7P6H
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6THD
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![BU of 6thd by Molmil](/molmil-images/mine/6thd) | Multiple Genomic RNA-Coat Protein Contacts Play Vital Roles in the Assembly of Infectious Enterovirus-E | Descriptor: | Genome polyprotein, MYRISTIC ACID, SULFATE ION | Authors: | Chandler-Bostock, R, Mata, C.P, Bingham, R, Dykeman, E.J, Meng, B, Tuthill, T.J, Rowlands, D.J, Ranson, N.A, Twarock, R, Stockley, P.G. | Deposit date: | 2019-11-19 | Release date: | 2020-12-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.23 Å) | Cite: | Assembly of infectious enteroviruses depends on multiple, conserved genomic RNA-coat protein contacts. Plos Pathog., 16, 2020
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7P8H
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![BU of 7p8h by Molmil](/molmil-images/mine/7p8h) | chicken GRIFIN bound to blood group tetrasaccharide B (type 1) | Descriptor: | Galectin, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Ruiz, F.M, Romero, A. | Deposit date: | 2021-07-22 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Structural Characterization of Rat Galectin-5, an N-Tailed Monomeric Proto-Type-like Galectin. Biomolecules, 11, 2021
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8W15
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7P6T
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![BU of 7p6t by Molmil](/molmil-images/mine/7p6t) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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7P6S
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![BU of 7p6s by Molmil](/molmil-images/mine/7p6s) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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8VL9
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![BU of 8vl9 by Molmil](/molmil-images/mine/8vl9) | Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue | Descriptor: | CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ... | Authors: | Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G. | Deposit date: | 2024-01-11 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A small molecule VHL molecular glue degrader for cysteine dioxygenase 1 To Be Published
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7P6R
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![BU of 7p6r by Molmil](/molmil-images/mine/7p6r) | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | Deposit date: | 2021-07-17 | Release date: | 2022-03-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH. Nat.Struct.Mol.Biol., 29, 2022
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6FSO
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![BU of 6fso by Molmil](/molmil-images/mine/6fso) | Crystal Structure of TGT in complex with methyl({[5-(pyridin-3-yloxy)furan-2-yl]methyl})amine | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2018-02-20 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.449 Å) | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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8WQM
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![BU of 8wqm by Molmil](/molmil-images/mine/8wqm) | Complex structure of AtHPPD with Atovaquone | Descriptor: | 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | Deposit date: | 2023-10-11 | Release date: | 2024-03-13 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.796 Å) | Cite: | Complex structure of AtHPPD with Atovaquone To Be Published
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8W9Q
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![BU of 8w9q by Molmil](/molmil-images/mine/8w9q) | Structure of partial Banna virus | Descriptor: | VP10, VP2, VP4, ... | Authors: | Li, Z, Cao, S. | Deposit date: | 2023-09-05 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Cryo-EM structures of Banna virus in multiple states reveal stepwise detachment of viral spikes. Nat Commun, 15, 2024
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8VLX
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![BU of 8vlx by Molmil](/molmil-images/mine/8vlx) | HTT in complex with HAP40 and a small molecule. | Descriptor: | 40-kDa huntingtin-associated protein, Huntingtin, N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea | Authors: | Poweleit, N, Boudet, J, Doherty, E. | Deposit date: | 2024-01-12 | Release date: | 2024-03-06 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Discovery of a Small Molecule Ligand to the Huntingtin/HAP40 complex To Be Published
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8VLQ
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![BU of 8vlq by Molmil](/molmil-images/mine/8vlq) | Structure of PmHMGR bound to mevalonate, CoA and NAD 5 minutes after reaction initiation at pH 9 | Descriptor: | (R)-MEVALONATE, (R)-mevaldehyde, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Purohit, V, Steussy, C.N, Stauffacher, C.V. | Deposit date: | 2024-01-12 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | pH-dependent reaction triggering in PmHMGR crystals for time-resolved crystallography. Biophys.J., 123, 2024
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7P0X
