7ZAD
 
 | | BRD4 in complex with FragLite12 | | Descriptor: | 4-iodanylbenzamide, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7KFQ
 | | Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to 1H-Indole-3-Carboxylic Acid | | Descriptor: | 1H-INDOLE-3-CARBOXYLIC ACID, SULFATE ION, Transcriptional regulator, ... | | Authors: | Walton, W.G, Redinbo, M.R, Dangl, J.L. | | Deposit date: | 2020-10-14 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
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6Z8S
 | | Copper transporter OprC | | Descriptor: | COPPER (I) ION, Putative copper transport outer membrane porin OprC | | Authors: | Bhamidimarri, S.P, van den Berg, B. | | Deposit date: | 2020-06-02 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
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6HMT
 | | Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 2 | | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen Receptor, ... | | Authors: | Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. | | Deposit date: | 2018-09-12 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
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6B55
 | | Crystal structure of the Plant Defensin NaD1 complexed with phosphatidic acid | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, 1,2-ETHANEDIOL, Flower-specific defensin, ... | | Authors: | Jarva, M, Phan, K, Humble, C, Lay, F.T, Hulett, M, Kvansakul, M. | | Deposit date: | 2017-09-28 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | X-ray structure of a carpet-like antimicrobial defensin-phospholipid membrane disruption complex.
Nat Commun, 9, 2018
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6HN7
 | | Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit. | | Descriptor: | Redirecting phage packaging protein C (RppC), Terminase small subunit | | Authors: | Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R. | | Deposit date: | 2018-09-14 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Mol.Cell, 75, 2019
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8QJQ
 | | SmNuc1 nuclease from Stenotrophomonas maltophilia in complex with cytidine - 5' - monophosphate as an inhibitor. | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Adamkova, K, Koval, T, Kolenko, P, Dohnalek, J. | | Deposit date: | 2023-09-13 | | Release date: | 2024-09-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Substrate preference, RNA binding and active site versatility of Stenotrophomonas maltophilia nuclease SmNuc1, explained by a structural study.
Febs J., 2024
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7Z56
 | | Crystal Structure of the Ring Nuclease 0455 from Sulfolobus islandicus (Sis0455) in its apo form | | Descriptor: | CRISPR-associated protein | | Authors: | Molina, R, Martin-Garcia, R, Lopez-Mendez, B, Jensen, A.L.G, Marchena-Hurtado, J, Stella, S, Montoya, G. | | Deposit date: | 2022-03-08 | | Release date: | 2022-11-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Molecular basis of cyclic tetra-oligoadenylate processing by small standalone CRISPR-Cas ring nucleases.
Nucleic Acids Res., 50, 2022
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7PKK
 | | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | | Descriptor: | (2R,4R)-1-cyclopropylcarbonyl-4-[[(2S,4S)-4-fluoranylpyrrolidin-2-yl]carbonylamino]-N-[[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | | Deposit date: | 2021-08-25 | | Release date: | 2022-09-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
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7KFS
 | | Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Benzoic Acid | | Descriptor: | BENZOIC ACID, SULFATE ION, Transcriptional regulator, ... | | Authors: | Walton, W.G, Redinbo, M.R, Dangl, J.L. | | Deposit date: | 2020-10-14 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome.
Nat Microbiol, 7, 2022
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6ZAN
 | | Isopenicillin N synthase in complex with Fe, the oxygen surrogate NO and ACV. | | Descriptor: | FE (III) ION, Isopenicillin N synthase, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | Deposit date: | 2020-06-05 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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7Z9O
 | | ATAD2 in complex with PepLite-Tyr | | Descriptor: | (2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-21 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7ZA7
 | | BRD4 in complex with FragLite5 | | Descriptor: | 4-iodanylpyridin-2-amine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7ZA9
 | | BRD4 in complex with FragLite7 | | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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7YOB
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6Z8Q
 | | Copper transporter OprC | | Descriptor: | Putative copper transport outer membrane porin OprC, SILVER ION | | Authors: | Bhamidimarri, S.P, van den Berg, B. | | Deposit date: | 2020-06-02 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
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6ZAO
 | | Isopenicillin N synthase structure in complex with Fe and IPN exposed to dioxygen. | | Descriptor: | FE (III) ION, ISOPENICILLIN N, Isopenicillin N synthase, ... | | Authors: | Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J. | | Deposit date: | 2020-06-05 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021
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7Z9J
 | | ATAD2 in complex with PepLite-Gly | | Descriptor: | (~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-21 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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6Z8Z
 | | Copper transporter OprC | | Descriptor: | Putative copper transport outer membrane porin OprC | | Authors: | Bhamidimarri, S.P, van den Berg, B. | | Deposit date: | 2020-06-02 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
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7YKE
 | | Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 4,6-sulfate | | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose, Chondroitin sulfate ABC endolyase, MAGNESIUM ION | | Authors: | Takashima, M, Watanabe, I, Miyanaga, A, Eguchi, T. | | Deposit date: | 2022-07-22 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Biochemical and crystallographic assessments of the effect of 4,6-O-disulfated disaccharide moieties in chondroitin sulfate E on chondroitinase ABC I activity.
Febs J., 290, 2023
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7KGZ
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6Z2S
 | | Crystal structure of adhibin analogue-bound myosin-2 | | Descriptor: | 3,6-dibromo-1-(hydroxymethyl)carbazole, ACETATE ION, ADP METAVANADATE, ... | | Authors: | Ewert, W, Knoelker, H.-J, Tsiavaliaris, G, Preller, M. | | Deposit date: | 2020-05-18 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The synthetic carbazole adhibin acts as selective myosin class-IX inhibitor in lung cancer cells
To Be Published
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6Z7K
 | | Crystal structure of CTX-M-15 in complex with the imine form of hydrolysed tazobactam | | Descriptor: | (2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | | Deposit date: | 2020-05-31 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 2022
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7ZAQ
 | | BRD4 in complex with FragLite19 | | Descriptor: | 4-bromo-2-methoxyphenol, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | | Deposit date: | 2022-03-22 | | Release date: | 2022-11-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.11 Å) | | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions.
J.Med.Chem., 65, 2022
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6Z8T
 | | Copper transporter OprC | | Descriptor: | Putative copper transport outer membrane porin OprC, SILVER ION | | Authors: | Bhamidimarri, S.P, van den Berg, B. | | Deposit date: | 2020-06-02 | | Release date: | 2021-06-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Acquisition of ionic copper by the bacterial outer membrane protein OprC through a novel binding site.
Plos Biol., 19, 2021
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