7QUI
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![BU of 7qui by Molmil](/molmil-images/mine/7qui) | Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue | Descriptor: | (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-18 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.352 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
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6XXD
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7ZYG
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![BU of 7zyg by Molmil](/molmil-images/mine/7zyg) | CryoEM structure of Ku heterodimer bound to DNA, PAXX and XLF | Descriptor: | DNA, Non-homologous end-joining factor 1, PHOSPHATE ION, ... | Authors: | Hardwick, S.W, Kefala-Stavridi, A, Chirgadze, D.Y, Blundell, T.L, Chaplin, A.K. | Deposit date: | 2022-05-24 | Release date: | 2023-06-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF. Sci Adv, 9, 2023
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7QU6
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![BU of 7qu6 by Molmil](/molmil-images/mine/7qu6) | Crystal structure of the N-terminal domain of Siglec-8 | Descriptor: | Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-17 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
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4QSV
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![BU of 4qsv by Molmil](/molmil-images/mine/4qsv) | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymidine | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-07-06 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain MedChemComm, 5, 2014
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6HO0
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![BU of 6ho0 by Molmil](/molmil-images/mine/6ho0) | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41325 | Descriptor: | 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator EthR | Authors: | Wintjens, R, Wohlkonig, A. | Deposit date: | 2018-09-17 | Release date: | 2018-12-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR. Biochim Biophys Acta Proteins Proteom, 1867, 2018
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7LVG
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6HO6
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7LVF
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7QV0
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![BU of 7qv0 by Molmil](/molmil-images/mine/7qv0) | Covalent complex between Scalindua brodae amxFabZ and amxACP | Descriptor: | Acyl carrier protein, Beta-hydroxyacyl-(Acyl-carrier-protein) dehydratase, S-[2-[3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (Z)-hex-2-enethioate | Authors: | Barends, T, Dietl, A. | Deposit date: | 2022-01-19 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structures of an unusual 3-hydroxyacyl dehydratase (FabZ) from a ladderane-producing organism with an unexpected substrate preference. J.Biol.Chem., 299, 2023
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8A1M
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![BU of 8a1m by Molmil](/molmil-images/mine/8a1m) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with maleimide analogue 4 | Descriptor: | 1,2-ETHANEDIOL, 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione, CHLORIDE ION, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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6RVZ
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![BU of 6rvz by Molmil](/molmil-images/mine/6rvz) | Crystal structure of ANGEL2, a 2',3'-cyclic phosphatase, in complex with adenosine-2',3'-vanadate | Descriptor: | ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Kroupova, A, Jinek, M. | Deposit date: | 2019-06-03 | Release date: | 2020-05-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | ANGEL2 is a member of the CCR4 family of deadenylases with 2',3'-cyclic phosphatase activity. Science, 369, 2020
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7LYZ
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![BU of 7lyz by Molmil](/molmil-images/mine/7lyz) | PROTEIN MODEL BUILDING BY THE USE OF A CONSTRAINED-RESTRAINED LEAST-SQUARES PROCEDURE | Descriptor: | HEN EGG WHITE LYSOZYME | Authors: | Moult, J, Yonath, A, Sussman, J, Herzberg, O, Podjarny, A, Traub, W. | Deposit date: | 1977-05-06 | Release date: | 1977-06-20 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Protein Model Building by the Use of a Constrained-Restrained Least-Squares Procedure J.Appl.Crystallogr., 16, 1983
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6HOF
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5KAW
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6ZP8
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![BU of 6zp8 by Molmil](/molmil-images/mine/6zp8) | Yeast 20S proteasome in complex with glidobactin-like natural product HB335 | Descriptor: | (2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B. | Deposit date: | 2020-07-08 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii. Chembiochem, 22, 2021