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![BU of 7p0x by Molmil](/molmil-images/mine/7p0x) | Crystal structure of Thioredoxin reductase from Brugia Malayi | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Fata, F, Ardini, M, Silvestri, I, Gabriele, F, Cheng, Q, Arner, E.S.J, Williams, D.L. | Deposit date: | 2021-06-30 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Biochemical and structural characterizations of thioredoxin reductase selenoproteins of the parasitic filarial nematodes Brugia malayi and Onchocerca volvulus. Redox Biol, 51, 2022
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7OU6
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![BU of 7ou6 by Molmil](/molmil-images/mine/7ou6) | Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | Descriptor: | Protein O-GlcNAcase, ~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide | Authors: | Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L. | Deposit date: | 2021-06-11 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications J.Am.Chem.Soc., 144, 2022
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8U9F
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![BU of 8u9f by Molmil](/molmil-images/mine/8u9f) | Crystal structure of Bacteroides thetaiotamicron BT1285 in complex with NaI | Descriptor: | 1,2-ETHANEDIOL, Endo-beta-N-acetylglucosaminidase, IODIDE ION, ... | Authors: | Sastre, D.E, Navarro, M.V.A.S, Sundberg, E.J. | Deposit date: | 2023-09-19 | Release date: | 2024-05-29 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate. Nat Commun, 15, 2024
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7OY9
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7OP6
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![BU of 7op6 by Molmil](/molmil-images/mine/7op6) | Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine | Descriptor: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ... | Authors: | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2021-05-29 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases. Org.Biomol.Chem., 20, 2022
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7P0O
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![BU of 7p0o by Molmil](/molmil-images/mine/7p0o) | mitoNEET bound to M1 molecule | Descriptor: | 2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, 2-benzamido-4-[(2~{S})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, CDGSH iron-sulfur domain-containing protein 1, ... | Authors: | Livnah, O, Eisenberg-Domovich, Y, Marjault, H.B, Nechushtai, R. | Deposit date: | 2021-06-30 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters. Commun Biol, 5, 2022
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7P0P
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![BU of 7p0p by Molmil](/molmil-images/mine/7p0p) | NAF-1 bound to M1 molecule | Descriptor: | 2-benzamido-4-[(2~{R})-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-3-carboxylic acid, CDGSH iron-sulfur domain-containing protein 2, FE2/S2 (INORGANIC) CLUSTER | Authors: | Livnah, O, Eisenberg-Domovich, Y, Marjault, H.B, Nechushtai, R. | Deposit date: | 2021-06-30 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters. Commun Biol, 5, 2022
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7SMZ
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![BU of 7smz by Molmil](/molmil-images/mine/7smz) | X-ray crystal structure of CYP142A3 from Mycobacterium Marinum in complex with 4-cholesten-3-one | Descriptor: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ... | Authors: | Ghith, A, Bruning, J.B, Bell, S.G. | Deposit date: | 2021-10-27 | Release date: | 2022-09-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum. Acs Infect Dis., 8, 2022
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8UY1
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1MDF
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![BU of 1mdf by Molmil](/molmil-images/mine/1mdf) | CRYSTAL STRUCTURE OF DhbE IN ABSENCE OF SUBSTRATE | Descriptor: | 2,3-dihydroxybenzoate-AMP ligase, SULFATE ION | Authors: | May, J.J, Kessler, N, Marahiel, M.A, Stubbs, M.T. | Deposit date: | 2002-08-07 | Release date: | 2002-09-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of DhbE, an archetype for aryl acid activating domains of modular nonribosomal peptide synthetases. Proc.Natl.Acad.Sci.USA, 99, 2002
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7SNI
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![BU of 7sni by Molmil](/molmil-images/mine/7sni) | Structure of G6PD-D200N tetramer bound to NADP+ and G6P | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, Glucose-6-phosphate 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wei, X, Marmorstein, R. | Deposit date: | 2021-10-28 | Release date: | 2022-07-13 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Allosteric role of a structural NADP + molecule in glucose-6-phosphate dehydrogenase activity. Proc.Natl.Acad.Sci.USA, 119, 2022
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8VAC
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![BU of 8vac by Molmil](/molmil-images/mine/8vac) | Cryogenic electron microscopy structure of human serum albumin in complex with teniposide | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside, Serum albumin | Authors: | Catalano, C, Lucier, K.W, To, D, Senko, S, Tran, N.L, Farwell, A.C, Silva, S.M, Dip, P.V, Poweleit, N, Scapin, G. | Deposit date: | 2023-12-11 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The CryoEM structure of human serum albumin in complex with ligands. J.Struct.Biol., 216, 2024
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