8T51
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![BU of 8t51 by Molmil](/molmil-images/mine/8t51) | Crystal structure of Fab 3.10C2 bound to TREM2 | Descriptor: | 3.10C2 Fab heavy chain, 3.10C2 Fab light chain, ACETATE ION, ... | Authors: | Hsu, P.L, Wallweber, H. | Deposit date: | 2023-06-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid affinity optimization of an anti-TREM2 clinical lead antibody by cross-lineage immune repertoire mining To Be Published
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7Z1I
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![BU of 7z1i by Molmil](/molmil-images/mine/7z1i) | Plant myrosinase TGG1 from Arabidopsis thaliana | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Gao, Y, Farmer, E, Jimenez-Sandoval, P, Santiago, J. | Deposit date: | 2022-02-24 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Plant myrosinase TGG1 from Arabidopsis thaliana To Be Published
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7OZK
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![BU of 7ozk by Molmil](/molmil-images/mine/7ozk) | CryoEM structure of human enterovirus 70 in complex with Pleconaril | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Fuzik, T, Plevka, P, Moravcova, J. | Deposit date: | 2021-06-28 | Release date: | 2022-07-27 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (2.31 Å) | Cite: | Structure of Human Enterovirus 70 and Its Inhibition by Capsid-Binding Compounds. J.Virol., 96, 2022
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7OZL
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![BU of 7ozl by Molmil](/molmil-images/mine/7ozl) | CryoEM structure of human enterovirus 70 in complex with WIN51711 | Descriptor: | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, Capsid protein VP1, Capsid protein VP2, ... | Authors: | Fuzik, T, Plevka, P, Moravcova, J. | Deposit date: | 2021-06-28 | Release date: | 2022-07-27 | Last modified: | 2022-09-28 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structure of Human Enterovirus 70 and Its Inhibition by Capsid-Binding Compounds. J.Virol., 96, 2022
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5YG4
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![BU of 5yg4 by Molmil](/molmil-images/mine/5yg4) | Plasmodium vivax SHMT bound with PLP-glycine and S-GS849 | Descriptor: | 2-[1-[(3~{S})-6'-azanyl-5'-cyano-7-fluoranyl-2,2,3'-trimethyl-spiro[1~{H}-indene-3,4'-2~{H}-pyrano[2,3-c]pyrazole]-5-yl]piperidin-4-yl]ethanoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F. | Deposit date: | 2017-09-22 | Release date: | 2018-06-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Potent Inhibitors of Plasmodial Serine Hydroxymethyltransferase (SHMT) Featuring a Spirocyclic Scaffold ChemMedChem, 13, 2018
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7Z6T
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![BU of 7z6t by Molmil](/molmil-images/mine/7z6t) | Aspergillus clavatus M36 protease without the propeptide | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Extracellular metalloproteinase mep, ... | Authors: | Wilkens, C, Qiu, J, Meyer, A.S, Morth, J.P. | Deposit date: | 2022-03-14 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Aspergillus clavatus M36 protease without the propeptide To Be Published
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5F0C
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![BU of 5f0c by Molmil](/molmil-images/mine/5f0c) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 4 at 1.87A resolution | Descriptor: | 3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide, HTH-type transcriptional regulator EthR, SULFATE ION | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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5IAO
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![BU of 5iao by Molmil](/molmil-images/mine/5iao) | |
5EZS
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![BU of 5ezs by Molmil](/molmil-images/mine/5ezs) | |
5IEG
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![BU of 5ieg by Molmil](/molmil-images/mine/5ieg) | Murine endoplasmic reticulum alpha-glucosidase II with N-9'-methoxynonyl-1-deoxynojirimycin. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Caputo, A.T, Roversi, P, Alonzi, D.S, Kiappes, J.L, Zitzmann, N. | Deposit date: | 2016-02-25 | Release date: | 2016-07-27 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Structures of mammalian ER alpha-glucosidase II capture the binding modes of broad-spectrum iminosugar antivirals. Proc.Natl.Acad.Sci.USA, 113, 2016
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5LWO
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![BU of 5lwo by Molmil](/molmil-images/mine/5lwo) | Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at 100K | Descriptor: | 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Loll, B, Consentius, P, Gohlke, U, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T. | Deposit date: | 2016-09-18 | Release date: | 2017-03-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.183 Å) | Cite: | Internal Dynamics of the 3-Pyrroline-N-Oxide Ring in Spin-Labeled Proteins. J Phys Chem Lett, 8, 2017
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6U5A
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![BU of 6u5a by Molmil](/molmil-images/mine/6u5a) | Crystal structure of Equine Serum Albumin complex with 6-MNA | Descriptor: | (6-methoxynaphthalen-2-yl)acetic acid, SULFATE ION, Serum albumin, ... | Authors: | Czub, M.P, Handing, K.B, Venkataramany, B.S, Cymborowski, M.T, Shabalin, I.G, Satchell, K.J, Joachimiak, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-27 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Albumin-Based Transport of Nonsteroidal Anti-Inflammatory Drugs in Mammalian Blood Plasma. J.Med.Chem., 63, 2020
