8S49
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![BU of 8s49 by Molmil](/molmil-images/mine/8s49) | CdaA-B06 complex | Descriptor: | 2-(4-fluorophenyl)acetohydrazide, Diadenylate cyclase, SODIUM ION | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2024-02-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CdaA-B06 complex To Be Published
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8RGZ
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![BU of 8rgz by Molmil](/molmil-images/mine/8rgz) | Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT101 Fab molecules. | Descriptor: | Envelope glycoprotein B, HDIT101 Fab heavy chain, HDIT101 Fab light chain | Authors: | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | Deposit date: | 2023-12-14 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus. J.Biomed.Sci., 31, 2024
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6KNO
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2XNF
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![BU of 2xnf by Molmil](/molmil-images/mine/2xnf) | The Mediator Med25 activator interaction domain: Structure and cooperative binding of VP16 subdomains | Descriptor: | MEDIATOR OF RNA POLYMERASE II TRANSCRIPTION SUBUNIT 25 | Authors: | Vojnic, E, Mourao, A, Seizl, M, Simon, B, Wenzeck, L, Lariviere, L, Baumli, S, Meisterernst, M, Sattler, M, Cramer, P. | Deposit date: | 2010-08-02 | Release date: | 2011-03-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Vp16 Binding of the Mediator Med25 Activator Interaction Domain. Nat.Struct.Mol.Biol., 18, 2011
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8S45
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![BU of 8s45 by Molmil](/molmil-images/mine/8s45) | CdaA-E05 complex | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol, Diadenylate cyclase | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2024-02-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | CdaA-E05 complex To Be Published
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6KMY
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![BU of 6kmy by Molmil](/molmil-images/mine/6kmy) | Structure of single disulfide peptide Czon1107-P5A | Descriptor: | Czon1107-P5A | Authors: | Sarma, S.P, Madhan Kumar, M. | Deposit date: | 2019-08-01 | Release date: | 2020-04-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure and allosteric activity of a single-disulfide conopeptide fromConus zonatusat human alpha 3 beta 4 and alpha 7 nicotinic acetylcholine receptors. J.Biol.Chem., 295, 2020
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6KN2
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8RH0
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![BU of 8rh0 by Molmil](/molmil-images/mine/8rh0) | Trimeric HSV-1F gB ectodomain in postfusion conformation with three bound HDIT102 Fab molecules. | Descriptor: | Envelope glycoprotein B, HDIT102 Fab heavy chain | Authors: | Kalbermatter, D, Seyfizadeh, N, Imhof, T, Ries, M, Mueller, C, Jenner, L, Blumenschein, E, Yendrzheyevskiy, A, Moog, K, Eckert, D, Engel, R, Diebolder, P, Chami, M, Krauss, J, Schaller, T, Arndt, M. | Deposit date: | 2023-12-14 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.44 Å) | Cite: | Development of a highly effective combination monoclonal antibody therapy against Herpes simplex virus. J.Biomed.Sci., 31, 2024
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6KN3
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8S48
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![BU of 8s48 by Molmil](/molmil-images/mine/8s48) | CdaA-C11 complex | Descriptor: | 2-(1H-indol-3-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]ethanamine, Diadenylate cyclase | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2024-02-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | CdaA-C11 complex To Be Published
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8S4B
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![BU of 8s4b by Molmil](/molmil-images/mine/8s4b) | CdaA-C08 complex | Descriptor: | (4-methoxycarbonylphenyl)methylazanium, Diadenylate cyclase | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2024-02-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | CdaA-C08 complex To Be Published
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8S46
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![BU of 8s46 by Molmil](/molmil-images/mine/8s46) | CdaA-E01 complex | Descriptor: | 2-chlorobenzyl carbamimidothioate, Diadenylate cyclase, SODIUM ION | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2024-02-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | CdaA-E01 complex To Be Published
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2Y7Z
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![BU of 2y7z by Molmil](/molmil-images/mine/2y7z) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-[(3S)-1-[(1S)-1-DIMETHYLAMINO-2,3-DIHYDRO-1H-INDEN-5-YL]-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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6KTW
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![BU of 6ktw by Molmil](/molmil-images/mine/6ktw) | structure of EanB with hercynine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-29 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.931 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
