5M33
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![BU of 5m33 by Molmil](/molmil-images/mine/5m33) | Structural tuning of CD81LEL (space group P21) | Descriptor: | 1,2-ETHANEDIOL, CD81 antigen | Authors: | Cunha, E.S, Sfriso, P, Rojas, A.L, Roversi, P, Hospital, A, Orozco, M, Abrescia, N.G. | Deposit date: | 2016-10-14 | Release date: | 2016-12-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Mechanism of Structural Tuning of the Hepatitis C Virus Human Cellular Receptor CD81 Large Extracellular Loop. Structure, 25, 2017
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6G54
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![BU of 6g54 by Molmil](/molmil-images/mine/6g54) | Crystal structure of ERK2 covalently bound to SM1-71 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Mitogen-activated protein kinase 1, ... | Authors: | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-03-29 | Release date: | 2019-02-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome. Cell Chem Biol, 26, 2019
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8PVD
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![BU of 8pvd by Molmil](/molmil-images/mine/8pvd) | Structure of catalase determined by cryoEM at 100 keV | Descriptor: | Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | McMullan, G, Naydenova, K, Mihaylov, D, Peet, M.J, Wilson, H, Yamashita, K, Dickerson, J.L, Chen, S, Cannone, G, Lee, Y, Hutchings, K.A, Gittins, O, Sobhy, M, Wells, T, El-Gomati, M.M, Dalby, J, Meffert, M, Schulze-Briese, C, Henderson, R, Russo, C.J. | Deposit date: | 2023-07-17 | Release date: | 2023-11-29 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure determination by cryoEM at 100 keV. Proc.Natl.Acad.Sci.USA, 120, 2023
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6NKH
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6TT5
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![BU of 6tt5 by Molmil](/molmil-images/mine/6tt5) | Crystal structure of DCLRE1C/Artemis | Descriptor: | 1,2-ETHANEDIOL, NICKEL (II) ION, Protein artemis, ... | Authors: | Yosaatmadja, Y, Goubin, S, Newman, J.A, Mukhopadhyay, S.M.M, Dannerfjord, A.A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2019-12-23 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and mechanistic insights into the Artemis endonuclease and strategies for its inhibition. Nucleic Acids Res., 49, 2021
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8PS1
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![BU of 8ps1 by Molmil](/molmil-images/mine/8ps1) | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASamn sample) | Descriptor: | COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | Deposit date: | 2023-07-13 | Release date: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots. Cell, 186, 2023
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7SKM
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![BU of 7skm by Molmil](/molmil-images/mine/7skm) | Complex between S. aureus aureolysin and wt IMPI. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mendes, S.R, Eckhard, U, Rodriguez-Banqueri, A, Guevara, T, Gomis-Ruth, F.X. | Deposit date: | 2021-10-21 | Release date: | 2022-01-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An engineered protein-based submicromolar competitive inhibitor of the Staphylococcus aureus virulence factor aureolysin Comput Struct Biotechnol J, 20, 2022
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6PTT
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![BU of 6ptt by Molmil](/molmil-images/mine/6ptt) | Soluble model of Arabidopsis thaliana CuA (Tt3LAt) | Descriptor: | Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION | Authors: | Lisa, M.N, Giannini, E, Llases, M.E, Alzari, P.M, Vila, A.J. | Deposit date: | 2019-07-16 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways. Chem.Commun.(Camb.), 56, 2020
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6WOV
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![BU of 6wov by Molmil](/molmil-images/mine/6wov) | Cryo-EM structure of recombinant mouse Ryanodine Receptor type 2 wild type in complex with FKBP12.6 | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION | Authors: | Iyer, K.A, Hu, Y, Nayak, A.R, Kurebayashi, N, Murayama, T, Samso, M. | Deposit date: | 2020-04-25 | Release date: | 2020-08-05 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (5.1 Å) | Cite: | Structural mechanism of two gain-of-function cardiac and skeletal RyR mutations at an equivalent site by cryo-EM. Sci Adv, 6, 2020
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5LUU
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![BU of 5luu by Molmil](/molmil-images/mine/5luu) | Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment | Descriptor: | 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-11 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
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8CU1
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![BU of 8cu1 by Molmil](/molmil-images/mine/8cu1) | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 500ns, with eightfold extrapolation of structure factor differences | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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8DA3