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8Q5N
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![BU of 8q5n by Molmil](/molmil-images/mine/8q5n) | Apo form of restriction endonuclease NhoI. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Restriction endonuclease (NhoI) | Authors: | Rafalski, D, Krakowska, A, Bochtler, M. | Deposit date: | 2023-08-09 | Release date: | 2024-07-17 | Last modified: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural analysis of the BisI family of modification dependent restriction endonucleases. Nucleic Acids Res., 52, 2024
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6E3A
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![BU of 6e3a by Molmil](/molmil-images/mine/6e3a) | tRNA 2'-phosphotransferase | Descriptor: | COENZYME A, Probable RNA 2'-phosphotransferase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | Deposit date: | 2018-07-13 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of tRNA splicing enzyme Tpt1 illuminates the mechanism of RNA 2'-PO4recognition and ADP-ribosylation. Nat Commun, 10, 2019
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8A1R
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![BU of 8a1r by Molmil](/molmil-images/mine/8a1r) | cryo-EM structure of thioredoxin glutathione reductase in complex with a non-competitive inhibitor | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[3-[[[(1~{R},2~{R},3~{R},5~{S})-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]methyl]indol-1-yl]oxane-3,4,5-triol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Ardini, M, Angelucci, F, Fata, F, Gabriele, F, Effantin, G, Ling, W, Williams, D.L, Petukhova, V.Z, Petukhov, P.A. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Non-covalent inhibitors of thioredoxin glutathione reductase with schistosomicidal activity in vivo. Nat Commun, 14, 2023
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8A1O
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![BU of 8a1o by Molmil](/molmil-images/mine/8a1o) | Crystal structure of the transpeptidase LdtMt2 from Mycobacterium tuberculosis in complex with acrylamide analogue 8 | Descriptor: | (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | de Munnik, M, Lang, P.A, Brem, J, Schofield, C.J. | Deposit date: | 2022-06-01 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | High-throughput screen with the l,d-transpeptidase Ldt Mt2 of Mycobacterium tuberculosis reveals novel classes of covalently reacting inhibitors. Chem Sci, 14, 2023
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6RU8
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![BU of 6ru8 by Molmil](/molmil-images/mine/6ru8) | Crystal structure of Casein Kinase I delta (CK1d) in complex with triple phosphorylated p63 PAD3P peptide | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, ... | Authors: | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis. Nat.Chem.Biol., 16, 2020
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8FL5
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6HQD
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![BU of 6hqd by Molmil](/molmil-images/mine/6hqd) | Cytochrome P450-153 from Pseudomonas sp. 19-rlim | Descriptor: | Cytochrome P450, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Fiorentini, F, Mattevi, A. | Deposit date: | 2018-09-24 | Release date: | 2018-12-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Extreme Structural Plasticity in the CYP153 Subfamily of P450s Directs Development of Designer Hydroxylases. Biochemistry, 57, 2018
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5JVK
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![BU of 5jvk by Molmil](/molmil-images/mine/5jvk) | Structural insights into a family 39 glycoside hydrolase from the gut symbiont Bacteroides cellulosilyticus WH2. | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, SULFATE ION, ... | Authors: | Ali-Ahmad, A, Garron, M.L, Zamboni, V, Lenfant, N, Bourne, Y, Vincent, F. | Deposit date: | 2016-05-11 | Release date: | 2016-12-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into a family 39 glycoside hydrolase from the gut symbiont Bacteroides cellulosilyticus WH2. J. Struct. Biol., 197, 2017
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6HVO
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![BU of 6hvo by Molmil](/molmil-images/mine/6hvo) | Crystal structure of human PCNA in complex with three peptides of p12 subunit of human polymerase delta | Descriptor: | DNA polymerase delta subunit 4, Proliferating cell nuclear antigen, SULFATE ION | Authors: | Gonzalez-Magana, A, Romano-Moreno, M, Rojas, A.L, Blanco, F.J, De Biasio, A. | Deposit date: | 2018-10-11 | Release date: | 2019-01-23 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The p12 subunit of human polymerase delta uses an atypical PIP box for molecular recognition of proliferating cell nuclear antigen (PCNA). J.Biol.Chem., 294, 2019
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