5NQU
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![BU of 5nqu by Molmil](/molmil-images/mine/5nqu) | Tubulin Darpin cryo structure | Descriptor: | Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J. | Deposit date: | 2017-04-21 | Release date: | 2017-09-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
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7JVA
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![BU of 7jva by Molmil](/molmil-images/mine/7jva) | SARS-CoV-2 spike in complex with the S2A4 neutralizing antibody Fab fragment (local refinement of the receptor-binding domain and Fab variable domains) | Descriptor: | S2A4 Fab heavy chain, S2A4 Fab light chain, Spike glycoprotein, ... | Authors: | Park, Y.J, Tortorici, M.A, Walls, A.C, Czudnochowski, N, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D. | Deposit date: | 2020-08-20 | Release date: | 2020-10-14 | Last modified: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mapping Neutralizing and Immunodominant Sites on the SARS-CoV-2 Spike Receptor-Binding Domain by Structure-Guided High-Resolution Serology. Cell, 183, 2020
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8G1Z
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6NV9
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![BU of 6nv9 by Molmil](/molmil-images/mine/6nv9) | BACE1 in complex with a macrocyclic inhibitor | Descriptor: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 1, SULFATE ION | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | Deposit date: | 2019-02-04 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. Biochemistry, 58, 2019
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4WWN
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![BU of 4wwn by Molmil](/molmil-images/mine/4wwn) | Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor | Descriptor: | N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2014-11-11 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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7TVG
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6NW3
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![BU of 6nw3 by Molmil](/molmil-images/mine/6nw3) | BACE1 in complex with a macrocyclic inhibitor | Descriptor: | Beta-secretase 1, N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, SULFATE ION | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | Deposit date: | 2019-02-05 | Release date: | 2019-10-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Development of an Efficient Enzyme Production and Structure-Based Discovery Platform for BACE1 Inhibitors. Biochemistry, 58, 2019
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5K7S
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![BU of 5k7s by Molmil](/molmil-images/mine/5k7s) | MicroED structure of proteinase K at 1.6 A resolution | Descriptor: | CALCIUM ION, Proteinase K | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | Deposit date: | 2016-05-26 | Release date: | 2017-04-05 | Last modified: | 2018-08-22 | Method: | ELECTRON CRYSTALLOGRAPHY (1.6 Å) | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED. Nat. Methods, 14, 2017
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5M0P
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![BU of 5m0p by Molmil](/molmil-images/mine/5m0p) | Crystal structure of cytochrome P450 OleT F79A in complex with arachidonic acid | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, Terminal olefin-forming fatty acid decarboxylase, ... | Authors: | Tee, K.L, Munro, A, Matthews, S, Leys, D, Levy, C. | Deposit date: | 2016-10-05 | Release date: | 2017-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Catalytic Determinants of Alkene Production by the Cytochrome P450 Peroxygenase OleTJE. J. Biol. Chem., 292, 2017
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6W1G
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![BU of 6w1g by Molmil](/molmil-images/mine/6w1g) | Crystal structure of the hydroxyglutarate synthase from Pseudomonas putida | Descriptor: | Hydroxyglutarate synthase, NICKEL (II) ION | Authors: | Pereira, J.H, Thompson, M.G, Blake-Hedges, J.M, Keasling, J.D, Adams, P.D. | Deposit date: | 2020-03-04 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | An iron (II) dependent oxygenase performs the last missing step of plant lysine catabolism. Nat Commun, 11, 2020
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5LFP
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![BU of 5lfp by Molmil](/molmil-images/mine/5lfp) | Crystal Structure of the Bacterial Proteasome Activator Bpa of Mycobacterium tuberculosis (space group P6322, SeMet) | Descriptor: | Bacterial proteasome activator | Authors: | Bolten, M, Delley, C.L, Leibundgut, M, Boehringer, D, Ban, N, Weber-Ban, E. | Deposit date: | 2016-07-04 | Release date: | 2016-11-23 | Last modified: | 2016-12-14 | Method: | X-RAY DIFFRACTION (3.303 Å) | Cite: | Structural Analysis of the Bacterial Proteasome Activator Bpa in Complex with the 20S Proteasome. Structure, 24, 2016
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6NHH
