8ADV
| Lipidic alpha-synuclein fibril - polymorph L1B | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8ADS
| Lipidic alpha-synuclein fibril - polymorph L2B | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8AEX
| Lipidic alpha-synuclein fibril - polymorph L3A | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-14 | Release date: | 2022-10-12 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.76 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8ADU
| Lipidic alpha-synuclein fibril - polymorph L1A | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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8ADW
| Lipidic alpha-synuclein fibril - polymorph L1C | Descriptor: | Alpha-synuclein | Authors: | Frieg, B, Antonschmidt, L, Dienemann, C, Geraets, J.A, Najbauer, E.E, Matthes, D, de Groot, B.L, Andreas, L.B, Becker, S, Griesinger, C, Schroeder, G.F. | Deposit date: | 2022-07-11 | Release date: | 2022-10-12 | Last modified: | 2022-11-23 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | The 3D structure of lipidic fibrils of alpha-synuclein. Nat Commun, 13, 2022
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7ZR2
| Crystal structure of a chimeric protein mimic of SARS-CoV-2 Spike HR1 in complex with HR2 | Descriptor: | Spike protein S2', Spike protein S2',Chimeric protein mimic of SARS-CoV-2 Spike HR1 | Authors: | Camara-Artigas, A, Gavira, J.A, Cano-Munoz, M, Polo-Megias, D, Conejero-Lara, F. | Deposit date: | 2022-05-03 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Novel chimeric proteins mimicking SARS-CoV-2 spike epitopes with broad inhibitory activity. Int.J.Biol.Macromol., 222, 2022
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6GJF
| Ancestral endocellulase Cel5A | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ENDOGLUCANASE, ... | Authors: | Gavira, J.A, Perez-Jimenez, R, Barruetabena-Garate, N. | Deposit date: | 2018-05-16 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Resurrection of efficient Precambrian endoglucanases for lignocellulosic biomass hydrolysis Commun Chem, 2019
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6GHZ
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6GNV
| Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a isopropyl methyl indole aryl sulphonamide ligand | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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7ZV5
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6GU6
| CDK1/Cks2 in complex with Dinaciclib | Descriptor: | 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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7ZV7
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7ZV8
| Crystal structure of SARS Cov-2 main protease in complex with an inhibitor 58 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, OCTANOIC ACID (CAPRYLIC ACID), ... | Authors: | Rahimova, R, Di Micco, S, Marquez, J.A. | Deposit date: | 2022-05-13 | Release date: | 2022-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.937 Å) | Cite: | Rational design of the zonulin inhibitor AT1001 derivatives as potential anti SARS-CoV-2. Eur.J.Med.Chem., 244, 2022
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6GVL
| Second pair of Fibronectin type III domains of integrin beta4 bound to the bullous pemphigoid antigen BP230 (BPAG1e) | Descriptor: | Dystonin, Integrin beta-4 | Authors: | Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M. | Deposit date: | 2018-06-21 | Release date: | 2019-03-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes. Structure, 27, 2019
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6GNH
| Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand | Descriptor: | Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-30 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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6GU4
| CDK1/CyclinB/Cks2 in complex with CGP74514A | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GUH
| CDK2 in complex with AZD5438 | Descriptor: | 1,2-ETHANEDIOL, 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GI3
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8A4I
| Crystal structure of SALL4 zinc finger cluster 4 with AT-rich DNA | Descriptor: | DNA (5'-D(*GP*AP*TP*AP*TP*TP*AP*AP*TP*AP*TP*C)-3'), MAGNESIUM ION, Sal-like protein 4, ... | Authors: | Watson, J.A, Pantier, R, Jayachandran, U, Chhatbar, K, Alexander-Howden, B, Kruusvee, V, Prendecki, M, Bird, A, Cook, A.G. | Deposit date: | 2022-06-11 | Release date: | 2023-01-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Structure of SALL4 zinc finger domain reveals link between AT-rich DNA binding and Okihiro syndrome. Life Sci Alliance, 6, 2023
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6GUC
| CDK2/CyclinA in complex with SU9516 | Descriptor: | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6GNE
| Catalytic domain of Starch Synthase IV from Arabidopsis thaliana bound to ADP and acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Probable starch synthase 4, ... | Authors: | Cuesta-Seijo, J.A, Ruzanski, C, Krucewicz, K, Striebeck, A, Palcic, M.M. | Deposit date: | 2018-05-30 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structures of theCatalyticDomain ofArabidopsis thalianaStarch Synthase IV, of Granule Bound Starch Synthase From CLg1 and of Granule Bound Starch Synthase I ofCyanophora paradoxaIllustrate Substrate Recognition in Starch Synthases. Front Plant Sci, 9, 2018
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6GNS
| Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand | Descriptor: | Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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6GHY
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6GUK
| CDK2 in complex with CGP74514A | Descriptor: | Cyclin-dependent kinase 2, ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine | Authors: | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | Deposit date: | 2018-06-19 | Release date: | 2018-12-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition. Cell Chem Biol, 26, 2019
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6H3E
| Receptor-bound Ghrelin conformation | Descriptor: | Appetite-regulating hormone, octan-1-amine | Authors: | Ferre, G, Damian, M, M'Kadmi, C, Saurel, O, Czaplicki, G, Demange, P, Marie, J, Fehrentz, J.A, Baneres, J.L, Milon, A. | Deposit date: | 2018-07-18 | Release date: | 2019-07-24 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of G protein-coupled receptor-bound ghrelin reveal the critical role of the octanoyl chain. Proc.Natl.Acad.Sci.USA, 116, 2019
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