6P9U
 
 | | Crystal structure of human thrombin mutant W215A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, ZINC ION | | Authors: | Pelc, L.A, Koester, S.K, Chen, Z, Di Cera, E. | | Deposit date: | 2019-06-10 | | Release date: | 2019-09-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin.
Sci Rep, 9, 2019
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6NPF
 | | Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite. | | Descriptor: | Enolase, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Erlandsen, H, Krucinska, J, Lombardo, M, Wright, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate.
Sci Rep, 9, 2019
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6NUP
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6OH7
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6OH8
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6OH6
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6PNR
 | | A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ | | Descriptor: | Alpha-glucosidase, SULFATE ION, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | | Authors: | Jarva, M.A, Lingford, J.P, John, A, Goddard-Borger, E.D. | | Deposit date: | 2019-07-03 | | Release date: | 2020-07-08 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ
To Be Published
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8JJR
 | | Cryo-EM structure of Symbiodinium photosystem I | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Zhao, L.S, Wang, N, Li, K, Zhang, Y.Z, Liu, L.N. | | Deposit date: | 2023-05-31 | | Release date: | 2024-05-15 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Architecture of symbiotic dinoflagellate photosystem I-light-harvesting supercomplex in Symbiodinium.
Nat Commun, 15, 2024
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8CAG
 | | Hypoxanthine-guanine phosphoribosyltransferase from E. coli | | Descriptor: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Kostromina, M.A, Zayats, E.A, Kuranova, I.P, Esipov, R.S. | | Deposit date: | 2023-01-24 | | Release date: | 2023-02-01 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Hypoxanthine-guanine phosphoribosyltransferase from E. coli
To Be Published
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7Q9N
 | | Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol | | Descriptor: | 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin | | Authors: | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | Deposit date: | 2021-11-12 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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6OTR
 | | Dimeric E.coli YoeB bound to Thermus thermophilus 70S post-cleavage (AAU) | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Pavelich, I.P, Hoffer, E.D, Maehigashi, T, Dunham, C.M. | | Deposit date: | 2019-05-03 | | Release date: | 2019-08-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019
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4TXR
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4TXQ
 | | Crystal structure of LIP5 N-terminal domain complexed with CHMP1B MIM | | Descriptor: | Charged multivesicular body protein 1b, Vacuolar protein sorting-associated protein VTA1 homolog | | Authors: | Vild, C.J, Xu, Z. | | Deposit date: | 2014-07-04 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
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8C5V
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4TXP
 | | Crystal structure of LIP5 N-terminal domain | | Descriptor: | Vacuolar protein sorting-associated protein VTA1 homolog | | Authors: | Vild, C.J, Xu, Z. | | Deposit date: | 2014-07-04 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
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6OXA
 | | Dimeric E.coli YoeB bound to Thermus thermophilus 70S pre-cleavage (AAU) | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Pavelich, I.J, Hoffer, E.D, Maehigashi, T, Dunham, C.M. | | Deposit date: | 2019-05-13 | | Release date: | 2019-08-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019
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8EMM
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6OXI
 | | Dimeric E.coli YoeB bound to Thermus thermophilus 70S post-cleavage (UAA) | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | Authors: | Pavelich, I.J, Hoffer, E.D, Maehigashi, T, Dunham, C.M. | | Deposit date: | 2019-05-13 | | Release date: | 2019-08-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.495 Å) | | Cite: | Monomeric YoeB toxin retains RNase activity but adopts an obligate dimeric form for thermal stability.
Nucleic Acids Res., 47, 2019
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8BEO
 | | Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP | | Descriptor: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, ... | | Authors: | Shaanan, B, Binshtein, E. | | Deposit date: | 2022-10-21 | | Release date: | 2023-11-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
Not Published
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8C8F
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7Q9L
 | | Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol | | Descriptor: | 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol, GLYCEROL, SODIUM ION, ... | | Authors: | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | Deposit date: | 2021-11-12 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7QFM
 | | Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | | Descriptor: | 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | | Deposit date: | 2021-12-06 | | Release date: | 2022-12-21 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
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7QP5
 | | Crystal Structure of E. coli FhuF | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, Ferric iron reductase protein FhuF | | Authors: | Trindade, I.B, Rollo, F, Matias, P.M, Moe, E, Louro, R.O. | | Deposit date: | 2022-01-03 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The structure of a novel ferredoxin: FhuF, a ferric-siderophore reductase from E. coli K-12 with a novel 2Fe-2S cluster coordination
Biorxiv, 2023
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6XE3
 | | Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site. | | Descriptor: | (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2020-06-11 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
To be Published
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5NSD
 | | Co-crystal structure of NAMPT dimer with KPT-9274 | | Descriptor: | (~{E})-3-(6-azanylpyridin-3-yl)-~{N}-[[5-[4-[4,4-bis(fluoranyl)piperidin-1-yl]carbonylphenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide, GLYCEROL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Neggers, J.E, Kwanten, B, Dierckx, T, Noguchi, H, Voet, A, Vercruysse, T, Baloglu, E, Senapedis, W, Jacquemyn, M, Daelemans, D. | | Deposit date: | 2017-04-26 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.046 Å) | | Cite: | Target identification of small molecules using large-scale CRISPR-Cas mutagenesis scanning of essential genes.
Nat Commun, 9, 2018
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