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![BU of 8da3 by Molmil](/molmil-images/mine/8da3) | Coevolved affibody-Z domain pair LL1.c1 | Descriptor: | Affibody LL1.FILF, Immunoglobulin G-binding protein A, MALONATE ION, ... | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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8CU3
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![BU of 8cu3 by Molmil](/molmil-images/mine/8cu3) | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 200ns, with eightfold extrapolation of structure factor differences | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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8Q3Y
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8Q71
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![BU of 8q71 by Molmil](/molmil-images/mine/8q71) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67 | Descriptor: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P. | Deposit date: | 2023-08-15 | Release date: | 2023-12-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.322 Å) | Cite: | Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability. J.Med.Chem., 66, 2023
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8DA5
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![BU of 8da5 by Molmil](/molmil-images/mine/8da5) | Coevolved affibody-Z domain pair LL1.c4 | Descriptor: | GLYCEROL, Immunoglobulin G-binding protein A, affibody LL1.FIVM | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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5LVO
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![BU of 5lvo by Molmil](/molmil-images/mine/5lvo) | Human PDK1 Kinase Domain in Complex with Allosteric Compound PSE10 Bound to the PIF-Pocket | Descriptor: | 2-oxidanylidenepropyl ~{N}-(2-chloranyl-6-fluoranyl-phenyl)carbonyl-~{N}'-(4-chlorophenyl)carbamimidothioate, 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
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8DA7
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![BU of 8da7 by Molmil](/molmil-images/mine/8da7) | Coevolved affibody-Z domain pair LL1.c6 | Descriptor: | Immunoglobulin G-binding protein A, MALONATE ION, affibody LL1.FIFV | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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7SEC
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![BU of 7sec by Molmil](/molmil-images/mine/7sec) | Crystal structure of human Fibrillarin in complex with compound 1a | Descriptor: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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8DA8
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![BU of 8da8 by Molmil](/molmil-images/mine/8da8) | Coevolved affibody-Z domain pair LL2.c1 | Descriptor: | Affibody LL2.FIIK, GLYCEROL, Immunoglobulin G-binding protein A | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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8DAC
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![BU of 8dac by Molmil](/molmil-images/mine/8dac) | Coevolved affibody-Z domain pair LL2.c22 | Descriptor: | Affibody LL2.FILV, GLYCEROL, Immunoglobulin G-binding protein A | Authors: | Jude, K.M, Yang, A, Garcia, K.C. | Deposit date: | 2022-06-13 | Release date: | 2023-07-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Deploying synthetic coevolution and machine learning to engineer protein-protein interactions. Science, 381, 2023
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5LWL
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![BU of 5lwl by Molmil](/molmil-images/mine/5lwl) | MaeR D54A mutant response regulator bound to sulfate | Descriptor: | SULFATE ION, Transcriptional regulatory protein | Authors: | Miguel-Romero, L, Casino, P, Landete, J.M, Monedero, V, Zuniga, M, Marina, A. | Deposit date: | 2016-09-18 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The malate sensing two-component system MaeKR is a non-canonical class of sensory complex for C4-dicarboxylates. Sci Rep, 7, 2017
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8CU2
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![BU of 8cu2 by Molmil](/molmil-images/mine/8cu2) | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 100ns, with eightfold extrapolation of structure factor differences | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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8CU4
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![BU of 8cu4 by Molmil](/molmil-images/mine/8cu4) | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 1us, with eightfold extrapolation of structure factor differences | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | Deposit date: | 2022-05-16 | Release date: | 2023-07-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Direct visualization of electric field-stimulated ion conduction in a potassium channel To Be Published
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7SE8
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![BU of 7se8 by Molmil](/molmil-images/mine/7se8) | Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | Deposit date: | 2021-09-30 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin. Pharmaceuticals, 15, 2021
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