci, 6, 2015

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