7OTV
| DNA-PKcs in complex with wortmannin | Descriptor: | (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 | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTM
| Cryo-EM structure of DNA-PKcs in complex with NU7441 | Descriptor: | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTW
| DNA-PKcs in complex with AZD7648 | Descriptor: | 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 | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2022-02-09 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7PC0
| GABA-A receptor bound by a-Cobratoxin | Descriptor: | 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, ... | Authors: | Kasaragod, V.B, Miller, P.S. | Deposit date: | 2021-08-03 | Release date: | 2022-02-09 | Last modified: | 2022-03-02 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors. Nature, 602, 2022
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7PBD
| a1b3 GABA-A receptor + GABA | Descriptor: | 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, ... | Authors: | Miller, P.S, Kasaragod, V.B. | Deposit date: | 2021-08-02 | Release date: | 2022-02-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors. Nature, 602, 2022
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7PBZ
| a1b3 GABA-A receptor + GABA + Zn2+ | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ... | Authors: | Miller, P.S, Kasaragod, V.B. | Deposit date: | 2021-08-03 | Release date: | 2022-02-09 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Mechanisms of inhibition and activation of extrasynaptic alpha beta GABA A receptors. Nature, 602, 2022
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8BHR
| GABA-A receptor a5 homomer - a5V3 - RO7015738 | Descriptor: | 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 | Authors: | Miller, P.S, Malinauskas, T.M, Kasaragod, V.B. | Deposit date: | 2022-10-31 | Release date: | 2023-11-01 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8BHQ
| GABA-A receptor a5 homomer - a5V3 - RO7172670 | Descriptor: | 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 | Authors: | Miller, P.S, Malinauskas, T.M, Hardwick, S.W, Kasaragod, V.B. | Deposit date: | 2022-10-31 | Release date: | 2023-11-01 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8BGI
| GABA-A receptor a5 homomer - a5V1 - Flumazenil | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-5, Pregnanolone, ... | Authors: | Miller, P.S, Malinauskas, T.M, Omari, K.E, Aricescu, A.R. | Deposit date: | 2022-10-27 | Release date: | 2023-11-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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8BHG
| GABA-A receptor a5 heteromer - a5V2 - Bretazenil | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bretazenil, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Miller, P.S, Malinauskas, T.M, Omari, K.E, Aricescu, A.R. | Deposit date: | 2022-10-31 | Release date: | 2023-11-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | The molecular basis of drug selectivity for alpha 5 subunit-containing GABA A receptors. Nat.Struct.Mol.Biol., 30, 2023
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7Z6O
| X-Ray studies of Ku70/80 reveal the binding site for IP6 | Descriptor: | 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, ... | Authors: | Varela, P.F, Charbonnier, J.B. | Deposit date: | 2022-03-14 | Release date: | 2023-08-30 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Structural and functional basis of inositol hexaphosphate stimulation of NHEJ through stabilization of Ku-XLF interaction. Nucleic Acids Res., 51, 2023
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7ZT6
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8ASC
| Ku70/80 binds to the Ku-binding motif of PAXX | Descriptor: | 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, ... | Authors: | Seif El Dahan, M, Ropars, V, Charbonnier, J.B. | Deposit date: | 2022-08-19 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF. Sci Adv, 9, 2023
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8BOT
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8BR2
| CryoEM structure of the post-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+ | Descriptor: | 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'), ... | Authors: | Appleby, R, Bollschweiler, D, Pellegrini, L. | Deposit date: | 2022-11-22 | Release date: | 2023-05-03 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly. Iscience, 26, 2023
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8BSC
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8BQ2
| CryoEM structure of the pre-synaptic RAD51 nucleoprotein filament in the presence of ATP and Ca2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (30-MER), ... | Authors: | Appleby, R, Bollschweiler, D, Pellegrini, L. | Deposit date: | 2022-11-18 | Release date: | 2023-05-03 | Last modified: | 2023-05-31 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | A metal ion-dependent mechanism of RAD51 nucleoprotein filament disassembly. Iscience, 26, 2023
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8BHY
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8BHV
| DNA-PK XLF mediated dimer bound to PAXX | Descriptor: | DNA (24-MER), DNA (26-MER), DNA (27-MER), ... | Authors: | Hardwick, S.W, Chaplin, A.K. | Deposit date: | 2022-11-01 | Release date: | 2023-06-07 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.51 Å) | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF. Sci Adv, 9, 2023
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8BH3
| DNA-PK Ku80 mediated dimer bound to PAXX | Descriptor: | DNA (25-MER), DNA (26-MER), DNA (27-MER), ... | Authors: | Hardwick, S.W, Chaplin, A.K. | Deposit date: | 2022-10-28 | Release date: | 2023-06-07 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (4.55 Å) | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF. Sci Adv, 9, 2023
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5CP9
| The structure of the NK1 fragment of HGF/SF complexed with MB605 | Descriptor: | 1,2-ETHANEDIOL, 3-(furan-2-yl)propanoic acid, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-21 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 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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5COE
| The structure of the NK1 fragment of HGF/SF complexed with HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Ascher, D.B, Chirgadze, D.Y, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-20 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | 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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5CSQ
| The structure of the NK1 fragment of HGF/SF complexed with MOPS | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 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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5CS9
| The structure of the NK1 fragment of HGF/SF complexed with MES | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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5CT1
| The structure of the NK1 fragment of HGF/SF complexed with CHES | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Hepatocyte growth factor | Authors: | Sigurdardottir, A.G, Winter, A, Sobkowicz, A, Fragai, M, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L, Gherardi, E. | Deposit date: | 2015-07-23 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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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