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![BU of 6nhh by Molmil](/molmil-images/mine/6nhh) | Rhodobacter sphaeroides bc1 with azoxystrobin | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Cytochrome b, Cytochrome c1, ... | Authors: | Xia, D, Zhou, F, Yu, C.A. | Deposit date: | 2018-12-21 | Release date: | 2019-06-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of bacterial cytochromebc1in complex with azoxystrobin reveals a conformational switch of the Rieske iron-sulfur protein subunit. J.Biol.Chem., 294, 2019
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5KDM
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6QYY
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![BU of 6qyy by Molmil](/molmil-images/mine/6qyy) | The crystal structure of head fiber gp8.5 N base in bacteriophage phi29 | Descriptor: | Capsid fiber protein, SULFATE ION | Authors: | Xu, J, Wang, D, Gui, M, Xiang, Y. | Deposit date: | 2019-03-10 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural assembly of the tailed bacteriophage φ29. Nat Commun, 10, 2019
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7AMA
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![BU of 7ama by Molmil](/molmil-images/mine/7ama) | IL-17A in complex with small molecule modulators | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide | Authors: | Hakansson, M, Kimbung, R, Logan, D, Walse, U.B, de Groot, M.J, Andrews, M.D, Dack, K.N, Lambert, M. | Deposit date: | 2020-10-08 | Release date: | 2022-04-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of an Oral, Rule of 5 Compliant, Interleukin 17A Protein-Protein Interaction Modulator for the Potential Treatment of Psoriasis and Other Inflammatory Diseases. J.Med.Chem., 65, 2022
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5LKH
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![BU of 5lkh by Molmil](/molmil-images/mine/5lkh) | Cryo-EM structure of the Tc toxin TcdA1 in its pore state (obtained by flexible fitting) | Descriptor: | TcdA1 | Authors: | Gatsogiannis, C, Merino, F, Prumbaum, D, Roderer, D, Leidreiter, F, Meusch, D, Raunser, S. | Deposit date: | 2016-07-22 | Release date: | 2016-08-31 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Membrane insertion of a Tc toxin in near-atomic detail. Nat.Struct.Mol.Biol., 23, 2016
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6NYR
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7PQ5
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![BU of 7pq5 by Molmil](/molmil-images/mine/7pq5) | Photorhabdus laumondii T6SS-associated Rhs protein carrying the Tre23 toxin domain | Descriptor: | Tre23 | Authors: | Jurenas, D, Talachia Rosa, L, Rey, M, Chamot-Rooke, J, Fronzes, R, Cascales, E. | Deposit date: | 2021-09-16 | Release date: | 2021-12-01 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Mounting, structure and autocleavage of a type VI secretion-associated Rhs polymorphic toxin. Nat Commun, 12, 2021
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6G7J
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![BU of 6g7j by Molmil](/molmil-images/mine/6g7j) | Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 457-646 fs state structure | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ... | Authors: | Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J. | Deposit date: | 2018-04-06 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser. Science, 361, 2018
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6C6C
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![BU of 6c6c by Molmil](/molmil-images/mine/6c6c) | Structure of glycolipid aGSA[20,6P] in complex with mouse CD1d | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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7Q1S
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![BU of 7q1s by Molmil](/molmil-images/mine/7q1s) | A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB_var | Descriptor: | 1,2-ETHANEDIOL, apCC-Di-A_var, apCC-Di-B_var | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | Deposit date: | 2021-10-20 | Release date: | 2022-07-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
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6C6H
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![BU of 6c6h by Molmil](/molmil-images/mine/6c6h) | Structure of glycolipid aGSA[8,P5m] in complex with mouse CD1d | Descriptor: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Zajonc, D.M, Wang, J. | Deposit date: | 2018-01-18 | Release date: | 2019-01-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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7PHM
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5CRX
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5LQF
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![BU of 5lqf by Molmil](/molmil-images/mine/5lqf) | CDK1/CyclinB1/CKS2 in complex with NU6102 | Descriptor: | Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, G2/mitotic-specific cyclin-B1, ... | Authors: | Coxon, C.R, Anscombe, E, Harnor, S.J, Martin, M.P, Carbain, B.J, Hardcastle, I.R, Harlow, L.K, Korolchuk, S, Matheson, C.J, Noble, M.E, Newell, D.R, Turner, D.M, Sivaprakasam, M, Wang, L.Z, Wong, C, Golding, B.T, Griffin, R.J, Endicott, J.A, Cano, C. | Deposit date: | 2016-08-17 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Cyclin-Dependent Kinase (CDK) Inhibitors: Structure-Activity Relationships and Insights into the CDK-2 Selectivity of 6-Substituted 2-Arylaminopurines. J. Med. Chem., 60, 2017
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