6ZXV
 
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7RWN
 | | Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one | | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | Deposit date: | 2021-08-20 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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8V1V
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5J6Y
 | | Crystal structure of PA14 domain of MpAFP Antifreeze protein | | Descriptor: | Antifreeze protein, CALCIUM ION, alpha-D-glucopyranose, ... | | Authors: | Guo, S. | | Deposit date: | 2016-04-05 | | Release date: | 2017-06-07 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
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6WQS
 | | Xanthomonas citri Methionyl-tRNA synthetase in complex with REP8839 | | Descriptor: | 2-{[3-({[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methyl}amino)propyl]amino}quinolin-4(1H)-one, Methionine--tRNA ligase, ZINC ION | | Authors: | Mercaldi, G.F, Benedetti, C.E. | | Deposit date: | 2020-04-29 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular basis for diaryldiamine selectivity and competition with tRNA in a type 2 methionyl-tRNA synthetase from a Gram-negative bacterium.
J.Biol.Chem., 296, 2021
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6WQT
 | | Xanthomonas citri Methionyl-tRNA synthetase in complex with REP3123 | | Descriptor: | 5-[(3-{[(4R)-6,8-dibromo-3,4-dihydro-2H-1-benzopyran-4-yl]amino}propyl)amino]thieno[3,2-b]pyridin-7(6H)-one, Methionine--tRNA ligase, ZINC ION | | Authors: | Mercaldi, G.F, Benedetti, C.E. | | Deposit date: | 2020-04-29 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular basis for diaryldiamine selectivity and competition with tRNA in a type 2 methionyl-tRNA synthetase from a Gram-negative bacterium.
J.Biol.Chem., 296, 2021
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7OKD
 | | Crystal structure of human BCL6 BTB domain in complex with compound 25 | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ... | | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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7OKH
 | | Crystal structure of human BCL6 BTB domain in complex with compound 8f | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket.
J.Med.Chem., 64, 2021
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6ZG1
 | | SARM1 SAM1-2 domains | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y. | | Deposit date: | 2020-06-18 | | Release date: | 2020-11-11 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
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9B74
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6Z58
 | | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one, SODIUM ION, ... | | Authors: | Chaikuad, A, Benderitter, P, Hoflack, J, Denis, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-05-26 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of haspin (GSG2) in complex with macrocycle ODS2003791
To Be Published
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6Q6C
 | | Pore-modulating toxins exploit inherent slow inactivation to block K+ channels | | Descriptor: | 1,2-ETHANEDIOL, Kunitz-type conkunitzin-S1, NITRATE ION, ... | | Authors: | Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E. | | Deposit date: | 2018-12-10 | | Release date: | 2019-08-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Pore-modulating toxins exploit inherent slow inactivation to block K+channels.
Proc.Natl.Acad.Sci.USA, 116, 2019
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8EM3
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9FDL
 | | Crystal structure of the catalytic domain of an AA9 lytic polysaccharide monooxygenase from Thermothelomyces thermophilus (TtLPMO9F) | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kosinas, C, Dimarogona, M, Topakas, E. | | Deposit date: | 2024-05-17 | | Release date: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Mutational study of a lytic polysaccharide monooxygenase from Myceliophthora thermophila (MtLPMO9F): Structural insights into substrate specificity and regioselectivity.
Int.J.Biol.Macromol., 288, 2024
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7P9Y
 | | N-acetylglucosamine kinase from Plesiomonas shigelloides compexed with alpha-N-acetylglucosamine | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | | Authors: | Roy, S, Isupov, M.N, Harmer, N.J, Ames, J.R. | | Deposit date: | 2021-07-28 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases
J.Biol.Chem., 2022
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8ZSB
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9B4F
 | | Structure of human PSS1-P269S | | Descriptor: | CALCIUM ION, Phosphatidylserine synthase 1 | | Authors: | Long, T, Li, X. | | Deposit date: | 2024-03-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Molecular insights into human phosphatidylserine synthase 1 reveal its inhibition promotes LDL uptake.
Cell, 187, 2024
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9B0E
 | | Cryo-EM Structure of E.coli produced recombinant N-acetyltransferase 10 (NAT10) in complex with cytidine-amide-CoA bisubstrate probe and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, RNA cytidine acetyltransferase, [[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[[1-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-2-oxidanylidene-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | Authors: | Zhou, M, Marmorstein, R. | | Deposit date: | 2024-03-12 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Molecular Basis for RNA Cytidine Acetylation by NAT10.
Biorxiv, 2024
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8E44
 | | E. coli 50S ribosome bound to antibiotic analog SLC09 | | Descriptor: | 2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2022-08-17 | | Release date: | 2023-06-28 | | Last modified: | 2025-03-19 | | Method: | ELECTRON MICROSCOPY (2.53 Å) | | Cite: | SLC collection of antibiotic analogs
To Be Published
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6ZG0
 | | SARM1 SAM1-2 domains | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Dessau, M, Mim, C, Isupov, M.N, Zalk, R, Hons, M, Opatowsky, Y. | | Deposit date: | 2020-06-18 | | Release date: | 2020-11-11 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
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9AYM
 | | Cryo-EM Structure of E.coli produced recombinant N-acetyltransferase 10 (NAT10) in complex with cytidine-acetone-CoA bisubstrate probe | | Descriptor: | RNA cytidine acetyltransferase, [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-[2-[3-[1-[(2~{R},3~{R},4~{R},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]sulfanyl-2-oxidanylidene-propyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | Authors: | Zhou, M, Marmorstein, R. | | Deposit date: | 2024-03-08 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Molecular Basis for RNA Cytidine Acetylation by NAT10.
Biorxiv, 2024
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9B0I
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7RJQ
 | | Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with ILF3 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, CHLORIDE ION, ... | | Authors: | Fedorov, E, Islam, K, Ghosh, A. | | Deposit date: | 2021-07-21 | | Release date: | 2022-08-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
To Be Published
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7RJM
 | | Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with ILF3 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 3, Interleukin enhancer-binding factor 3 | | Authors: | Fedorov, E, Islam, K, Ghosh, A. | | Deposit date: | 2021-07-21 | | Release date: | 2022-08-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Uncovering the Bromodomain Interactome using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization
Biorxiv, 2021
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6O0R
 | | Crystal structure of the TIR domain from human SARM1 in complex with glycerol | | Descriptor: | GLYCEROL, Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Deerain, N, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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