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6ECI
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![BU of 6eci by Molmil](/molmil-images/mine/6eci) | Structure of the FAD binding protein MSMEG_5243 from Mycobacterium smegmatis | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase-related, ... | Authors: | Ahmed, F.H, Antoney, J, Carr, P.D, Jackson, C.J. | Deposit date: | 2018-08-07 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | FAD-sequestering proteins protect mycobacteria against hypoxic and oxidative stress. J. Biol. Chem., 294, 2019
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5EX2
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![BU of 5ex2 by Molmil](/molmil-images/mine/5ex2) | |
4HQI
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![BU of 4hqi by Molmil](/molmil-images/mine/4hqi) | Structure of O6-Benzyl-2'-deoxyguanosine opposite perimidinone-derived synthetic nucleoside in DNA duplex | Descriptor: | SPERMINE, STRONTIUM ION, Short modified nucleic acids | Authors: | Kowal, E.A, Lad, R, Pallan, P.S, Muffly, E, Wawrzak, Z, Egli, M, Sturla, S.J, Stone, M.P. | Deposit date: | 2012-10-25 | Release date: | 2013-07-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Recognition of O6-benzyl-2'-deoxyguanosine by a perimidinone-derived synthetic nucleoside: a DNA interstrand stacking interaction. Nucleic Acids Res., 41, 2013
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8T0V
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![BU of 8t0v by Molmil](/molmil-images/mine/8t0v) | Closed state of lysine 5,6-aminomutase from Thermoanaerobacter tengcongensis | Descriptor: | 5'-DEOXYADENOSINE, COBALAMIN, D-lysine 5,6-aminomutase alpha subunit, ... | Authors: | Tian, S, Voss, P, Pham, K, Klose, T. | Deposit date: | 2023-06-01 | Release date: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Catalysis in Motion: Large-Scale Domain Shift Enables Co-C Bond Homolysis in Lysine 5,6-Aminomutase To Be Published
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4QAB
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![BU of 4qab by Molmil](/molmil-images/mine/4qab) | X-RAY STRUCTURE of ACETYLCHOLINE BINDING PROTEIN (ACHBP) IN COMPLEX WITH 4-(MORPHOLIN-4-YL)-6-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(morpholin-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine, Acetylcholine-binding protein, ... | Authors: | Kaczanowska, K, Harel, M, Radic, Z, Changeux, J.-P, Finn, M.G, Taylor, P. | Deposit date: | 2014-05-03 | Release date: | 2014-07-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.984 Å) | Cite: | Structural basis for cooperative interactions of substituted 2-aminopyrimidines with the acetylcholine binding protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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5IQ7
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![BU of 5iq7 by Molmil](/molmil-images/mine/5iq7) | Crystal structure of 10E8-S74W Fab in complex with an HIV-1 gp41 peptide. | Descriptor: | 10E8-S74W Heavy Chain, 10E8-S74W Light Chain, gp41 MPER peptide | Authors: | Ofek, G, Kwon, Y.D, Caruso, W, Kwong, P.D. | Deposit date: | 2016-03-10 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2869 Å) | Cite: | Optimization of the Solubility of HIV-1-Neutralizing Antibody 10E8 through Somatic Variation and Structure-Based Design. J.Virol., 90, 2016
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5EZH
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![BU of 5ezh by Molmil](/molmil-images/mine/5ezh) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 21 at 1.7A resolution | Descriptor: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-26 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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4X3F
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![BU of 4x3f by Molmil](/molmil-images/mine/4x3f) | |
5EZQ
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![BU of 5ezq by Molmil](/molmil-images/mine/5ezq) | |
2MM3
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![BU of 2mm3 by Molmil](/molmil-images/mine/2mm3) | Solution NMR structure of the ternary complex of human ileal bile acid-binding protein with glycocholate and glycochenodeoxycholate | Descriptor: | GLYCOCHENODEOXYCHOLIC ACID, GLYCOCHOLIC ACID, Gastrotropin | Authors: | Horvath, G, Egyed, O, Bencsura, A, Simon, A, Tochtrop, G.P, DeKoster, G.T, Covey, D.F, Cistola, D.P, Toke, O. | Deposit date: | 2014-03-07 | Release date: | 2014-05-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural determinants of ligand binding in the ternary complex of human ileal bile acid binding protein with glycocholate and glycochenodeoxycholate obtained from solution NMR FEBS J., 283, 2016
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5F0F
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![BU of 5f0f by Molmil](/molmil-images/mine/5f0f) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 15 at 1.76A resolution | Descriptor: | 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile, HTH-type transcriptional regulator EthR, SULFATE ION | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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6ECY
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![BU of 6ecy by Molmil](/molmil-images/mine/6ecy) | |
5F27
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![BU of 5f27 by Molmil](/molmil-images/mine/5f27) | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 2 at 1.68A resolution | Descriptor: | HTH-type transcriptional regulator EthR, ~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-12-01 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.684 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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