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8S4C
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![BU of 8s4c by Molmil](/molmil-images/mine/8s4c) | CdaA-H04 complex | Descriptor: | DAMINOZIDE, Diadenylate cyclase | Authors: | Neumann, P, Ficner, R. | Deposit date: | 2024-02-21 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CdaA-H04 complex To Be Published
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8RQG
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2Y82
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![BU of 2y82 by Molmil](/molmil-images/mine/2y82) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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5KO0
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![BU of 5ko0 by Molmil](/molmil-images/mine/5ko0) | Human Islet Amyloid Polypeptide Segment 15-FLVHSSNNFGA-25 Determined by MicroED | Descriptor: | THIOCYANATE ION, hIAPP(15-25)WT | Authors: | Krotee, P.A.L, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Shi, D, Nannenga, B.L, Hattne, J, Reyes, F.E, Gonen, T, Eisenberg, D.S. | Deposit date: | 2016-06-28 | Release date: | 2016-12-21 | Last modified: | 2024-03-06 | Method: | ELECTRON CRYSTALLOGRAPHY (1.4 Å) | Cite: | Atomic structures of fibrillar segments of hIAPP suggest tightly mated beta-sheets are important for cytotoxicity. Elife, 6, 2017
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2YNV
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![BU of 2ynv by Molmil](/molmil-images/mine/2ynv) | Cys221 oxidized, Mono zinc GIM-1 - GIM-1-Ox. Crystal structures of Pseudomonas aeruginosa GIM-1: active site plasticity in metallo-beta- lactamases | Descriptor: | GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION | Authors: | Borra, P.S, Samuelsen, O, Spencer, J, Lorentzen, M.S, Leiros, H.-K.S. | Deposit date: | 2012-10-18 | Release date: | 2013-07-24 | Last modified: | 2018-06-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases. Antimicrob.Agents Chemother., 57, 2013
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2YOP
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![BU of 2yop by Molmil](/molmil-images/mine/2yop) | Long wavelength S-SAD structure of FAM3B PANDER | Descriptor: | GLYCEROL, PROTEIN FAM3B | Authors: | Johansson, P, Bernstrom, J, Gorman, T, Oster, L, Backstrom, S, Schweikart, F, Xu, B, Xue, Y, Holmberg Schiavone, L. | Deposit date: | 2012-10-26 | Release date: | 2013-01-30 | Last modified: | 2013-02-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Fam3B Pander and Fam3C Ilei Represent a Distinct Class of Signaling Molecules with a Non-Cytokine-Like Fold. Structure, 21, 2013
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8THA
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![BU of 8tha by Molmil](/molmil-images/mine/8tha) | 1TEL, non-compressed, double-helical crystal form | Descriptor: | Transcription factor ETV6,Activated CDC42 kinase 1 | Authors: | Smith, C.P, Wilson, E.W, Pedroza Romo, M.J, Averett, J.C, Moody, J.D. | Deposit date: | 2023-07-14 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | 1TEL, non-compressed, double-helical crystal form To Be Published
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5KOS
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![BU of 5kos by Molmil](/molmil-images/mine/5kos) | Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.-C, Lane, W. | Deposit date: | 2016-07-01 | Release date: | 2016-11-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of TAK-272: A Novel, Potent, and Orally Active Renin Inhibitor. Acs Med.Chem.Lett., 7, 2016
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8DPO
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![BU of 8dpo by Molmil](/molmil-images/mine/8dpo) | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ... | Authors: | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | Deposit date: | 2022-07-15 | Release date: | 2023-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide To Be Published
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2Y7C
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![BU of 2y7c by Molmil](/molmil-images/mine/2y7c) | Atomic model of the Ocr-bound methylase complex from the Type I restriction-modification enzyme EcoKI (M2S1). Based on fitting into EM map 1534. | Descriptor: | GENE 0.3 PROTEIN, TYPE I RESTRICTION ENZYME ECOKI M PROTEIN, TYPE-1 RESTRICTION ENZYME ECOKI SPECIFICITY PROTEIN | Authors: | Kennaway, C.K, Obarska-Kosinska, A, White, J.H, Tuszynska, I, Cooper, L.P, Bujnicki, J.M, Trinick, J, Dryden, D.T.F. | Deposit date: | 2011-01-31 | Release date: | 2011-02-09 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | The Structure of M.Ecoki Type I DNA Methyltransferase with a DNA Mimic Antirestriction Protein. Nucleic Acids Res., 37, 2009
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2Y81
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![BU of 2y81 by Molmil](/molmil-images/mine/2y81) | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | Descriptor: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2R)-2--PYRROLIDINYL] PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | Deposit date: | 2011-02-02 | Release date: | 2011-03-16 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs. Bioorg.Med.Chem.Lett., 21, 2011
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